smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000683445080 837329377 /nfs/dbraw/zinc/32/93/77/837329377.db2.gz AWISAMLRQZRODP-HNNXBMFYSA-N 0 1 394.519 3.890 20 10 GHCDMN CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000121012400 837878330 /nfs/dbraw/zinc/87/83/30/837878330.db2.gz DYZHWGKPRUWXCU-UHFFFAOYSA-N 0 1 396.457 3.852 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc(-c2ccc(Cl)cc2)n1 ZINC000728700220 839436857 /nfs/dbraw/zinc/43/68/57/839436857.db2.gz ZEKRIPWJVGQZNY-MHWRWJLKSA-N 0 1 381.844 3.925 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3CCCOC3)no2)C1 ZINC000580859113 840347632 /nfs/dbraw/zinc/34/76/32/840347632.db2.gz IBMRSWAMGXUJCF-INIZCTEOSA-N 0 1 380.492 3.733 20 10 GHCDMN CCc1ccc(F)cc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001125908737 841002803 /nfs/dbraw/zinc/00/28/03/841002803.db2.gz XVQLQERNCWYVJN-UHFFFAOYSA-N 0 1 387.474 3.599 20 10 GHCDMN CN(Cc1csc(Br)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000125832745 843482787 /nfs/dbraw/zinc/48/27/87/843482787.db2.gz FGYFCOUHZHRCGH-UHFFFAOYSA-N 0 1 381.339 3.979 20 10 GHCDMN CC[C@H](CNC(=O)N[C@H](C)c1cc(OC)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000728945451 843803512 /nfs/dbraw/zinc/80/35/12/843803512.db2.gz UCEOWPOWGARORF-VQIMIIECSA-N 0 1 397.519 3.598 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccccc3F)cc2F)CC1 ZINC000731327820 861566669 /nfs/dbraw/zinc/56/66/69/861566669.db2.gz BLTBSPCLFSULSD-INIZCTEOSA-N 0 1 387.474 3.527 20 10 GHCDMN CC[N@H+](CCOc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1[O-] ZINC001167511998 845925189 /nfs/dbraw/zinc/92/51/89/845925189.db2.gz GTCWPXQLQVFMQW-UHFFFAOYSA-N 0 1 394.265 3.784 20 10 GHCDMN CC[N@@H+](CCOc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1[O-] ZINC001167511998 845925196 /nfs/dbraw/zinc/92/51/96/845925196.db2.gz GTCWPXQLQVFMQW-UHFFFAOYSA-N 0 1 394.265 3.784 20 10 GHCDMN COCCC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC000435828769 850912212 /nfs/dbraw/zinc/91/22/12/850912212.db2.gz VDNAVGOSWPDUTM-UHFFFAOYSA-N 0 1 397.563 3.731 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000910344744 851139723 /nfs/dbraw/zinc/13/97/23/851139723.db2.gz KIWNNJDTBZZPDP-CSKARUKUSA-N 0 1 387.480 3.785 20 10 GHCDMN Cc1cnc(-c2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)cn1 ZINC000665022147 854861814 /nfs/dbraw/zinc/86/18/14/854861814.db2.gz NVCCPBICFRNXDL-UHFFFAOYSA-N 0 1 388.475 3.605 20 10 GHCDMN CN(C)c1ccc(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC000729494408 854870013 /nfs/dbraw/zinc/87/00/13/854870013.db2.gz PPUHIZOUTKJISP-UHFFFAOYSA-N 0 1 380.536 3.559 20 10 GHCDMN O=C(CNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)c1ccc([O-])c(O)c1 ZINC001170315193 881344619 /nfs/dbraw/zinc/34/46/19/881344619.db2.gz TTYKJZIXYBEXNQ-UHFFFAOYSA-N 0 1 379.460 3.512 20 10 GHCDMN C[C@H]1COCCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706371 873006797 /nfs/dbraw/zinc/00/67/97/873006797.db2.gz PLGQZWONWZVVOT-VIFPVBQESA-N 0 1 379.092 3.528 20 10 GHCDMN C[C@H]1COCCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706371 873006815 /nfs/dbraw/zinc/00/68/15/873006815.db2.gz PLGQZWONWZVVOT-VIFPVBQESA-N 0 1 379.092 3.528 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(C)cc3)cc2F)CC1 ZINC000730192468 860934904 /nfs/dbraw/zinc/93/49/04/860934904.db2.gz AOAMZACVPYFYND-UHFFFAOYSA-N 0 1 397.538 3.870 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@@H](C)C2)C1 ZINC000444282524 863800617 /nfs/dbraw/zinc/80/06/17/863800617.db2.gz OWQFVKITBVKMEQ-KRWDZBQOSA-N 0 1 385.577 3.619 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4cc(C)ccc4o3)CC2)cc1 ZINC000734142181 864032115 /nfs/dbraw/zinc/03/21/15/864032115.db2.gz SXXAOGXVKDLXIO-UHFFFAOYSA-N 0 1 380.492 3.769 20 10 GHCDMN COc1cc(F)ccc1N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000734475292 864259053 /nfs/dbraw/zinc/25/90/53/864259053.db2.gz MWKNDEAUZXABBB-UHFFFAOYSA-N 0 1 388.483 3.865 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)C(F)(F)F)C1 ZINC000444359103 865098664 /nfs/dbraw/zinc/09/86/64/865098664.db2.gz BCLZXYRYNRWCIL-CQSZACIVSA-N 0 1 381.442 3.722 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@H](CN(C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227996 865506420 /nfs/dbraw/zinc/50/64/20/865506420.db2.gz RPKCAGLLDLVGAD-KRWDZBQOSA-N 0 1 392.499 3.858 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@@H](CN(C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227996 865506427 /nfs/dbraw/zinc/50/64/27/865506427.db2.gz RPKCAGLLDLVGAD-KRWDZBQOSA-N 0 1 392.499 3.858 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C3CCCCCCC3)cc2F)CC1 ZINC000741559937 866595561 /nfs/dbraw/zinc/59/55/61/866595561.db2.gz ABOLCGSSXKEVMU-UHFFFAOYSA-N 0 1 375.532 3.944 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000741678104 866716626 /nfs/dbraw/zinc/71/66/26/866716626.db2.gz JNEXYCVTQJDATF-SFHVURJKSA-N 0 1 383.536 3.678 20 10 GHCDMN CCN(CC(=O)NCc1cccc(C)c1)Cc1cc(Br)ccc1O ZINC000743871021 868468193 /nfs/dbraw/zinc/46/81/93/868468193.db2.gz MNSFRLGPBQBKAO-UHFFFAOYSA-N 0 1 391.309 3.601 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000554148144 868798704 /nfs/dbraw/zinc/79/87/04/868798704.db2.gz PRMZTAQJPUCGBV-UHFFFAOYSA-N 0 1 382.508 3.743 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)CC[C@@H]21 ZINC000793713137 882371775 /nfs/dbraw/zinc/37/17/75/882371775.db2.gz ZLLASQGYBIQPOY-LPHOPBHVSA-N 0 1 383.492 3.772 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)CC[C@@H]21 ZINC000793713137 882371791 /nfs/dbraw/zinc/37/17/91/882371791.db2.gz ZLLASQGYBIQPOY-LPHOPBHVSA-N 0 1 383.492 3.772 20 10 GHCDMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000920866501 882425959 /nfs/dbraw/zinc/42/59/59/882425959.db2.gz FJPWZSPNOUTZFH-NVXWUHKLSA-N 0 1 397.519 3.593 20 10 GHCDMN CN(C)c1ccc(-c2nc(C(=O)NCc3[nH]nc4ccccc43)cs2)cc1 ZINC001193175504 870909099 /nfs/dbraw/zinc/90/90/99/870909099.db2.gz IGGVDIOJXCQYEK-UHFFFAOYSA-N 0 1 377.473 3.682 20 10 GHCDMN O=C(Nc1cc(Br)cc2n[nH]cc21)c1cc(O)c(O)c(Cl)c1 ZINC001193624352 871194380 /nfs/dbraw/zinc/19/43/80/871194380.db2.gz ACQMJDODCXNSHC-UHFFFAOYSA-N 0 1 382.601 3.642 20 10 GHCDMN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(O)c(O)c(Cl)c1 ZINC001193633659 871199663 /nfs/dbraw/zinc/19/96/63/871199663.db2.gz DJHABUBPYDOKAR-GFCCVEGCSA-N 0 1 376.623 3.521 20 10 GHCDMN COc1ccccc1CC1(CNC(=O)c2cc(O)c(O)c(Cl)c2)CCC1 ZINC001193633841 871200440 /nfs/dbraw/zinc/20/04/40/871200440.db2.gz IQIXXHFJOJMZGC-UHFFFAOYSA-N 0 1 375.852 3.903 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194431025 871712247 /nfs/dbraw/zinc/71/22/47/871712247.db2.gz BJBPTGZGSGAGNM-UHFFFAOYSA-N 0 1 391.832 3.786 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1cccc2c1OCCO2 ZINC000741136105 872277729 /nfs/dbraw/zinc/27/77/29/872277729.db2.gz DQDCHDVVEPPNHX-UHFFFAOYSA-N 0 1 388.489 3.639 20 10 GHCDMN COc1ccc(N(C)CCN(C)[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC001195788758 872663867 /nfs/dbraw/zinc/66/38/67/872663867.db2.gz ITNDUVOEWOSRGS-JOCHJYFZSA-N 0 1 381.520 3.567 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000775691177 872965570 /nfs/dbraw/zinc/96/55/70/872965570.db2.gz VLCRJWZZQMBVCQ-UHFFFAOYSA-N 0 1 378.860 3.512 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000775691177 872965585 /nfs/dbraw/zinc/96/55/85/872965585.db2.gz VLCRJWZZQMBVCQ-UHFFFAOYSA-N 0 1 378.860 3.512 20 10 GHCDMN CCCN(CCC)c1ccc(CN2CCC(NS(=O)(=O)CCC)CC2)cc1 ZINC000768265297 873197694 /nfs/dbraw/zinc/19/76/94/873197694.db2.gz WLWXYVUMRHCDFP-UHFFFAOYSA-N 0 1 395.613 3.607 20 10 GHCDMN C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913260 873681549 /nfs/dbraw/zinc/68/15/49/873681549.db2.gz XEWSMVKIWYVSHY-QAPCUYQASA-N 0 1 388.895 3.594 20 10 GHCDMN CC(C)CCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915470 873683387 /nfs/dbraw/zinc/68/33/87/873683387.db2.gz LCGMIOKJWYAOLR-MAUKXSAKSA-N 0 1 382.932 3.577 20 10 GHCDMN COc1ccc(N2CCC[N@@H+](Cc3cccc(Br)c3[O-])CC2)cc1 ZINC000768999476 873764111 /nfs/dbraw/zinc/76/41/11/873764111.db2.gz XTHNRKGFSGAZOI-UHFFFAOYSA-N 0 1 391.309 3.876 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008518 873770249 /nfs/dbraw/zinc/77/02/49/873770249.db2.gz ZGVOUULEHOBFOM-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008518 873770256 /nfs/dbraw/zinc/77/02/56/873770256.db2.gz ZGVOUULEHOBFOM-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CN(CCOC(=O)c1csc(Cc2ccc(N)cc2)n1)Cc1ccc(F)cc1 ZINC000769135489 873834056 /nfs/dbraw/zinc/83/40/56/873834056.db2.gz MMJYPBCFJKSBFD-UHFFFAOYSA-N 0 1 399.491 3.744 20 10 GHCDMN COc1ccc(N2CCN(CCN[C@H](C)c3csc(C(C)C)n3)CC2)cc1 ZINC000769411629 874029799 /nfs/dbraw/zinc/02/97/99/874029799.db2.gz DLZQDXNPFVPNPJ-QGZVFWFLSA-N 0 1 388.581 3.748 20 10 GHCDMN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c(O)c1 ZINC000769483209 874064351 /nfs/dbraw/zinc/06/43/51/874064351.db2.gz HANRWULDCBUZQR-QAPCUYQASA-N 0 1 378.513 3.916 20 10 GHCDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769499882 874107415 /nfs/dbraw/zinc/10/74/15/874107415.db2.gz SDTLGOBOCITUJP-KRWDZBQOSA-N 0 1 375.310 3.861 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770333583 874578861 /nfs/dbraw/zinc/57/88/61/874578861.db2.gz ZERRHOFSZKIADS-KRWDZBQOSA-N 0 1 392.515 3.606 20 10 GHCDMN CCOc1ccc(O)c(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000770312922 874591237 /nfs/dbraw/zinc/59/12/37/874591237.db2.gz RKNLEXJYVGTPND-SFHVURJKSA-N 0 1 394.471 3.932 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372751 874613054 /nfs/dbraw/zinc/61/30/54/874613054.db2.gz FUHDMKQHWVRCSX-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372751 874613060 /nfs/dbraw/zinc/61/30/60/874613060.db2.gz FUHDMKQHWVRCSX-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN COC(=O)CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000858128440 882866518 /nfs/dbraw/zinc/86/65/18/882866518.db2.gz NRKBNLFNRPESEX-MRXNPFEDSA-N 0 1 378.266 3.939 20 10 GHCDMN COC(=O)CC[C@@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000858128440 882866537 /nfs/dbraw/zinc/86/65/37/882866537.db2.gz NRKBNLFNRPESEX-MRXNPFEDSA-N 0 1 378.266 3.939 20 10 GHCDMN O=C(CCC[NH2+]Cc1c([O-])cccc1Br)N1CCc2ccccc21 ZINC000858134446 882870035 /nfs/dbraw/zinc/87/00/35/882870035.db2.gz QITWRIMQSMOYLM-UHFFFAOYSA-N 0 1 389.293 3.614 20 10 GHCDMN COCCOc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858149278 882885943 /nfs/dbraw/zinc/88/59/43/882885943.db2.gz FIHZHSDRMAYGJY-UHFFFAOYSA-N 0 1 380.282 3.778 20 10 GHCDMN COCCOc1cc(C)ccc1CNCc1c(O)cccc1Br ZINC000858149278 882885960 /nfs/dbraw/zinc/88/59/60/882885960.db2.gz FIHZHSDRMAYGJY-UHFFFAOYSA-N 0 1 380.282 3.778 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2ncccc21 ZINC000771065690 875017189 /nfs/dbraw/zinc/01/71/89/875017189.db2.gz OMXHZGYWPFTIFP-QGZVFWFLSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1)c1cccc2ncccc21 ZINC000771065690 875017197 /nfs/dbraw/zinc/01/71/97/875017197.db2.gz OMXHZGYWPFTIFP-QGZVFWFLSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1cccc2ncccc21 ZINC000771065690 875017204 /nfs/dbraw/zinc/01/72/04/875017204.db2.gz OMXHZGYWPFTIFP-QGZVFWFLSA-N 0 1 395.890 3.988 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCc3ccccc32)ccc1N1CCCCC1 ZINC000771200236 875081941 /nfs/dbraw/zinc/08/19/41/875081941.db2.gz QKAOJYPTFJEQJI-QFIPXVFZSA-N 0 1 381.476 3.509 20 10 GHCDMN CN(C)c1ccc(CNCc2cnc(NC(=O)OC(C)(C)C)s2)cc1F ZINC000282024963 875251035 /nfs/dbraw/zinc/25/10/35/875251035.db2.gz NVAUABOBOSGNOX-UHFFFAOYSA-N 0 1 380.489 3.985 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858353848 883043683 /nfs/dbraw/zinc/04/36/83/883043683.db2.gz MRSJZFJRYDFUKX-GOSISDBHSA-N 0 1 376.504 3.775 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3nnn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000850487087 876961071 /nfs/dbraw/zinc/96/10/71/876961071.db2.gz FJBFDGCVNRSUMI-CRAIPNDOSA-N 0 1 395.482 3.653 20 10 GHCDMN CCc1cccc(Cl)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000788960341 878467643 /nfs/dbraw/zinc/46/76/43/878467643.db2.gz GVCOSLMAYNITLN-SFHVURJKSA-N 0 1 385.939 3.894 20 10 GHCDMN Fc1cc(CN[C@H]2CCc3ccccc3-n3ccnc32)ccc1N1CCOCC1 ZINC000853093906 878810087 /nfs/dbraw/zinc/81/00/87/878810087.db2.gz MRFOWUSKVWHQEO-FQEVSTJZSA-N 0 1 392.478 3.625 20 10 GHCDMN COC[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCO1 ZINC000789382640 878875590 /nfs/dbraw/zinc/87/55/90/878875590.db2.gz MQHMCGQFMMCDMY-VQTJNVASSA-N 0 1 382.464 3.824 20 10 GHCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000795687851 912399156 /nfs/dbraw/zinc/39/91/56/912399156.db2.gz LHTIUJKVRKKALR-LJQANCHMSA-N 0 1 397.393 3.945 20 10 GHCDMN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000795687851 912399183 /nfs/dbraw/zinc/39/91/83/912399183.db2.gz LHTIUJKVRKKALR-LJQANCHMSA-N 0 1 397.393 3.945 20 10 GHCDMN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568177 912501545 /nfs/dbraw/zinc/50/15/45/912501545.db2.gz DNVZZURIEFXEHY-SNVBAGLBSA-N 0 1 391.103 3.718 20 10 GHCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568177 912501555 /nfs/dbraw/zinc/50/15/55/912501555.db2.gz DNVZZURIEFXEHY-SNVBAGLBSA-N 0 1 391.103 3.718 20 10 GHCDMN CCC1=C(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000790788106 879999949 /nfs/dbraw/zinc/99/99/49/879999949.db2.gz QGYGGSJDMVVOQV-MRXNPFEDSA-N 0 1 378.900 3.601 20 10 GHCDMN CCC1=C(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000790788106 879999956 /nfs/dbraw/zinc/99/99/56/879999956.db2.gz QGYGGSJDMVVOQV-MRXNPFEDSA-N 0 1 378.900 3.601 20 10 GHCDMN CCC1=C(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000790788106 879999967 /nfs/dbraw/zinc/99/99/67/879999967.db2.gz QGYGGSJDMVVOQV-MRXNPFEDSA-N 0 1 378.900 3.601 20 10 GHCDMN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1c(O)ccc(Cl)c1F ZINC000792170707 880960415 /nfs/dbraw/zinc/96/04/15/880960415.db2.gz WDFGIWJCGLHHES-INIZCTEOSA-N 0 1 391.748 3.948 20 10 GHCDMN Cc1cc2c(ncnc2N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)s1 ZINC000792180752 880968150 /nfs/dbraw/zinc/96/81/50/880968150.db2.gz SZHNTUWSSDQBAA-UHFFFAOYSA-N 0 1 392.887 3.820 20 10 GHCDMN Cc1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c(O)cc1Br ZINC001250120713 912709463 /nfs/dbraw/zinc/70/94/63/912709463.db2.gz OAHOCFKLCBHDCE-AWEZNQCLSA-N 0 1 382.220 3.742 20 10 GHCDMN O=C(NCc1ccnc(N2CCCC2)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000804902986 883467110 /nfs/dbraw/zinc/46/71/10/883467110.db2.gz ZHWBUCQBRBBZOJ-UHFFFAOYSA-N 0 1 395.290 3.694 20 10 GHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000795721885 912711587 /nfs/dbraw/zinc/71/15/87/912711587.db2.gz XTXUAZJYILHTRC-UHFFFAOYSA-N 0 1 381.472 3.720 20 10 GHCDMN CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(C)nn(C)c1C ZINC000805161394 883606602 /nfs/dbraw/zinc/60/66/02/883606602.db2.gz PMTYWJBVRORZFT-AWEZNQCLSA-N 0 1 385.295 4.000 20 10 GHCDMN CCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135783 883615466 /nfs/dbraw/zinc/61/54/66/883615466.db2.gz TWWHVGWUMMHAFN-UHFFFAOYSA-N 0 1 376.261 3.576 20 10 GHCDMN C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000805235604 883679583 /nfs/dbraw/zinc/67/95/83/883679583.db2.gz DMUYOPSEYFJYQQ-DLBZAZTESA-N 0 1 394.302 3.944 20 10 GHCDMN COCCOc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000918748896 884279478 /nfs/dbraw/zinc/27/94/78/884279478.db2.gz DGSSIOHMBLUYFT-UHFFFAOYSA-N 0 1 399.491 3.900 20 10 GHCDMN Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806823573 885036234 /nfs/dbraw/zinc/03/62/34/885036234.db2.gz XJQFWFGMXMJNOB-OAHLLOKOSA-N 0 1 381.263 3.674 20 10 GHCDMN O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840283 885771317 /nfs/dbraw/zinc/77/13/17/885771317.db2.gz WVHZPXQWLYYBKU-LBPRGKRZSA-N 0 1 393.270 3.906 20 10 GHCDMN COCCOC1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807837210 885802383 /nfs/dbraw/zinc/80/23/83/885802383.db2.gz HCQDAUPXOHCURO-UHFFFAOYSA-N 0 1 376.280 3.537 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000807838536 885804203 /nfs/dbraw/zinc/80/42/03/885804203.db2.gz WHOVGEGSQZVWHC-UHFFFAOYSA-N 0 1 390.226 3.792 20 10 GHCDMN COc1cc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1 ZINC000807839807 885805588 /nfs/dbraw/zinc/80/55/88/885805588.db2.gz RCUAFBIFQOUABT-UHFFFAOYSA-N 0 1 384.259 3.965 20 10 GHCDMN COc1ccc(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000807839185 885806224 /nfs/dbraw/zinc/80/62/24/885806224.db2.gz JQJYGSNQHBXEPE-UHFFFAOYSA-N 0 1 388.634 3.860 20 10 GHCDMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC001184087645 912991738 /nfs/dbraw/zinc/99/17/38/912991738.db2.gz FRLUHRAPGNVFCR-HXUWFJFHSA-N 0 1 394.468 3.643 20 10 GHCDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000862228324 886225898 /nfs/dbraw/zinc/22/58/98/886225898.db2.gz QFKOHKRTOCCNJH-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000862228324 886225912 /nfs/dbraw/zinc/22/59/12/886225912.db2.gz QFKOHKRTOCCNJH-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN CC(=O)N1CCN(Cc2c(O)cccc2Br)CC12CCCCC2 ZINC000862251490 886253872 /nfs/dbraw/zinc/25/38/72/886253872.db2.gz FUVOGKVPAOBOGM-UHFFFAOYSA-N 0 1 381.314 3.522 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000862377868 886338401 /nfs/dbraw/zinc/33/84/01/886338401.db2.gz WFRHWRXNCLLPCA-UHFFFAOYSA-N 0 1 376.294 3.681 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1F ZINC000862395572 886347852 /nfs/dbraw/zinc/34/78/52/886347852.db2.gz VZQOUKMSIVEZRU-OAQYLSRUSA-N 0 1 390.474 3.651 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1C[C@@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001168245037 886618978 /nfs/dbraw/zinc/61/89/78/886618978.db2.gz XEPOFNWYBYMVBB-RTBURBONSA-N 0 1 396.531 3.981 20 10 GHCDMN CCOC(=O)c1ccc2c(c1)nc(CN[C@H](C)c1cc(OC)ccc1O)n2CC ZINC000808743538 886756534 /nfs/dbraw/zinc/75/65/34/886756534.db2.gz HPTUHFYUSPKGBO-CQSZACIVSA-N 0 1 397.475 3.798 20 10 GHCDMN Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000862960784 886784642 /nfs/dbraw/zinc/78/46/42/886784642.db2.gz OTOYLTKIUCWPNY-UHFFFAOYSA-N 0 1 395.547 3.729 20 10 GHCDMN C[C@H]1OCC[C@@]12CN(Cc1ccc3c(c1)CCN3Cc1ccccc1)CCO2 ZINC000809656767 887664830 /nfs/dbraw/zinc/66/48/30/887664830.db2.gz JRSAYLFVNIABCZ-NTKDMRAZSA-N 0 1 378.516 3.629 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000809712454 887732236 /nfs/dbraw/zinc/73/22/36/887732236.db2.gz NKAIGZCAILGQKC-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(Br)c1 ZINC000809753222 887791569 /nfs/dbraw/zinc/79/15/69/887791569.db2.gz CQKNDSQFDLJMPC-NSHDSACASA-N 0 1 394.265 3.801 20 10 GHCDMN Oc1ccc(F)cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000809753724 887791985 /nfs/dbraw/zinc/79/19/85/887791985.db2.gz YTITXWPGMFLWHT-UHFFFAOYSA-N 0 1 394.244 3.786 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866435788 888876613 /nfs/dbraw/zinc/87/66/13/888876613.db2.gz GBYOKKSVLFKQIT-DGCLKSJQSA-N 0 1 382.308 3.847 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000866533286 888922829 /nfs/dbraw/zinc/92/28/29/888922829.db2.gz PBQZMIAERKNJFP-GDBMZVCRSA-N 0 1 384.314 3.781 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000811528236 889681939 /nfs/dbraw/zinc/68/19/39/889681939.db2.gz AZTGZFYAQUUJQP-ZFWWWQNUSA-N 0 1 380.227 3.620 20 10 GHCDMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811702600 889907175 /nfs/dbraw/zinc/90/71/75/889907175.db2.gz DLHRZTIQLZETLI-UHFFFAOYSA-N 0 1 379.478 3.743 20 10 GHCDMN C[C@H](NCc1c2c(nn1C)CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000812737796 890919597 /nfs/dbraw/zinc/91/95/97/890919597.db2.gz SKRYVZVBHDFZIU-HNNXBMFYSA-N 0 1 388.943 3.640 20 10 GHCDMN COc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c(OC)c1 ZINC000917075492 890975362 /nfs/dbraw/zinc/97/53/62/890975362.db2.gz XGVPZOQIJRBMPT-UHFFFAOYSA-N 0 1 385.508 3.619 20 10 GHCDMN CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1O ZINC000287753749 913522539 /nfs/dbraw/zinc/52/25/39/913522539.db2.gz QKYXVSUFJVBLTK-OAHLLOKOSA-N 0 1 383.279 3.737 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000813682304 891874748 /nfs/dbraw/zinc/87/47/48/891874748.db2.gz BBCOFYWWUCMEQS-CQSZACIVSA-N 0 1 397.258 3.603 20 10 GHCDMN COc1cc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1 ZINC000917418162 891925138 /nfs/dbraw/zinc/92/51/38/891925138.db2.gz ZFYAUOWMWLRVKH-UHFFFAOYSA-N 0 1 385.508 3.619 20 10 GHCDMN Cc1ccc([C@@H](NCc2cc(Cl)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000825762755 892447596 /nfs/dbraw/zinc/44/75/96/892447596.db2.gz RRCQGBBFEDPBST-KUHUBIRLSA-N 0 1 381.925 3.926 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000917954466 892865772 /nfs/dbraw/zinc/86/57/72/892865772.db2.gz NNNXHESLIDXKAQ-UHFFFAOYSA-N 0 1 381.436 3.590 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1[O-] ZINC000815130434 893463398 /nfs/dbraw/zinc/46/33/98/893463398.db2.gz GTVULFLASBGPOC-UHFFFAOYSA-N 0 1 375.415 3.755 20 10 GHCDMN C[C@H](c1ccsc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877376514 893583046 /nfs/dbraw/zinc/58/30/46/893583046.db2.gz ISWPXHLTAPLDSD-GOSISDBHSA-N 0 1 385.577 3.588 20 10 GHCDMN CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688712 893763755 /nfs/dbraw/zinc/76/37/55/893763755.db2.gz VLVQQPYHGUCGGT-UXHICEINSA-N 0 1 375.472 3.550 20 10 GHCDMN CO[C@H]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688712 893763761 /nfs/dbraw/zinc/76/37/61/893763761.db2.gz VLVQQPYHGUCGGT-UXHICEINSA-N 0 1 375.472 3.550 20 10 GHCDMN COc1cc(Cl)cc(CNCc2nc(C(F)(F)F)n3c2CCCC3)c1O ZINC000877732834 893781906 /nfs/dbraw/zinc/78/19/06/893781906.db2.gz KWYBHWJNHPXXEN-UHFFFAOYSA-N 0 1 389.805 3.896 20 10 GHCDMN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826029315 894087092 /nfs/dbraw/zinc/08/70/92/894087092.db2.gz DJYCQMZFZYMZCS-GFCCVEGCSA-N 0 1 387.318 3.938 20 10 GHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127186705 894371654 /nfs/dbraw/zinc/37/16/54/894371654.db2.gz DNQLGJCHSQNLMO-LBPRGKRZSA-N 0 1 387.827 3.728 20 10 GHCDMN CC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)c(F)c1 ZINC000816482337 894850008 /nfs/dbraw/zinc/85/00/08/894850008.db2.gz BWDTVDOAUCWNLP-UHFFFAOYSA-N 0 1 380.822 3.849 20 10 GHCDMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc2ccccc2c1O ZINC000816480909 894850825 /nfs/dbraw/zinc/85/08/25/894850825.db2.gz AYWGVJXKBDMBOS-UHFFFAOYSA-N 0 1 391.471 3.964 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)ccc2ccccc21 ZINC000816529590 894897984 /nfs/dbraw/zinc/89/79/84/894897984.db2.gz YMWOKDPPOINOMP-JOCHJYFZSA-N 0 1 380.463 3.848 20 10 GHCDMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816525363 894923527 /nfs/dbraw/zinc/92/35/27/894923527.db2.gz PZLINWKHNJJEBI-NRFANRHFSA-N 0 1 375.472 3.607 20 10 GHCDMN [O-]c1c(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)ccc2ccccc21 ZINC000816610705 894972990 /nfs/dbraw/zinc/97/29/90/894972990.db2.gz VHJYKAREUVRYGO-UHFFFAOYSA-N 0 1 391.515 3.665 20 10 GHCDMN [O-]c1c(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)ccc2ccccc21 ZINC000816610705 894973004 /nfs/dbraw/zinc/97/30/04/894973004.db2.gz VHJYKAREUVRYGO-UHFFFAOYSA-N 0 1 391.515 3.665 20 10 GHCDMN CC(C)(CO)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816638039 894983500 /nfs/dbraw/zinc/98/35/00/894983500.db2.gz YEXMCEOEUTVYFH-NRFANRHFSA-N 0 1 398.507 3.830 20 10 GHCDMN COC1CCN(c2ccc(CN3CCc4ccc(NC(C)=O)cc4C3)cc2)CC1 ZINC000880034175 895470278 /nfs/dbraw/zinc/47/02/78/895470278.db2.gz OSNCQJJTDROEFA-UHFFFAOYSA-N 0 1 393.531 3.819 20 10 GHCDMN CCn1cc([C@H](C)NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000567021050 896805048 /nfs/dbraw/zinc/80/50/48/896805048.db2.gz BALIRYHVRBNUGL-KRWDZBQOSA-N 0 1 393.535 3.502 20 10 GHCDMN CN(C)c1ccc(CNCc2ccnc(-c3ccccn3)n2)c(C(F)(F)F)c1 ZINC000883286167 897445865 /nfs/dbraw/zinc/44/58/65/897445865.db2.gz LDUVJCQLXIQKKL-UHFFFAOYSA-N 0 1 387.409 3.913 20 10 GHCDMN COCCOCc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000289821543 914364657 /nfs/dbraw/zinc/36/46/57/914364657.db2.gz TYXZWJAXPIOHDZ-UHFFFAOYSA-N 0 1 380.282 3.608 20 10 GHCDMN CNC(=O)c1ccc(C[N@H+](Cc2ccc(Br)cc2[O-])C2CC2)cc1 ZINC000824576087 899694350 /nfs/dbraw/zinc/69/43/50/899694350.db2.gz ZZEPMUNCALHXSU-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN CNC(=O)c1ccc(C[N@@H+](Cc2ccc(Br)cc2[O-])C2CC2)cc1 ZINC000824576087 899694358 /nfs/dbraw/zinc/69/43/58/899694358.db2.gz ZZEPMUNCALHXSU-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN O=C(CC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1)NC1CCCC1 ZINC000824627768 899727079 /nfs/dbraw/zinc/72/70/79/899727079.db2.gz WLCJCWVMHDPMPN-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN COc1cc2c(cc1C[NH2+]Cc1ccc(Br)cc1[O-])O[C@H](C)C2 ZINC000825097279 899974843 /nfs/dbraw/zinc/97/48/43/899974843.db2.gz QLRDEHZTSJKCRV-LLVKDONJSA-N 0 1 378.266 3.777 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000844219805 900586220 /nfs/dbraw/zinc/58/62/20/900586220.db2.gz WQYMSUYQIOUGHS-DYLHUKMJSA-N 0 1 396.447 3.609 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001144299603 901649652 /nfs/dbraw/zinc/64/96/52/901649652.db2.gz BYNAZCFXIJPZAL-UHFFFAOYSA-N 0 1 395.272 3.870 20 10 GHCDMN COCCN1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C(C)(C)C1 ZINC001144652846 902562789 /nfs/dbraw/zinc/56/27/89/902562789.db2.gz PFUIGINMOLQSKP-UHFFFAOYSA-N 0 1 383.536 3.585 20 10 GHCDMN Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000846057803 902613930 /nfs/dbraw/zinc/61/39/30/902613930.db2.gz JQTMHHIIJKHTMU-UHFFFAOYSA-N 0 1 399.878 3.897 20 10 GHCDMN COc1cccc([C@H](C)N[C@@H](CCO)c2ccccc2Br)c1O ZINC000846166054 902736667 /nfs/dbraw/zinc/73/66/67/902736667.db2.gz QTZDVWJHSYYWEY-LRDDRELGSA-N 0 1 380.282 3.938 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1cccc(Br)c1 ZINC000775035211 914686776 /nfs/dbraw/zinc/68/67/76/914686776.db2.gz WTXKXHLZBKKSQD-OAHLLOKOSA-N 0 1 395.684 3.703 20 10 GHCDMN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151230187 904089269 /nfs/dbraw/zinc/08/92/69/904089269.db2.gz WICPBYCFGBMALZ-SFHVURJKSA-N 0 1 398.526 3.898 20 10 GHCDMN COc1ccc(N2CCN([C@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001173056933 906132086 /nfs/dbraw/zinc/13/20/86/906132086.db2.gz OHFODCAFRCKLKV-MJGOQNOKSA-N 0 1 389.540 3.605 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000779476034 907258799 /nfs/dbraw/zinc/25/87/99/907258799.db2.gz STZPHUFDEMTUMT-NCUBBLFSSA-N 0 1 388.895 3.964 20 10 GHCDMN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000185321875 907751484 /nfs/dbraw/zinc/75/14/84/907751484.db2.gz MACSEIRYYFMIKW-ZDUSSCGKSA-N 0 1 393.329 3.756 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000185650189 907805072 /nfs/dbraw/zinc/80/50/72/907805072.db2.gz WZWUBAVOXZSODT-GFCCVEGCSA-N 0 1 398.322 3.550 20 10 GHCDMN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000186049390 907871703 /nfs/dbraw/zinc/87/17/03/907871703.db2.gz HZWBTOPJAKGMMW-GFCCVEGCSA-N 0 1 394.265 3.557 20 10 GHCDMN CCOC(=O)N1CCC([NH2+][C@H](CC)c2cc(Br)ccc2[O-])CC1 ZINC000192882424 907993723 /nfs/dbraw/zinc/99/37/23/907993723.db2.gz YTDNSUYQMQESGJ-OAHLLOKOSA-N 0 1 385.302 3.816 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(OCC4CC4)cc3)SC2=S)CC1 ZINC000190400551 908480918 /nfs/dbraw/zinc/48/09/18/908480918.db2.gz QDVKNEVHKGGTDA-PDGQHHTCSA-N 0 1 388.558 3.771 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(COC3CCC3)no2)C1 ZINC000634672120 908796199 /nfs/dbraw/zinc/79/61/99/908796199.db2.gz HPUUVPLYKHBYJH-UHFFFAOYSA-N 0 1 380.492 3.908 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4ccc(C)cc43)CC2)cc1 ZINC000195684356 909031612 /nfs/dbraw/zinc/03/16/12/909031612.db2.gz LHIGLJBCZQBOOH-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(N(C)C)cc3)cc2F)CC1 ZINC001180128330 909974320 /nfs/dbraw/zinc/97/43/20/909974320.db2.gz JULKEFXGIAJEKB-KPKJPENVSA-N 0 1 396.510 3.686 20 10 GHCDMN COCC[C@@]1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000773947374 910988000 /nfs/dbraw/zinc/98/80/00/910988000.db2.gz HZJRMAFWWBGUGA-OAQYLSRUSA-N 0 1 382.464 3.826 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)ncc1F ZINC000273864022 911067349 /nfs/dbraw/zinc/06/73/49/911067349.db2.gz MXSCHLPOMKGFKG-ZDUSSCGKSA-N 0 1 394.288 3.671 20 10 GHCDMN CCN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001181994831 911114785 /nfs/dbraw/zinc/11/47/85/911114785.db2.gz ARXSPDYWEZYCKE-IBGZPJMESA-N 0 1 381.480 3.726 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)c2cnccn2)C1 ZINC000774074243 911347080 /nfs/dbraw/zinc/34/70/80/911347080.db2.gz YOUSILNLASUZOC-MRXNPFEDSA-N 0 1 378.476 3.502 20 10 GHCDMN COC[C@@H](OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(F)(F)F ZINC000774159588 911459636 /nfs/dbraw/zinc/45/96/36/911459636.db2.gz QNWPRSXSKODKTR-GOSISDBHSA-N 0 1 398.425 3.528 20 10 GHCDMN CC[C@@](C[NH2+]Cc1c([O-])cccc1Br)(C(=O)OC)c1ccccc1 ZINC001182327039 911488308 /nfs/dbraw/zinc/48/83/08/911488308.db2.gz OFPJQVAHCVXUJW-IBGZPJMESA-N 0 1 392.293 3.765 20 10 GHCDMN COC1CCN(c2ccc(CN(C)Cc3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC000294949658 917064917 /nfs/dbraw/zinc/06/49/17/917064917.db2.gz KGFQXFRTYXEZGA-HHHXNRCGSA-N 0 1 386.561 3.671 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Cl)ccc1[O-] ZINC000775488625 918264495 /nfs/dbraw/zinc/26/44/95/918264495.db2.gz PMUIEXJZMUKVHF-KDOFPFPSSA-N 0 1 375.900 3.907 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775514385 918549088 /nfs/dbraw/zinc/54/90/88/918549088.db2.gz UQOKTFQLGVNXGK-RCCFBDPRSA-N 0 1 397.357 3.839 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275892300 919323910 /nfs/dbraw/zinc/32/39/10/919323910.db2.gz ACAIRCWLUZCBEU-QGZVFWFLSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275892300 919323924 /nfs/dbraw/zinc/32/39/24/919323924.db2.gz ACAIRCWLUZCBEU-QGZVFWFLSA-N 0 1 390.833 3.813 20 10 GHCDMN CCOc1ccc(O)c(CN[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000800309440 919884559 /nfs/dbraw/zinc/88/45/59/919884559.db2.gz NAWZTAXJWOKZMP-OAHLLOKOSA-N 0 1 382.229 3.916 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000902669735 922387584 /nfs/dbraw/zinc/38/75/84/922387584.db2.gz JFXBGHQMXCALRO-UAGQMJEPSA-N 0 1 383.492 3.818 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000902669735 922387591 /nfs/dbraw/zinc/38/75/91/922387591.db2.gz JFXBGHQMXCALRO-UAGQMJEPSA-N 0 1 383.492 3.818 20 10 GHCDMN CCOC1CC(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000802949461 922549774 /nfs/dbraw/zinc/54/97/74/922549774.db2.gz UGCBXNHTBAVEAU-UHFFFAOYSA-N 0 1 384.520 3.766 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000903173603 922829870 /nfs/dbraw/zinc/82/98/70/922829870.db2.gz RGQTVHYGAIZWTG-INIZCTEOSA-N 0 1 398.528 3.788 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276078472 925248733 /nfs/dbraw/zinc/24/87/33/925248733.db2.gz NIBNWZCSURHYPC-HZPDHXFCSA-N 0 1 381.314 3.520 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Br ZINC001276078472 925248743 /nfs/dbraw/zinc/24/87/43/925248743.db2.gz NIBNWZCSURHYPC-HZPDHXFCSA-N 0 1 381.314 3.520 20 10 GHCDMN COc1ccccc1N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000725850264 926467261 /nfs/dbraw/zinc/46/72/61/926467261.db2.gz VOBIHHLDOLALAC-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108544 929647139 /nfs/dbraw/zinc/64/71/39/929647139.db2.gz FSFHNKXZNIRDFO-KDOFPFPSSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108544 929647142 /nfs/dbraw/zinc/64/71/42/929647142.db2.gz FSFHNKXZNIRDFO-KDOFPFPSSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108544 929647150 /nfs/dbraw/zinc/64/71/50/929647150.db2.gz FSFHNKXZNIRDFO-KDOFPFPSSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1ccc(O)c([C@H](C)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000757637626 929754247 /nfs/dbraw/zinc/75/42/47/929754247.db2.gz IMZUIMOPIXQBDY-SJCJKPOMSA-N 0 1 380.282 3.938 20 10 GHCDMN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000757662179 929762910 /nfs/dbraw/zinc/76/29/10/929762910.db2.gz SUXGROJAHXYQHY-MRXNPFEDSA-N 0 1 381.495 3.953 20 10 GHCDMN C[C@H]1[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272542 929998077 /nfs/dbraw/zinc/99/80/77/929998077.db2.gz JJLZRQYWQAWSMK-MRXNPFEDSA-N 0 1 381.472 3.720 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758530703 930072676 /nfs/dbraw/zinc/07/26/76/930072676.db2.gz VRWKULYDPACRDX-SJLPKXTDSA-N 0 1 380.257 3.550 20 10 GHCDMN COc1ccc(N2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)cc1F ZINC000759324640 930341863 /nfs/dbraw/zinc/34/18/63/930341863.db2.gz NYXUWIGABFMBFQ-UHFFFAOYSA-N 0 1 386.471 3.568 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000781908789 931024024 /nfs/dbraw/zinc/02/40/24/931024024.db2.gz AHKGDBARELFHAR-GFCCVEGCSA-N 0 1 387.318 3.808 20 10 GHCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781919470 931029162 /nfs/dbraw/zinc/02/91/62/931029162.db2.gz AVLCDHMJEOTFFS-CQSZACIVSA-N 0 1 384.314 3.874 20 10 GHCDMN CCN(C(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000781992859 931054268 /nfs/dbraw/zinc/05/42/68/931054268.db2.gz OIGMIEOUKBWMOM-LJQANCHMSA-N 0 1 387.568 3.525 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1)c1ccccc1 ZINC000797605385 932340897 /nfs/dbraw/zinc/34/08/97/932340897.db2.gz OGAXXZNSJXMSDJ-AWEZNQCLSA-N 0 1 389.293 3.640 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1)c1ccccc1 ZINC000797605385 932340904 /nfs/dbraw/zinc/34/09/04/932340904.db2.gz OGAXXZNSJXMSDJ-AWEZNQCLSA-N 0 1 389.293 3.640 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)cc1Cl ZINC000828074373 935574242 /nfs/dbraw/zinc/57/42/42/935574242.db2.gz UKWPHYNEOALETM-UHFFFAOYSA-N 0 1 397.910 3.924 20 10 GHCDMN Cc1cc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N1CCCCC1 ZINC000828337738 935614900 /nfs/dbraw/zinc/61/49/00/935614900.db2.gz ANVRNYPTMDJAEW-LEWJYISDSA-N 0 1 378.582 3.773 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828448487 935634221 /nfs/dbraw/zinc/63/42/21/935634221.db2.gz GDLZQOFJGSTGOK-MSOLQXFVSA-N 0 1 385.483 3.559 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001221088155 1032279663 /nfs/dbraw/zinc/27/96/63/1032279663.db2.gz JRXOKXNJLCZAIM-OAHLLOKOSA-N 0 1 379.913 3.743 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C(C)C)C(F)(F)F)c1O ZINC001227494218 1032440786 /nfs/dbraw/zinc/44/07/86/1032440786.db2.gz TWMNRWPOURSPFG-LBPRGKRZSA-N 0 1 384.372 3.773 20 10 GHCDMN COC(=O)c1c(CN(C)Cc2ccc(N(C)C)cc2)c2cc(F)ccc2n1C ZINC001204144827 1032600229 /nfs/dbraw/zinc/60/02/29/1032600229.db2.gz KKIQGMSMJCPYGB-UHFFFAOYSA-N 0 1 383.467 3.802 20 10 GHCDMN Cc1cc(O)c(CN(CCO)Cc2cnn(Cc3ccccc3)c2)cc1Cl ZINC001204180680 1032632407 /nfs/dbraw/zinc/63/24/07/1032632407.db2.gz QZWOXEFFGFEDHX-UHFFFAOYSA-N 0 1 385.895 3.593 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC001204248983 1032691259 /nfs/dbraw/zinc/69/12/59/1032691259.db2.gz LBCXZALFWFVSAK-UHFFFAOYSA-N 0 1 376.229 3.770 20 10 GHCDMN c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccc(N5CCCC5)cc4)[C@@H]3C2)nc1 ZINC001204323249 1032768485 /nfs/dbraw/zinc/76/84/85/1032768485.db2.gz QITWBMLWTMNUOC-MDNUFGMLSA-N 0 1 393.531 3.740 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(Oc3ccncc3)CC2)c1O ZINC001204336219 1032779730 /nfs/dbraw/zinc/77/97/30/1032779730.db2.gz HIXQOXVZMCHRHO-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN CCOC(=O)/C=C\c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000779432276 1020777301 /nfs/dbraw/zinc/77/73/01/1020777301.db2.gz BBEAXLGJOREHJI-JYRVWZFOSA-N 0 1 379.504 3.627 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4cccc(C)c43)CC2)cc1 ZINC001156261285 1032947511 /nfs/dbraw/zinc/94/75/11/1032947511.db2.gz RICZOLMUHGPTAX-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN COc1ccc(N2CCN(CCCN[C@@H](F)c3ccnc(Cl)c3)CC2)cc1 ZINC001156261039 1032947540 /nfs/dbraw/zinc/94/75/40/1032947540.db2.gz QQFFHSWXQLVDHS-HXUWFJFHSA-N 0 1 392.906 3.514 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc(Cl)ncc3F)CC2)cc1 ZINC001156260703 1032947678 /nfs/dbraw/zinc/94/76/78/1032947678.db2.gz IRFKTGPQUOQAKX-UHFFFAOYSA-N 0 1 378.879 3.507 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800527797 1021315893 /nfs/dbraw/zinc/31/58/93/1021315893.db2.gz BTJFLKBZEJOJNG-ZDUSSCGKSA-N 0 1 390.871 3.866 20 10 GHCDMN Cc1cc(C(=O)COC(=O)C2CCN(C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000801872937 1021447972 /nfs/dbraw/zinc/44/79/72/1021447972.db2.gz HHCIFXSFXRXWOF-UHFFFAOYSA-N 0 1 380.488 3.694 20 10 GHCDMN CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1[O-] ZINC000834841750 1021539844 /nfs/dbraw/zinc/53/98/44/1021539844.db2.gz ZPLOIUOLSZWPHJ-AWEZNQCLSA-N 0 1 385.689 3.711 20 10 GHCDMN COc1cc(Br)cc([C@@H](C)NCc2nc3c(s2)CCC3)c1O ZINC000903190552 1021582628 /nfs/dbraw/zinc/58/26/28/1021582628.db2.gz ABCDQOHJMYAFBX-SECBINFHSA-N 0 1 383.311 3.959 20 10 GHCDMN O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465741 1021759962 /nfs/dbraw/zinc/75/99/62/1021759962.db2.gz SVIHGBORFRLEQP-UHFFFAOYSA-N 0 1 391.924 3.630 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465762 1021760406 /nfs/dbraw/zinc/76/04/06/1021760406.db2.gz UJZHYVGRARJANH-UHFFFAOYSA-N 0 1 399.922 3.959 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001140467875 1021763762 /nfs/dbraw/zinc/76/37/62/1021763762.db2.gz YJDIZHKVTIGRAR-SCWSEQNSSA-N 0 1 390.911 3.750 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001140467875 1021763779 /nfs/dbraw/zinc/76/37/79/1021763779.db2.gz YJDIZHKVTIGRAR-SCWSEQNSSA-N 0 1 390.911 3.750 20 10 GHCDMN Oc1ccc([C@@H]2CN(Cc3cc[nH]c3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001140707794 1022330115 /nfs/dbraw/zinc/33/01/15/1022330115.db2.gz BXHLJRZKHQCJRD-SFHVURJKSA-N 0 1 384.863 3.975 20 10 GHCDMN Cc1cc(C(=O)NCc2cn[nH]c2C)c(C)n1-c1cccc(Br)c1 ZINC000725890823 1022390563 /nfs/dbraw/zinc/39/05/63/1022390563.db2.gz CTOMBQXZEZPLRH-UHFFFAOYSA-N 0 1 387.281 3.818 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC001140850722 1022697258 /nfs/dbraw/zinc/69/72/58/1022697258.db2.gz RTDBGRCXSGPRFW-INIZCTEOSA-N 0 1 377.529 3.680 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2cnn(CC)c21 ZINC001140852949 1022702192 /nfs/dbraw/zinc/70/21/92/1022702192.db2.gz GMOYJKHHRSPFQO-IBGZPJMESA-N 0 1 386.540 3.591 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 ZINC001140922529 1022891668 /nfs/dbraw/zinc/89/16/68/1022891668.db2.gz SUMIIMCAXJRQKK-UHFFFAOYSA-N 0 1 379.932 3.849 20 10 GHCDMN Cc1ccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001140950427 1022972972 /nfs/dbraw/zinc/97/29/72/1022972972.db2.gz SSMGDXCQQCXLBL-UHFFFAOYSA-N 0 1 377.488 3.879 20 10 GHCDMN CC(C)[C@H]1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000836603853 1023162237 /nfs/dbraw/zinc/16/22/37/1023162237.db2.gz MYTWBYXNBOPXOG-XHDPSFHLSA-N 0 1 375.296 3.949 20 10 GHCDMN COc1cc(O)c(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c(OC)c1 ZINC001141031230 1023297271 /nfs/dbraw/zinc/29/72/71/1023297271.db2.gz ZLLLAYNWWKKMRP-OLMNPRSZSA-N 0 1 391.508 3.884 20 10 GHCDMN COc1cc(O)c(CN2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)c(OC)c1 ZINC001141034989 1023326599 /nfs/dbraw/zinc/32/65/99/1023326599.db2.gz YDPKMDCBAJFNHP-MJXNMMHHSA-N 0 1 390.505 3.526 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000756419602 1023639089 /nfs/dbraw/zinc/63/90/89/1023639089.db2.gz VSWYSAOIKDIVKJ-LBPRGKRZSA-N 0 1 383.330 3.842 20 10 GHCDMN Cc1ccc([C@@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)c(O)c1 ZINC000756642331 1023749419 /nfs/dbraw/zinc/74/94/19/1023749419.db2.gz MSNUJAZIHTZCLS-OAHLLOKOSA-N 0 1 381.501 3.938 20 10 GHCDMN COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2)cc(OC)c1 ZINC000756648443 1023753583 /nfs/dbraw/zinc/75/35/83/1023753583.db2.gz WJNDLCSIMXOMBB-YOEHRIQHSA-N 0 1 390.911 3.988 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1[O-] ZINC000756657624 1023758914 /nfs/dbraw/zinc/75/89/14/1023758914.db2.gz DPMYQBMIJQOJQA-SWLSCSKDSA-N 0 1 381.314 3.596 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756661318 1023761252 /nfs/dbraw/zinc/76/12/52/1023761252.db2.gz QRBGODJCZUOTHG-WBMJQRKESA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756767236 1023807079 /nfs/dbraw/zinc/80/70/79/1023807079.db2.gz DXTBGJUKODRKSZ-NWDGAFQWSA-N 0 1 387.318 3.966 20 10 GHCDMN C[C@@H](Nc1cccc(OCC(N)=O)c1)c1cc(Br)cc(Cl)c1O ZINC000756801292 1023819030 /nfs/dbraw/zinc/81/90/30/1023819030.db2.gz LEJWMQSZTYNALM-SECBINFHSA-N 0 1 399.672 3.845 20 10 GHCDMN Cc1c(CN2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138252573 1024472143 /nfs/dbraw/zinc/47/21/43/1024472143.db2.gz MGBGBODSWZUFCW-KRWDZBQOSA-N 0 1 387.524 3.602 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3ncc(C)cn3)CC2)c(OC)c1 ZINC001138392105 1024769275 /nfs/dbraw/zinc/76/92/75/1024769275.db2.gz QLQLQDHJPDZNIF-UHFFFAOYSA-N 0 1 384.524 3.683 20 10 GHCDMN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141377531 1024775118 /nfs/dbraw/zinc/77/51/18/1024775118.db2.gz RNRSAQMJPYWJAI-CYBMUJFWSA-N 0 1 398.688 3.560 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(OC4CCOCC4)cc3)CC2)cc1 ZINC001141403872 1024911123 /nfs/dbraw/zinc/91/11/23/1024911123.db2.gz BQIOVVYXZAAHAH-UHFFFAOYSA-N 0 1 382.504 3.575 20 10 GHCDMN CC[C@H]1CN(CC)CCN1CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000831971675 1025074114 /nfs/dbraw/zinc/07/41/14/1025074114.db2.gz STNQTUCDBSXMMQ-SFHVURJKSA-N 0 1 388.943 3.741 20 10 GHCDMN CCCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(C)C1 ZINC000832750483 1025918013 /nfs/dbraw/zinc/91/80/13/1025918013.db2.gz RBRGEAOXDVXFDA-FQEVSTJZSA-N 0 1 393.491 3.983 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001139127739 1025940062 /nfs/dbraw/zinc/94/00/62/1025940062.db2.gz OQWVSMGHNUKXDY-MMOPVJDHSA-N 0 1 383.488 3.834 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc(F)ccc3N(C)C)cc2F)C[C@@H](C)O1 ZINC001461067901 1069373894 /nfs/dbraw/zinc/37/38/94/1069373894.db2.gz RMLWPBUHGASSAA-HZPDHXFCSA-N 0 1 389.490 3.934 20 10 GHCDMN Cc1ccc(C2=NO[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1 ZINC001141737666 1026387586 /nfs/dbraw/zinc/38/75/86/1026387586.db2.gz DAOACOUYJSZMAN-MRXNPFEDSA-N 0 1 379.243 3.817 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001139682108 1026537201 /nfs/dbraw/zinc/53/72/01/1026537201.db2.gz PAPDDRMIRHYLPV-IBGZPJMESA-N 0 1 395.400 3.803 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001139682263 1026537587 /nfs/dbraw/zinc/53/75/87/1026537587.db2.gz UNYWXRUKFNXURQ-WIYYLYMNSA-N 0 1 390.430 3.516 20 10 GHCDMN O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2c([O-])cccc2Br)N1c1ccsc1 ZINC001140099514 1026876118 /nfs/dbraw/zinc/87/61/18/1026876118.db2.gz IUILUVNSQMMRLF-LSDHHAIUSA-N 0 1 393.306 3.596 20 10 GHCDMN O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2c([O-])cccc2Br)N1c1ccsc1 ZINC001140099514 1026876126 /nfs/dbraw/zinc/87/61/26/1026876126.db2.gz IUILUVNSQMMRLF-LSDHHAIUSA-N 0 1 393.306 3.596 20 10 GHCDMN CN(Cc1c(O)cccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140100058 1026877321 /nfs/dbraw/zinc/87/73/21/1026877321.db2.gz CYYWRDZHBXJOJI-CYBMUJFWSA-N 0 1 399.329 3.986 20 10 GHCDMN C[C@H]1CN(Cc2c(O)cccc2Br)CCCN1C(=O)OC(C)(C)C ZINC001140103048 1026883545 /nfs/dbraw/zinc/88/35/45/1026883545.db2.gz FNXZDVXBSSKBKD-ZDUSSCGKSA-N 0 1 399.329 3.986 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000840187815 1027328262 /nfs/dbraw/zinc/32/82/62/1027328262.db2.gz KDAIMTZRHNNKSO-JOCHJYFZSA-N 0 1 383.492 3.916 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000840187815 1027328281 /nfs/dbraw/zinc/32/82/81/1027328281.db2.gz KDAIMTZRHNNKSO-JOCHJYFZSA-N 0 1 383.492 3.916 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@]1(C)O ZINC001203565297 1027437215 /nfs/dbraw/zinc/43/72/15/1027437215.db2.gz ZBUTYBLBIYHYQN-YMTOWFKASA-N 0 1 393.119 3.510 20 10 GHCDMN O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575744 1027444792 /nfs/dbraw/zinc/44/47/92/1027444792.db2.gz ZFMGBELBDYIQKI-LJQANCHMSA-N 0 1 383.319 3.924 20 10 GHCDMN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575528 1027445562 /nfs/dbraw/zinc/44/55/62/1027445562.db2.gz QNKSQNPPKMFVKP-OXJNMPFZSA-N 0 1 391.298 3.805 20 10 GHCDMN COC[C@H]1CN(Cc2cccc(OC)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001203590224 1027454474 /nfs/dbraw/zinc/45/44/74/1027454474.db2.gz UTYCNLPGEOXIOG-LJQANCHMSA-N 0 1 385.508 3.533 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)N1CC1CC1 ZINC001203639912 1027499365 /nfs/dbraw/zinc/49/93/65/1027499365.db2.gz MQAVUONRHQHGMU-UHFFFAOYSA-N 0 1 393.325 3.522 20 10 GHCDMN CC[C@@H]1[N@H+](Cc2cc(Br)ccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001203643830 1027501412 /nfs/dbraw/zinc/50/14/12/1027501412.db2.gz QTUQBLPCTFMRCB-WMZOPIPTSA-N 0 1 381.314 3.520 20 10 GHCDMN CC[C@@H]1[N@@H+](Cc2cc(Br)ccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001203643830 1027501419 /nfs/dbraw/zinc/50/14/19/1027501419.db2.gz QTUQBLPCTFMRCB-WMZOPIPTSA-N 0 1 381.314 3.520 20 10 GHCDMN COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1c1ccccc1 ZINC001203648603 1027505377 /nfs/dbraw/zinc/50/53/77/1027505377.db2.gz NQZXERNCKKXFLU-DLBZAZTESA-N 0 1 390.277 3.543 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1c1ccccc1 ZINC001203648603 1027505383 /nfs/dbraw/zinc/50/53/83/1027505383.db2.gz NQZXERNCKKXFLU-DLBZAZTESA-N 0 1 390.277 3.543 20 10 GHCDMN COc1ccc(O)c(CN2CCN(Cc3ccncc3)c3nc(C)ccc3C2)c1 ZINC001203673276 1027524023 /nfs/dbraw/zinc/52/40/23/1027524023.db2.gz UCEPISVFQZDMJN-UHFFFAOYSA-N 0 1 390.487 3.522 20 10 GHCDMN COc1ccc(O)c(CN2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC001203683776 1027528574 /nfs/dbraw/zinc/52/85/74/1027528574.db2.gz CHZWYRNKBBVBRI-UHFFFAOYSA-N 0 1 382.382 3.622 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])c1csnn1 ZINC000840969910 1028003037 /nfs/dbraw/zinc/00/30/37/1028003037.db2.gz MAMHFNKMLWNQSK-LURJTMIESA-N 0 1 393.104 3.620 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cc4cc(Cl)cnc4o3)SC2=S)CC1 ZINC000841496806 1028698499 /nfs/dbraw/zinc/69/84/99/1028698499.db2.gz SCLUUNZOMPULFW-ZSOIEALJSA-N 0 1 393.921 3.777 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(Cl)cc1[O-] ZINC000841743526 1028905211 /nfs/dbraw/zinc/90/52/11/1028905211.db2.gz ASNBURIBLAQEPC-KFWWJZLASA-N 0 1 375.900 3.905 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1[O-] ZINC000841744750 1028908118 /nfs/dbraw/zinc/90/81/18/1028908118.db2.gz KJQMZJBIWDUJIG-KDOFPFPSSA-N 0 1 388.895 3.805 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000841745774 1028909060 /nfs/dbraw/zinc/90/90/60/1028909060.db2.gz AKDFEEGGYJWBNS-AWEZNQCLSA-N 0 1 394.924 3.681 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512733 1029014654 /nfs/dbraw/zinc/01/46/54/1029014654.db2.gz 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Cc1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001153857554 1031774619 /nfs/dbraw/zinc/77/46/19/1031774619.db2.gz RWKVLFZJTMMEHP-HNNXBMFYSA-N 0 1 383.883 3.885 20 10 GHCDMN O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387627 1033483864 /nfs/dbraw/zinc/48/38/64/1033483864.db2.gz MROICDNWXOIJSZ-FQEVSTJZSA-N 0 1 380.891 3.942 20 10 GHCDMN CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001461853824 1069794470 /nfs/dbraw/zinc/79/44/70/1069794470.db2.gz MUTWHONBHRIHKY-QGZVFWFLSA-N 0 1 389.293 3.782 20 10 GHCDMN CC[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC001461853824 1069794476 /nfs/dbraw/zinc/79/44/76/1069794476.db2.gz MUTWHONBHRIHKY-QGZVFWFLSA-N 0 1 389.293 3.782 20 10 GHCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC001461853824 1069794480 /nfs/dbraw/zinc/79/44/80/1069794480.db2.gz MUTWHONBHRIHKY-QGZVFWFLSA-N 0 1 389.293 3.782 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC001461860447 1069800457 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COc1cc([O-])c(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(Cl)c1 ZINC001236806209 1041907314 /nfs/dbraw/zinc/90/73/14/1041907314.db2.gz QHYNOVLSPRXBDI-DXCKQFNASA-N 0 1 396.915 3.789 20 10 GHCDMN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cc(OC)cc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC001236806825 1041908141 /nfs/dbraw/zinc/90/81/41/1041908141.db2.gz BLEBBLQTOTWFQJ-CVEARBPZSA-N 0 1 393.842 3.582 20 10 GHCDMN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC001236806825 1041908145 /nfs/dbraw/zinc/90/81/45/1041908145.db2.gz BLEBBLQTOTWFQJ-CVEARBPZSA-N 0 1 393.842 3.582 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1Cl ZINC001236807864 1041909067 /nfs/dbraw/zinc/90/90/67/1041909067.db2.gz UKQOGMSOMAFTAP-AEFFLSMTSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1ccc(CN2CCc3nc(Br)sc3C2)c(O)c1Cl ZINC001236812454 1041911923 /nfs/dbraw/zinc/91/19/23/1041911923.db2.gz WIRXSIARDDNKHS-UHFFFAOYSA-N 0 1 389.702 3.832 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c([O-])c1Cl ZINC001236812175 1041912398 /nfs/dbraw/zinc/91/23/98/1041912398.db2.gz SOBVZAHQVADKEI-JTQLQIEISA-N 0 1 391.777 3.836 20 10 GHCDMN Cn1cc2c(n1)CN(Cc1cc3ccccc3cc1O)C[C@H]2COCC1CC1 ZINC001236829720 1041920860 /nfs/dbraw/zinc/92/08/60/1041920860.db2.gz JTCNPYSHSJPUDU-FQEVSTJZSA-N 0 1 377.488 3.805 20 10 GHCDMN Oc1cc2ccccc2cc1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001236833146 1041921992 /nfs/dbraw/zinc/92/19/92/1041921992.db2.gz SVYVBRZBZWLGEB-SFHVURJKSA-N 0 1 377.488 3.801 20 10 GHCDMN Clc1cc(N2CCOCC2)ccc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001236919720 1041958665 /nfs/dbraw/zinc/95/86/65/1041958665.db2.gz PMAADRRHNLSNNC-QHCPKHFHSA-N 0 1 397.950 3.592 20 10 GHCDMN CCOc1ccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c(O)c1 ZINC001237040493 1042000211 /nfs/dbraw/zinc/00/02/11/1042000211.db2.gz DYQUAEFAQRJVIJ-UHFFFAOYSA-N 0 1 381.398 3.527 20 10 GHCDMN CCOc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)c(O)c1 ZINC001237040577 1042000253 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C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCC[C@@]1(O)C(F)(F)F ZINC001237121811 1042049765 /nfs/dbraw/zinc/04/97/65/1042049765.db2.gz ZTVUDROWSMBGLV-HZMBPMFUSA-N 0 1 387.320 3.816 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123976 1042051874 /nfs/dbraw/zinc/05/18/74/1042051874.db2.gz WFTQMUSBGALKCV-GFCCVEGCSA-N 0 1 390.402 3.637 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4c3NCC4)CC2)cc1 ZINC001237206698 1042090852 /nfs/dbraw/zinc/09/08/52/1042090852.db2.gz XLXHJJGILMYCSH-UHFFFAOYSA-N 0 1 377.410 3.875 20 10 GHCDMN COc1cccc(C(=O)C2CCN(Cc3cc(OC)cc(OC)c3O)CC2)c1 ZINC001237669245 1042314088 /nfs/dbraw/zinc/31/40/88/1042314088.db2.gz KYPBGBGGRSHGQW-UHFFFAOYSA-N 0 1 385.460 3.513 20 10 GHCDMN C[C@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237783495 1042367509 /nfs/dbraw/zinc/36/75/09/1042367509.db2.gz JIPBWIUUZATHRD-AWEZNQCLSA-N 0 1 382.220 3.910 20 10 GHCDMN Oc1c(CN2CCOC[C@@H]2C2CC2)cc(Br)cc1C(F)(F)F ZINC001237786747 1042369428 /nfs/dbraw/zinc/36/94/28/1042369428.db2.gz PJJSQWLXYHLHJL-CYBMUJFWSA-N 0 1 380.204 3.784 20 10 GHCDMN Oc1c(Cl)cc(F)cc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237798516 1042375546 /nfs/dbraw/zinc/37/55/46/1042375546.db2.gz HNSCEHRKCSPVSV-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001237801598 1042377409 /nfs/dbraw/zinc/37/74/09/1042377409.db2.gz WGJNLWBZTMOLPT-MLGOLLRUSA-N 0 1 381.904 3.738 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3O)C[C@@H]12 ZINC001238061178 1042478999 /nfs/dbraw/zinc/47/89/99/1042478999.db2.gz NOECCTUYEMVTHS-GGAORHGYSA-N 0 1 382.479 3.604 20 10 GHCDMN Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)c1O ZINC001238062043 1042479166 /nfs/dbraw/zinc/47/91/66/1042479166.db2.gz SQBDLRHWDRWSHP-OAQYLSRUSA-N 0 1 390.405 3.747 20 10 GHCDMN CN1CCN(c2cccc(-c3nnc(-c4ccc(-n5cccc5)cc4)o3)c2)CC1 ZINC001256987540 1043787701 /nfs/dbraw/zinc/78/77/01/1043787701.db2.gz FCJWHXDKENCKAF-UHFFFAOYSA-N 0 1 385.471 3.946 20 10 GHCDMN Cc1cc(=O)oc2cc(O)c(CN(C)Cc3nnc(CC4CCCCC4)o3)cc12 ZINC001257031517 1043810011 /nfs/dbraw/zinc/81/00/11/1043810011.db2.gz MRLJHZYMTOYINE-UHFFFAOYSA-N 0 1 397.475 3.945 20 10 GHCDMN Cc1c(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1O ZINC001260330387 1045464262 /nfs/dbraw/zinc/46/42/62/1045464262.db2.gz RMQNRQYITUVKIN-UHFFFAOYSA-N 0 1 392.221 3.851 20 10 GHCDMN Oc1ccc(F)c(Cl)c1CN1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001279684235 1047913514 /nfs/dbraw/zinc/91/35/14/1047913514.db2.gz NNJAIWBLQHZBNL-FQEVSTJZSA-N 0 1 382.907 3.794 20 10 GHCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001279684235 1047913519 /nfs/dbraw/zinc/91/35/19/1047913519.db2.gz NNJAIWBLQHZBNL-FQEVSTJZSA-N 0 1 382.907 3.794 20 10 GHCDMN [O-]c1ccc(F)c(Cl)c1CN1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001279684235 1047913521 /nfs/dbraw/zinc/91/35/21/1047913521.db2.gz NNJAIWBLQHZBNL-FQEVSTJZSA-N 0 1 382.907 3.794 20 10 GHCDMN CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001280312227 1048178327 /nfs/dbraw/zinc/17/83/27/1048178327.db2.gz AEPHIJCMGCPJNT-FCLUMBPUSA-N 0 1 395.341 3.574 20 10 GHCDMN COc1ccc(N2CCN(Cc3cnc(N(C)C)c4ccccc34)CC2)cc1F ZINC001307574028 1049413870 /nfs/dbraw/zinc/41/38/70/1049413870.db2.gz KTRXQIRGMGUPDN-UHFFFAOYSA-N 0 1 394.494 3.771 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001307704589 1049521072 /nfs/dbraw/zinc/52/10/72/1049521072.db2.gz CWNOIMVWSNZVRX-KSSFIOAISA-N 0 1 394.487 3.907 20 10 GHCDMN COc1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1Cn1cccn1 ZINC001308280405 1049935506 /nfs/dbraw/zinc/93/55/06/1049935506.db2.gz IUTIYPVUUGKRMR-JOCHJYFZSA-N 0 1 387.487 3.668 20 10 GHCDMN COc1cc(Br)cc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001308355736 1049956875 /nfs/dbraw/zinc/95/68/75/1049956875.db2.gz MBLYALCKMLYEGI-UHFFFAOYSA-N 0 1 390.325 3.822 20 10 GHCDMN CCO/C=C/[C@@](O)(CNCc1ccc(N(CC)CC)c(F)c1)C(F)(F)F ZINC001308528531 1049999819 /nfs/dbraw/zinc/99/98/19/1049999819.db2.gz QMFUEBUBNZFHEB-OAGJVSPASA-N 0 1 378.410 3.605 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001308607986 1050029744 /nfs/dbraw/zinc/02/97/44/1050029744.db2.gz FXIURLLBEYONLV-GJZGRUSLSA-N 0 1 388.277 3.610 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001308607986 1050029747 /nfs/dbraw/zinc/02/97/47/1050029747.db2.gz FXIURLLBEYONLV-GJZGRUSLSA-N 0 1 388.277 3.610 20 10 GHCDMN C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001308748509 1050080474 /nfs/dbraw/zinc/08/04/74/1050080474.db2.gz OPTRMIHCOXHBNG-UHFFFAOYSA-N 0 1 383.673 3.539 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756382311 1051061902 /nfs/dbraw/zinc/06/19/02/1051061902.db2.gz BGVCOZHQSPCIRW-ZACQAIPSSA-N 0 1 399.491 3.760 20 10 GHCDMN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001331294189 1051239927 /nfs/dbraw/zinc/23/99/27/1051239927.db2.gz ADSFHOCKIFEXLU-CQSZACIVSA-N 0 1 390.281 3.551 20 10 GHCDMN Cc1cccc2c1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)CO2 ZINC001313059147 1052946563 /nfs/dbraw/zinc/94/65/63/1052946563.db2.gz PEOSOBNDRXXONA-ZDUSSCGKSA-N 0 1 381.259 3.810 20 10 GHCDMN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC001320396757 1055786875 /nfs/dbraw/zinc/78/68/75/1055786875.db2.gz DFPADJHNFIABOF-XJKSGUPXSA-N 0 1 383.330 3.844 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000848557480 1057176506 /nfs/dbraw/zinc/17/65/06/1057176506.db2.gz FBJGVHRKOCFNNS-BDJLRTHQSA-N 0 1 375.266 3.759 20 10 GHCDMN c1ccc(CN2CCc3cc(CNCc4n[nH]c([C@@H]5CCCO5)n4)ccc32)cc1 ZINC000848563234 1057180970 /nfs/dbraw/zinc/18/09/70/1057180970.db2.gz SJMWYNSPPIQQKD-NRFANRHFSA-N 0 1 389.503 3.509 20 10 GHCDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001338271447 1058487303 /nfs/dbraw/zinc/48/73/03/1058487303.db2.gz BRNZPCXTBXRJIN-ONGXBYRLSA-N 0 1 384.499 3.697 20 10 GHCDMN CC[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCc2ccccc2C1 ZINC001441238002 1058731130 /nfs/dbraw/zinc/73/11/30/1058731130.db2.gz IZBJREPLJNZJFG-KRWDZBQOSA-N 0 1 396.512 3.879 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001450720595 1060666525 /nfs/dbraw/zinc/66/65/25/1060666525.db2.gz BAGGUVGXQBJXNQ-NSHDSACASA-N 0 1 397.233 3.507 20 10 GHCDMN CN(C)c1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001346165372 1061420142 /nfs/dbraw/zinc/42/01/42/1061420142.db2.gz NPYNQUVLPGBWGJ-UHFFFAOYSA-N 0 1 382.291 3.807 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cnc(C(C)C)[nH]2)cc1 ZINC001456340670 1062625129 /nfs/dbraw/zinc/62/51/29/1062625129.db2.gz JJDXIOGQCXFIAX-UHFFFAOYSA-N 0 1 378.476 3.612 20 10 GHCDMN CCCc1ccccc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001352969105 1065526090 /nfs/dbraw/zinc/52/60/90/1065526090.db2.gz HMAWUZLBDLLHQT-UHFFFAOYSA-N 0 1 383.511 3.850 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC001200253323 1065743968 /nfs/dbraw/zinc/74/39/68/1065743968.db2.gz AADAZGXUMQPXKP-ZDUSSCGKSA-N 0 1 395.881 3.926 20 10 GHCDMN Cn1ccc2ccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc21 ZINC001465951647 1065935653 /nfs/dbraw/zinc/93/56/53/1065935653.db2.gz PTBWFOLIBPAJRR-IBGZPJMESA-N 0 1 397.906 3.932 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C)[C@@H](C(C)(C)C)C3)c2C)cc1 ZINC001469614202 1068258769 /nfs/dbraw/zinc/25/87/69/1068258769.db2.gz AKMZAJJRAPNWRJ-OAQYLSRUSA-N 0 1 383.536 3.905 20 10 GHCDMN CCSc1cccc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001470400333 1072529587 /nfs/dbraw/zinc/52/95/87/1072529587.db2.gz AHTNRHUXCLDXKT-UHFFFAOYSA-N 0 1 398.576 3.550 20 10 GHCDMN CN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001479185546 1079141051 /nfs/dbraw/zinc/14/10/51/1079141051.db2.gz MJBNGKOIDSICJH-LEWJYISDSA-N 0 1 386.584 3.795 20 10 GHCDMN CCN(CC(=O)N(CC(C)C)C1CC1)Cc1cc(Br)ccc1O ZINC001473191200 1073843524 /nfs/dbraw/zinc/84/35/24/1073843524.db2.gz JPEWUSQRMGCDDL-UHFFFAOYSA-N 0 1 383.330 3.624 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001474391992 1074381953 /nfs/dbraw/zinc/38/19/53/1074381953.db2.gz REOZHAKRXHFOHY-QGZVFWFLSA-N 0 1 384.220 3.526 20 10 GHCDMN COc1ccc(OCC[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001474407313 1074392705 /nfs/dbraw/zinc/39/27/05/1074392705.db2.gz QEGSNWVFXVUKSI-UHFFFAOYSA-N 0 1 384.245 3.813 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185252 603399021 /nfs/dbraw/zinc/39/90/21/603399021.db2.gz OTSSNSPVSRURQE-BZNIZROVSA-N 0 1 393.281 3.786 20 10 GHCDMN COc1ccc(C[N@@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])cc1 ZINC000728193844 835090745 /nfs/dbraw/zinc/09/07/45/835090745.db2.gz DRNKUUSYXPYKDL-UHFFFAOYSA-N 0 1 377.440 3.969 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278493294 835222759 /nfs/dbraw/zinc/22/27/59/835222759.db2.gz LXXQALQGAPCOAQ-AEFFLSMTSA-N 0 1 390.411 3.800 20 10 GHCDMN Fc1cc(CNCc2cnc(CC(F)(F)F)s2)ccc1N1CCOCC1 ZINC000892623327 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/nfs/dbraw/zinc/12/41/33/873124133.db2.gz AHFDXDHJRGMLJN-SJORKVTESA-N 0 1 383.330 3.684 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775723108 873159524 /nfs/dbraw/zinc/15/95/24/873159524.db2.gz DLSMAMYDNFPADD-LLVKDONJSA-N 0 1 396.812 3.808 20 10 GHCDMN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)o1 ZINC000527588227 873324961 /nfs/dbraw/zinc/32/49/61/873324961.db2.gz RNAXMKOETSBSOY-UHFFFAOYSA-N 0 1 376.884 3.958 20 10 GHCDMN CN1CCN(c2ccc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)cc2)CC1 ZINC000768530618 873364443 /nfs/dbraw/zinc/36/44/43/873364443.db2.gz NDQACJDLMGONGA-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000527937247 873777534 /nfs/dbraw/zinc/77/75/34/873777534.db2.gz HFMBFVREZZDESF-RNCFNFMXSA-N 0 1 378.192 3.805 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)ccc1[O-] ZINC000528002566 873871972 /nfs/dbraw/zinc/87/19/72/873871972.db2.gz JRWJUXNOMKXOQW-ZBEGNZNMSA-N 0 1 375.266 3.632 20 10 GHCDMN Fc1cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)ccc1N1CCOCC1 ZINC000769533548 874139622 /nfs/dbraw/zinc/13/96/22/874139622.db2.gz PGFTVHJXVPOJNJ-QGZVFWFLSA-N 0 1 390.886 3.969 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@@H]2CCCCO2)C1 ZINC000769663724 874220635 /nfs/dbraw/zinc/22/06/35/874220635.db2.gz PXUJGDHGSWTTIV-SFHVURJKSA-N 0 1 384.520 3.910 20 10 GHCDMN Cc1cncc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000769664097 874220965 /nfs/dbraw/zinc/22/09/65/874220965.db2.gz WNUOPWGDIVFSHL-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(OCC(F)F)cc3)CC2)cc1F ZINC000770300989 874584270 /nfs/dbraw/zinc/58/42/70/874584270.db2.gz JPAJSFHCBRWPFA-UHFFFAOYSA-N 0 1 380.410 3.800 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372750 874613283 /nfs/dbraw/zinc/61/32/83/874613283.db2.gz FUHDMKQHWVRCSX-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372750 874613291 /nfs/dbraw/zinc/61/32/91/874613291.db2.gz FUHDMKQHWVRCSX-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN O=C1CCCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858105193 882850926 /nfs/dbraw/zinc/85/09/26/882850926.db2.gz BTCUEVUZRNVGJM-UHFFFAOYSA-N 0 1 389.293 3.961 20 10 GHCDMN COc1cccc(O)c1CNc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000770545125 874754942 /nfs/dbraw/zinc/75/49/42/874754942.db2.gz KFGIMLYPGJEVAN-UHFFFAOYSA-N 0 1 383.492 3.827 20 10 GHCDMN Cc1nc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1 ZINC000771056697 875012984 /nfs/dbraw/zinc/01/29/84/875012984.db2.gz GOYZEDJVQYIROX-INIZCTEOSA-N 0 1 393.940 3.524 20 10 GHCDMN Cc1ccc(CNCc2c(O)cccc2Br)c(N2CCCC2)n1 ZINC000858158040 882895973 /nfs/dbraw/zinc/89/59/73/882895973.db2.gz YVXIUSRWNMWZJO-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)c(N2CCCC2)n1 ZINC000858158040 882895993 /nfs/dbraw/zinc/89/59/93/882895993.db2.gz YVXIUSRWNMWZJO-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Br ZINC000858171420 882906371 /nfs/dbraw/zinc/90/63/71/882906371.db2.gz XVWZOYJRSNPKCS-LBPRGKRZSA-N 0 1 387.318 3.938 20 10 GHCDMN CC(C)N(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000771792122 875463856 /nfs/dbraw/zinc/46/38/56/875463856.db2.gz WHOKGRWYHICNMM-UHFFFAOYSA-N 0 1 383.540 3.913 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000850500769 876975449 /nfs/dbraw/zinc/97/54/49/876975449.db2.gz JNFPVXQQGIQRTC-CVEARBPZSA-N 0 1 389.293 3.783 20 10 GHCDMN COC(=O)c1nc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])ccc1Cl ZINC000850513952 876984437 /nfs/dbraw/zinc/98/44/37/876984437.db2.gz QSYICEFWCYWBCH-SECBINFHSA-N 0 1 399.672 3.841 20 10 GHCDMN COCCN(Cc1scnc1C)Cc1cc(Br)cc(C)c1O ZINC000787307958 877333295 /nfs/dbraw/zinc/33/32/95/877333295.db2.gz AZLUYCCHVJKQQD-UHFFFAOYSA-N 0 1 385.327 3.877 20 10 GHCDMN CC[NH+](CC)CCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000787788963 877620784 /nfs/dbraw/zinc/62/07/84/877620784.db2.gz YFIAQMFKLURZII-UHFFFAOYSA-N 0 1 393.890 3.868 20 10 GHCDMN C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(Cl)c(Cl)c1O ZINC000788608601 878166776 /nfs/dbraw/zinc/16/67/76/878166776.db2.gz KGJVYTGDKFGBOX-NSHDSACASA-N 0 1 394.302 3.716 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789312549 878830864 /nfs/dbraw/zinc/83/08/64/878830864.db2.gz XGPDVCVTTMXVNK-UHFFFAOYSA-N 0 1 383.511 3.672 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597956 879105628 /nfs/dbraw/zinc/10/56/28/879105628.db2.gz UCMCQDRHUUQLCG-QGZVFWFLSA-N 0 1 379.287 3.932 20 10 GHCDMN C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)C1=O ZINC000790610578 879884930 /nfs/dbraw/zinc/88/49/30/879884930.db2.gz SUYLAEJULNCKHQ-NRFANRHFSA-N 0 1 399.878 3.560 20 10 GHCDMN C[C@@H](O)[C@@](C)(C[NH2+]Cc1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000791002444 880127945 /nfs/dbraw/zinc/12/79/45/880127945.db2.gz ICTRYDKFSLQMDV-AUUYWEPGSA-N 0 1 378.310 3.874 20 10 GHCDMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1F ZINC000746979893 880219525 /nfs/dbraw/zinc/21/95/25/880219525.db2.gz XSYMRDRUKQAIBQ-IBGZPJMESA-N 0 1 388.487 3.511 20 10 GHCDMN O=C(c1cc2occc2s1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792165818 880957056 /nfs/dbraw/zinc/95/70/56/880957056.db2.gz LDKAEHRSYYOUQJ-UHFFFAOYSA-N 0 1 394.855 3.950 20 10 GHCDMN COc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1OC ZINC000804935734 883504232 /nfs/dbraw/zinc/50/42/32/883504232.db2.gz WIAMFPBBJOCSJE-UHFFFAOYSA-N 0 1 385.247 3.716 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000805229809 883676604 /nfs/dbraw/zinc/67/66/04/883676604.db2.gz YDPCUWQJZKMXDU-WQVCFCJDSA-N 0 1 385.291 3.846 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CC3CCC(F)(F)CC3)cc2F)CC1 ZINC000859260642 883700152 /nfs/dbraw/zinc/70/01/52/883700152.db2.gz BBQMHGRXPINEHG-UHFFFAOYSA-N 0 1 397.485 3.799 20 10 GHCDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc4cc(O)c(O)cc4s3)cccc21 ZINC000897603341 884046312 /nfs/dbraw/zinc/04/63/12/884046312.db2.gz AITWIIOPRIJFFH-AWEZNQCLSA-N 0 1 384.457 3.950 20 10 GHCDMN COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](c3cccs3)C2)c1O ZINC000760407974 884067277 /nfs/dbraw/zinc/06/72/77/884067277.db2.gz KXSQHPLUUHLNEG-GOSISDBHSA-N 0 1 383.469 3.967 20 10 GHCDMN COc1ccccc1[C@H](NCc1c(O)ccc(Cl)c1F)c1noc(C)n1 ZINC000191054225 884151202 /nfs/dbraw/zinc/15/12/02/884151202.db2.gz GKZOOYMLVZJTEB-KRWDZBQOSA-N 0 1 377.803 3.764 20 10 GHCDMN CC(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241985 912815046 /nfs/dbraw/zinc/81/50/46/912815046.db2.gz OQOYBRZHLMRTRG-LJQANCHMSA-N 0 1 395.341 3.768 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(N2CCOC2=O)cc1 ZINC000806225603 884485743 /nfs/dbraw/zinc/48/57/43/884485743.db2.gz SQGFRYGVGSYCST-UHFFFAOYSA-N 0 1 396.230 3.977 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000914682565 884496910 /nfs/dbraw/zinc/49/69/10/884496910.db2.gz YPEKFUAHCMDGKJ-UHFFFAOYSA-N 0 1 390.413 3.998 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000806310057 884554107 /nfs/dbraw/zinc/55/41/07/884554107.db2.gz QHGWBRYNUVTKTP-MRXNPFEDSA-N 0 1 394.302 3.773 20 10 GHCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000153317106 884568447 /nfs/dbraw/zinc/56/84/47/884568447.db2.gz KRLKVGMCCHXNBF-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691665 912866334 /nfs/dbraw/zinc/86/63/34/912866334.db2.gz SSKNVBVJJSPZSN-JKSUJKDBSA-N 0 1 383.444 3.834 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691665 912866352 /nfs/dbraw/zinc/86/63/52/912866352.db2.gz SSKNVBVJJSPZSN-JKSUJKDBSA-N 0 1 383.444 3.834 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761981898 885087093 /nfs/dbraw/zinc/08/70/93/885087093.db2.gz JNLGNDRFQOGAGV-BVBGJJFLSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981898 885087103 /nfs/dbraw/zinc/08/71/03/885087103.db2.gz JNLGNDRFQOGAGV-BVBGJJFLSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981898 885087113 /nfs/dbraw/zinc/08/71/13/885087113.db2.gz JNLGNDRFQOGAGV-BVBGJJFLSA-N 0 1 376.909 3.901 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c2cccnc12 ZINC000761996495 885128954 /nfs/dbraw/zinc/12/89/54/885128954.db2.gz WGCLCIQPJONNMS-UHFFFAOYSA-N 0 1 388.445 3.537 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2c(cc1F)NC(=O)CC2 ZINC000807836221 885800600 /nfs/dbraw/zinc/80/06/00/885800600.db2.gz SEHAQPOLCIBJJS-UHFFFAOYSA-N 0 1 383.206 3.653 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807836392 885800942 /nfs/dbraw/zinc/80/09/42/885800942.db2.gz VZWPVMWAQXOXTQ-CQSZACIVSA-N 0 1 394.302 3.622 20 10 GHCDMN CC(C)C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCCCC1=O ZINC000807835868 885801063 /nfs/dbraw/zinc/80/10/63/885801063.db2.gz LJMCBRFKLPYEJG-HNNXBMFYSA-N 0 1 387.307 3.742 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OCC(F)F)nc1 ZINC000807838966 885806611 /nfs/dbraw/zinc/80/66/11/885806611.db2.gz UMRHFRIQLIBWMG-UHFFFAOYSA-N 0 1 377.174 3.668 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1nc(-c2ccsc2)oc1C ZINC000808095161 886013420 /nfs/dbraw/zinc/01/34/20/886013420.db2.gz UCGZQNYZCRMOBQ-UHFFFAOYSA-N 0 1 377.462 3.762 20 10 GHCDMN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862222299 886218317 /nfs/dbraw/zinc/21/83/17/886218317.db2.gz UOJRRIFUKJYJBU-UHFFFAOYSA-N 0 1 399.329 3.891 20 10 GHCDMN CCN(C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1)CC(F)(F)F ZINC000862250408 886252663 /nfs/dbraw/zinc/25/26/63/886252663.db2.gz NQCJJVSAGJPSMR-ZDUSSCGKSA-N 0 1 379.417 3.737 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302370 886287579 /nfs/dbraw/zinc/28/75/79/886287579.db2.gz RLVGEIJHSRLWBH-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302370 886287600 /nfs/dbraw/zinc/28/76/00/886287600.db2.gz RLVGEIJHSRLWBH-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN COC(=O)c1cnc(C2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)s1 ZINC000862474637 886399177 /nfs/dbraw/zinc/39/91/77/886399177.db2.gz XICNUXPQZFKTJO-UHFFFAOYSA-N 0 1 396.896 3.677 20 10 GHCDMN Oc1ccccc1CN(Cc1cc2c(cc1Cl)OCCO2)C[C@@H]1CCCO1 ZINC000808736301 886749799 /nfs/dbraw/zinc/74/97/99/886749799.db2.gz PHKIFFJSUFYVCC-KRWDZBQOSA-N 0 1 389.879 3.998 20 10 GHCDMN COC(=O)[C@@H]1CC[C@H](N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001170579951 887438169 /nfs/dbraw/zinc/43/81/69/887438169.db2.gz BAEXUNFOYRVWQR-IRLDBZIGSA-N 0 1 394.515 3.729 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225411 888302160 /nfs/dbraw/zinc/30/21/60/888302160.db2.gz CVHFLUFELLGKPC-RYUDHWBXSA-N 0 1 384.320 3.615 20 10 GHCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000111995346 888576557 /nfs/dbraw/zinc/57/65/57/888576557.db2.gz OBIKTJXZSLMLJB-UHFFFAOYSA-N 0 1 394.880 3.528 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1[O-] ZINC000866533287 888922119 /nfs/dbraw/zinc/92/21/19/888922119.db2.gz PBQZMIAERKNJFP-GOEBONIOSA-N 0 1 384.314 3.781 20 10 GHCDMN CCc1c2ccccc2oc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001132902762 889805622 /nfs/dbraw/zinc/80/56/22/889805622.db2.gz PYAKRYUNZZCJHJ-UHFFFAOYSA-N 0 1 377.488 3.677 20 10 GHCDMN Cc1cc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)oc2cc1C ZINC001133123372 890257372 /nfs/dbraw/zinc/25/73/72/890257372.db2.gz IYNGNWRLOZBVSG-UHFFFAOYSA-N 0 1 377.488 3.731 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1[O-] ZINC000812741085 890923744 /nfs/dbraw/zinc/92/37/44/890923744.db2.gz QIDQTGKXFGJCSU-AAEUAGOBSA-N 0 1 393.256 3.750 20 10 GHCDMN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(Cn3cccn3)c1)CCO2 ZINC000873106068 891470242 /nfs/dbraw/zinc/47/02/42/891470242.db2.gz HLORIEPWAHBQIX-FQEVSTJZSA-N 0 1 379.460 3.562 20 10 GHCDMN CN(C)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1F ZINC000154355972 891742136 /nfs/dbraw/zinc/74/21/36/891742136.db2.gz CUKSVGGLQBFPGT-LEWJYISDSA-N 0 1 391.918 3.707 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000125109656 892290846 /nfs/dbraw/zinc/29/08/46/892290846.db2.gz HEELNXRXBJGJAN-KNQAVFIVSA-N 0 1 393.531 3.576 20 10 GHCDMN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)cc3C)n2)cc1 ZINC000917845163 892678397 /nfs/dbraw/zinc/67/83/97/892678397.db2.gz SXKCGYFJHARSSX-UHFFFAOYSA-N 0 1 390.486 3.937 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@H](c2cccs2)N(C)C)C2CC2)cc1 ZINC000918057646 893070184 /nfs/dbraw/zinc/07/01/84/893070184.db2.gz XUXNWTXPDPTHPE-LJQANCHMSA-N 0 1 386.565 3.791 20 10 GHCDMN C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000876761168 893317282 /nfs/dbraw/zinc/31/72/82/893317282.db2.gz ZMAAJYMPVFLDIS-GAJHUEQPSA-N 0 1 384.495 3.749 20 10 GHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876768279 893321411 /nfs/dbraw/zinc/32/14/11/893321411.db2.gz HCNBGSBHCOJGBZ-UHFFFAOYSA-N 0 1 395.547 3.725 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3conc3Cc3ccccc3)cc2)CC1 ZINC000815120781 893452537 /nfs/dbraw/zinc/45/25/37/893452537.db2.gz VHROFQPONMJKTD-UHFFFAOYSA-N 0 1 391.515 3.764 20 10 GHCDMN Cn1c2ccccc2nc1C(C)(C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877400352 893590288 /nfs/dbraw/zinc/59/02/88/893590288.db2.gz TXCUUOLUDSTKKV-UHFFFAOYSA-N 0 1 378.520 3.559 20 10 GHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000127198360 894375633 /nfs/dbraw/zinc/37/56/33/894375633.db2.gz ZPLOXJFIZFSUSB-CYBMUJFWSA-N 0 1 387.281 3.928 20 10 GHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000127198360 894375650 /nfs/dbraw/zinc/37/56/50/894375650.db2.gz ZPLOXJFIZFSUSB-CYBMUJFWSA-N 0 1 387.281 3.928 20 10 GHCDMN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)c(F)cc1O ZINC000816517404 894894057 /nfs/dbraw/zinc/89/40/57/894894057.db2.gz OMSPQDWEJQDJHP-MRXNPFEDSA-N 0 1 391.748 3.948 20 10 GHCDMN CC[NH+](CC)CCNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525553 894925568 /nfs/dbraw/zinc/92/55/68/894925568.db2.gz YQEBLLZKDDNTAG-UHFFFAOYSA-N 0 1 393.890 3.868 20 10 GHCDMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128554971 895791389 /nfs/dbraw/zinc/79/13/89/895791389.db2.gz NBFYJMFMBLHDGE-UXHICEINSA-N 0 1 395.547 3.529 20 10 GHCDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882029 895948087 /nfs/dbraw/zinc/94/80/87/895948087.db2.gz VFYHTYWIVSKWRO-ZBFHGGJFSA-N 0 1 395.341 3.982 20 10 GHCDMN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc([O-])c3Br)C2)cc1 ZINC000818219258 896084996 /nfs/dbraw/zinc/08/49/96/896084996.db2.gz AYVXRXOOYJHPQP-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN Cc1ncoc1-c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000820912182 897591994 /nfs/dbraw/zinc/59/19/94/897591994.db2.gz HXQZXEUOJIJPDI-UHFFFAOYSA-N 0 1 377.448 3.803 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cccc3F)cc2F)CC1 ZINC000134117876 899593410 /nfs/dbraw/zinc/59/34/10/899593410.db2.gz WEXQYURTMOBUOV-UHFFFAOYSA-N 0 1 388.462 3.737 20 10 GHCDMN C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824591890 899707705 /nfs/dbraw/zinc/70/77/05/899707705.db2.gz ASIFIYQGMDASSN-CQSZACIVSA-N 0 1 395.341 3.625 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825030244 899945567 /nfs/dbraw/zinc/94/55/67/899945567.db2.gz HJSFUFQWBIBXHA-PBHICJAKSA-N 0 1 396.325 3.971 20 10 GHCDMN CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844207862 900600509 /nfs/dbraw/zinc/60/05/09/900600509.db2.gz CIYRMFBYYXNEGS-PKNBQFBNSA-N 0 1 395.459 3.793 20 10 GHCDMN C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207763 900602251 /nfs/dbraw/zinc/60/22/51/900602251.db2.gz FPHGIBWRIOVETE-DDJMYBDESA-N 0 1 399.422 3.715 20 10 GHCDMN C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212635 900607094 /nfs/dbraw/zinc/60/70/94/900607094.db2.gz KLOPZOGSLGDTHG-PKXJPQMGSA-N 0 1 387.461 3.637 20 10 GHCDMN Cc1c(C)c(NS(=O)(=O)c2cnc(Cl)c(Br)c2)ccc1O ZINC001186337118 914485170 /nfs/dbraw/zinc/48/51/70/914485170.db2.gz QPRYSZRTIMJJHB-UHFFFAOYSA-N 0 1 391.674 3.621 20 10 GHCDMN COc1ccccc1N1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144299139 901649359 /nfs/dbraw/zinc/64/93/59/901649359.db2.gz QHYCKTQPNNATIG-UHFFFAOYSA-N 0 1 395.272 3.625 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001144300035 901651466 /nfs/dbraw/zinc/65/14/66/901651466.db2.gz PDDBBRUHZUIQIQ-UHFFFAOYSA-N 0 1 394.166 3.525 20 10 GHCDMN Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144308847 901703182 /nfs/dbraw/zinc/70/31/82/901703182.db2.gz ZTDAPSZFOQHDGH-CYBMUJFWSA-N 0 1 381.245 3.651 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000158646760 901942042 /nfs/dbraw/zinc/94/20/42/901942042.db2.gz YIQSPUIVMDDYCY-NRFANRHFSA-N 0 1 392.471 3.567 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000158646760 901942054 /nfs/dbraw/zinc/94/20/54/901942054.db2.gz YIQSPUIVMDDYCY-NRFANRHFSA-N 0 1 392.471 3.567 20 10 GHCDMN CSCC1(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000845832543 902437495 /nfs/dbraw/zinc/43/74/95/902437495.db2.gz DPXRCXASZIOGNI-INIZCTEOSA-N 0 1 382.957 3.660 20 10 GHCDMN COc1cccc(O)c1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000775030397 914630183 /nfs/dbraw/zinc/63/01/83/914630183.db2.gz SWHMASXQGNWDEB-UHFFFAOYSA-N 0 1 388.265 3.639 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846216929 902793347 /nfs/dbraw/zinc/79/33/47/902793347.db2.gz YCXQIBAIYBNTET-IAQYHMDHSA-N 0 1 377.282 3.582 20 10 GHCDMN C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000773406318 907207726 /nfs/dbraw/zinc/20/77/26/907207726.db2.gz BPWPZGJXBRYSIA-MSOLQXFVSA-N 0 1 395.551 3.733 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182572407 907231539 /nfs/dbraw/zinc/23/15/39/907231539.db2.gz SVKUEIAHOXPLDN-QFIPXVFZSA-N 0 1 390.474 3.651 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cc(Br)ccc1[O-] ZINC000185209838 907732963 /nfs/dbraw/zinc/73/29/63/907732963.db2.gz VEBMNDSBZURXNN-INIZCTEOSA-N 0 1 377.282 3.755 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Br)ccc1[O-] ZINC000185262994 907742390 /nfs/dbraw/zinc/74/23/90/907742390.db2.gz QKTDPIJUDVGAIO-GFCCVEGCSA-N 0 1 398.322 3.550 20 10 GHCDMN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000186373786 907915490 /nfs/dbraw/zinc/91/54/90/907915490.db2.gz SUOCNEGEGHKLRH-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000192815082 907930811 /nfs/dbraw/zinc/93/08/11/907930811.db2.gz JYEYQIGCFQNPNR-GDBMZVCRSA-N 0 1 391.313 3.654 20 10 GHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000807839484 909481354 /nfs/dbraw/zinc/48/13/54/909481354.db2.gz FUDOGENWTSAZQO-SECBINFHSA-N 0 1 377.268 3.619 20 10 GHCDMN CC[C@](C[NH2+]Cc1c([O-])cccc1Br)(C(=O)OC)c1ccccc1 ZINC001182327040 911488104 /nfs/dbraw/zinc/48/81/04/911488104.db2.gz OFPJQVAHCVXUJW-LJQANCHMSA-N 0 1 392.293 3.765 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cncc(F)c2)C1 ZINC000795630913 911494736 /nfs/dbraw/zinc/49/47/36/911494736.db2.gz UJWKTDCNYYCPRX-UHFFFAOYSA-N 0 1 381.451 3.685 20 10 GHCDMN COc1cc(Br)cc(CN(Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000092436336 911532547 /nfs/dbraw/zinc/53/25/47/911532547.db2.gz UQZKIOURXBCWPY-MRXNPFEDSA-N 0 1 396.281 3.938 20 10 GHCDMN CCOc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000248155411 911786142 /nfs/dbraw/zinc/78/61/42/911786142.db2.gz YYDRZHVIDBETLF-HSZRJFAPSA-N 0 1 395.547 3.947 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(C(=O)NC(C)(C)C)cc3)cc2)CC1 ZINC000775177177 916033572 /nfs/dbraw/zinc/03/35/72/916033572.db2.gz PCIYCTGDJLVONW-UHFFFAOYSA-N 0 1 380.536 3.579 20 10 GHCDMN CCn1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)nc2c1cccc2F ZINC000775262188 916728710 /nfs/dbraw/zinc/72/87/10/916728710.db2.gz ZIKDUHKFTDPSGV-INIZCTEOSA-N 0 1 382.483 3.883 20 10 GHCDMN Cn1ccnc1[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(C)(C)CO ZINC000295003844 917089813 /nfs/dbraw/zinc/08/98/13/917089813.db2.gz IUFBPZQTTKNFBM-NRFANRHFSA-N 0 1 395.503 3.554 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000362336347 917215456 /nfs/dbraw/zinc/21/54/56/917215456.db2.gz ONJNCGHWLPFFSP-HNNXBMFYSA-N 0 1 380.286 3.542 20 10 GHCDMN CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488968 918261487 /nfs/dbraw/zinc/26/14/87/918261487.db2.gz LFLDUHMSQJUTRQ-INIZCTEOSA-N 0 1 395.272 3.765 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cc(Br)ccc1[O-] ZINC000775492146 918277861 /nfs/dbraw/zinc/27/78/61/918277861.db2.gz MMYSUGAYHVHVED-GOEBONIOSA-N 0 1 376.298 3.851 20 10 GHCDMN COc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000296479824 918315741 /nfs/dbraw/zinc/31/57/41/918315741.db2.gz OFQZPQOSMFMINK-ZDUSSCGKSA-N 0 1 379.863 3.570 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837096 918321254 /nfs/dbraw/zinc/32/12/54/918321254.db2.gz BNXBNHLGLPVWFR-ZDUSSCGKSA-N 0 1 390.833 3.716 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837331 918348623 /nfs/dbraw/zinc/34/86/23/918348623.db2.gz HWHNKMDVYOYRKO-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837331 918348638 /nfs/dbraw/zinc/34/86/38/918348638.db2.gz HWHNKMDVYOYRKO-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)ccc1[O-] ZINC000775512103 918528300 /nfs/dbraw/zinc/52/83/00/918528300.db2.gz MHSCWPDOYIVVPG-INIZCTEOSA-N 0 1 383.330 3.987 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2ccccn2)C1 ZINC000654131672 918815212 /nfs/dbraw/zinc/81/52/12/918815212.db2.gz WIQZRRCJNIUZLQ-SFHVURJKSA-N 0 1 390.531 3.550 20 10 GHCDMN Cc1[nH]c(SCC(=O)NCc2ccc(N(C)C)cc2)nc1Cc1ccccc1 ZINC000007246628 918921422 /nfs/dbraw/zinc/92/14/22/918921422.db2.gz KOMCLEKLUQFMIS-UHFFFAOYSA-N 0 1 394.544 3.783 20 10 GHCDMN CC(C)(C)OCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000802782547 922398811 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CC(C)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1nc(-c2nc[nH]n2)no1 ZINC000752103447 928615738 /nfs/dbraw/zinc/61/57/38/928615738.db2.gz QSIBPFURLWAHFP-GOSISDBHSA-N 0 1 390.447 3.714 20 10 GHCDMN CC(=O)NC1CCC([N@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753591437 929435695 /nfs/dbraw/zinc/43/56/95/929435695.db2.gz SHJVJKMHGXHMAH-UHFFFAOYSA-N 0 1 382.504 3.850 20 10 GHCDMN CC(=O)NC1CCC([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753591437 929435701 /nfs/dbraw/zinc/43/57/01/929435701.db2.gz SHJVJKMHGXHMAH-UHFFFAOYSA-N 0 1 382.504 3.850 20 10 GHCDMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000753858664 929566001 /nfs/dbraw/zinc/56/60/01/929566001.db2.gz ZLUDPYLRQXJLHI-GOSISDBHSA-N 0 1 398.400 3.709 20 10 GHCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000783602797 931593412 /nfs/dbraw/zinc/59/34/12/931593412.db2.gz MINMSRVQLYIZLM-LBPRGKRZSA-N 0 1 393.119 3.918 20 10 GHCDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777566190 931829784 /nfs/dbraw/zinc/82/97/84/931829784.db2.gz JXDXCTAOESCETK-HNNXBMFYSA-N 0 1 383.883 3.930 20 10 GHCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000777565503 931835334 /nfs/dbraw/zinc/83/53/34/931835334.db2.gz FOZMNASDNYPECC-GFCCVEGCSA-N 0 1 392.377 3.792 20 10 GHCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000777565503 931835339 /nfs/dbraw/zinc/83/53/39/931835339.db2.gz FOZMNASDNYPECC-GFCCVEGCSA-N 0 1 392.377 3.792 20 10 GHCDMN CC(C)CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccoc1 ZINC000796760484 932057552 /nfs/dbraw/zinc/05/75/52/932057552.db2.gz MGGWDPAGRZWMKU-NRFANRHFSA-N 0 1 390.549 3.782 20 10 GHCDMN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000797104229 932184564 /nfs/dbraw/zinc/18/45/64/932184564.db2.gz XVROXNICSWLZQU-AWEZNQCLSA-N 0 1 390.343 3.553 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000797429451 932281986 /nfs/dbraw/zinc/28/19/86/932281986.db2.gz QISSCUMHUFSCNR-UHFFFAOYSA-N 0 1 387.288 3.631 20 10 GHCDMN CN(C)c1ccc(CNCc2cc(Cl)ccc2N2CCOCC2)cc1F ZINC000798498492 932673635 /nfs/dbraw/zinc/67/36/35/932673635.db2.gz CHTMZKQHOSGQBB-UHFFFAOYSA-N 0 1 377.891 3.672 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001139682963 933155556 /nfs/dbraw/zinc/15/55/56/933155556.db2.gz GBKRQTPACADFNT-UHFFFAOYSA-N 0 1 397.263 3.751 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000929086125 933237066 /nfs/dbraw/zinc/23/70/66/933237066.db2.gz ZWNSMXVDFRWEGR-UHFFFAOYSA-N 0 1 383.883 3.754 20 10 GHCDMN Cc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1N1CCCCC1 ZINC000829444084 935810051 /nfs/dbraw/zinc/81/00/51/935810051.db2.gz UTVRXAZRPMCMID-UHFFFAOYSA-N 0 1 397.485 3.876 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001594538269 986165209 /nfs/dbraw/zinc/16/52/09/986165209.db2.gz KOFXWBKOTGDEOZ-ZACQAIPSSA-N 0 1 398.503 3.550 20 10 GHCDMN COc1ccccc1[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001599704982 991278251 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0 1 399.424 3.590 20 10 GHCDMN COc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657788 1032506452 /nfs/dbraw/zinc/50/64/52/1032506452.db2.gz MZCGVPAIXJSRBD-CYBMUJFWSA-N 0 1 399.443 3.618 20 10 GHCDMN C[C@@H]1COCC[C@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660169 1032508457 /nfs/dbraw/zinc/50/84/57/1032508457.db2.gz VYYZUBLDGPZFFO-YMTOWFKASA-N 0 1 398.367 3.613 20 10 GHCDMN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001204211801 1032662424 /nfs/dbraw/zinc/66/24/24/1032662424.db2.gz FUKXFITYKHHIGD-AWEZNQCLSA-N 0 1 393.314 3.974 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001204211801 1032662434 /nfs/dbraw/zinc/66/24/34/1032662434.db2.gz FUKXFITYKHHIGD-AWEZNQCLSA-N 0 1 393.314 3.974 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc4ccsc4cn3)CC2)cc1 ZINC001156260533 1032947855 /nfs/dbraw/zinc/94/78/55/1032947855.db2.gz GJKOYXLBXSXQJC-UHFFFAOYSA-N 0 1 382.533 3.929 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(C)cc4cccnc43)CC2)cc1 ZINC001156262944 1032949000 /nfs/dbraw/zinc/94/90/00/1032949000.db2.gz JUFOHBRBRXRJNZ-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@@H]1CCc2ccccc21 ZINC001228517226 1032967286 /nfs/dbraw/zinc/96/72/86/1032967286.db2.gz QZWOPWMDRUHWMF-LJQANCHMSA-N 0 1 378.380 3.806 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001140339296 1021446204 /nfs/dbraw/zinc/44/62/04/1021446204.db2.gz HOEVHZJELQBCJM-QGZVFWFLSA-N 0 1 388.895 3.781 20 10 GHCDMN CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001140339686 1021446990 /nfs/dbraw/zinc/44/69/90/1021446990.db2.gz LKFXSKZWSOTQIB-SFHVURJKSA-N 0 1 384.907 3.884 20 10 GHCDMN O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001140464746 1021757788 /nfs/dbraw/zinc/75/77/88/1021757788.db2.gz AJMBGFWMCYAIMK-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001140464746 1021757805 /nfs/dbraw/zinc/75/78/05/1021757805.db2.gz AJMBGFWMCYAIMK-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3[O-])C[C@H]12 ZINC001140465282 1021758641 /nfs/dbraw/zinc/75/86/41/1021758641.db2.gz MTGIDUVHWGGVST-FCHUYYIVSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@H]12 ZINC001140465282 1021758652 /nfs/dbraw/zinc/75/86/52/1021758652.db2.gz MTGIDUVHWGGVST-FCHUYYIVSA-N 0 1 384.907 3.810 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001140466529 1021760649 /nfs/dbraw/zinc/76/06/49/1021760649.db2.gz FODFSGITRKMAIB-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001140466529 1021760666 /nfs/dbraw/zinc/76/06/66/1021760666.db2.gz FODFSGITRKMAIB-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN CSCC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835037348 1021795030 /nfs/dbraw/zinc/79/50/30/1021795030.db2.gz VDDCNEDVFQVHKT-RURPWVQCSA-N 0 1 381.549 3.893 20 10 GHCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@H](OCc2ccccc2)C1 ZINC001140663888 1022205762 /nfs/dbraw/zinc/20/57/62/1022205762.db2.gz ROBSENCPCZPBEW-QFIPXVFZSA-N 0 1 384.495 3.844 20 10 GHCDMN CCN(CC)c1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)c(O)c1 ZINC001140855182 1022710366 /nfs/dbraw/zinc/71/03/66/1022710366.db2.gz QMPXPMKADMJVSN-UHFFFAOYSA-N 0 1 376.504 3.982 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001140855720 1022711067 /nfs/dbraw/zinc/71/10/67/1022711067.db2.gz ASPUDGONMRZMAF-QGZVFWFLSA-N 0 1 393.329 3.644 20 10 GHCDMN Cc1cc(C(=O)CN(CC(C)(C)O)C2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000754661300 1022815315 /nfs/dbraw/zinc/81/53/15/1022815315.db2.gz YCVNGQGHVHBSEK-UHFFFAOYSA-N 0 1 398.547 3.837 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c(Cl)c1 ZINC001140924229 1022900859 /nfs/dbraw/zinc/90/08/59/1022900859.db2.gz LMSGNTGVMVITHN-NHCUHLMSSA-N 0 1 398.938 3.567 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N([C@@H](C)C(C)C)C3CC3)cc2F)CC1 ZINC000754918806 1022966912 /nfs/dbraw/zinc/96/69/12/1022966912.db2.gz MNCUSCYLCRBGBM-KRWDZBQOSA-N 0 1 390.547 3.686 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cc(C)nc3C)cc2F)CC1 ZINC000836629245 1023190392 /nfs/dbraw/zinc/19/03/92/1023190392.db2.gz MKJMIFCQDHHGNS-UHFFFAOYSA-N 0 1 399.514 3.610 20 10 GHCDMN C[C@@H]1C[C@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2c1c(F)ccc2O ZINC000756362618 1023608341 /nfs/dbraw/zinc/60/83/41/1023608341.db2.gz AWUGNSXXQWLYEC-SKDRFNHKSA-N 0 1 380.345 3.931 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000756475286 1023674427 /nfs/dbraw/zinc/67/44/27/1023674427.db2.gz MVUIECHPVOOAPB-OCCSQVGLSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756477496 1023676072 /nfs/dbraw/zinc/67/60/72/1023676072.db2.gz XUQFBGDPXPHYHW-KUHUBIRLSA-N 0 1 378.875 3.909 20 10 GHCDMN COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000756635719 1023747927 /nfs/dbraw/zinc/74/79/27/1023747927.db2.gz HGJUIXRALBNZOY-DZGCQCFKSA-N 0 1 379.884 3.565 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001138127305 1024174126 /nfs/dbraw/zinc/17/41/26/1024174126.db2.gz WKAWHWOECXLKJO-QFIPXVFZSA-N 0 1 388.458 3.789 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2cn(CC3CC3)nc21 ZINC001138355628 1024719286 /nfs/dbraw/zinc/71/92/86/1024719286.db2.gz VNXLDUAEYYUTCI-JOCHJYFZSA-N 0 1 394.563 3.811 20 10 GHCDMN COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372995 1024761208 /nfs/dbraw/zinc/76/12/08/1024761208.db2.gz IKMNHDWSQBNYGY-JTQLQIEISA-N 0 1 376.678 3.583 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001141374904 1024767952 /nfs/dbraw/zinc/76/79/52/1024767952.db2.gz RWECIQRDKLUYJD-UHFFFAOYSA-N 0 1 396.716 3.915 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141377396 1024775176 /nfs/dbraw/zinc/77/51/76/1024775176.db2.gz MIIVJOLMSMZUIV-UHFFFAOYSA-N 0 1 391.693 3.818 20 10 GHCDMN Cc1cc(CNCc2ccc(N3CCCCC3)c(Br)c2)ncn1 ZINC000838983444 1025501434 /nfs/dbraw/zinc/50/14/34/1025501434.db2.gz UAYOASZBKKCGDU-UHFFFAOYSA-N 0 1 375.314 3.828 20 10 GHCDMN Fc1cc(CNCc2cc(Cl)cc3c2OCC3)cc(F)c1N1CCOCC1 ZINC000839146168 1025644381 /nfs/dbraw/zinc/64/43/81/1025644381.db2.gz YHBHOEHSDMBOMR-UHFFFAOYSA-N 0 1 394.849 3.680 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001139129349 1025942016 /nfs/dbraw/zinc/94/20/16/1025942016.db2.gz WUBROIJYPSFTCZ-UVFQYZLESA-N 0 1 399.487 3.749 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC001461096060 1069386510 /nfs/dbraw/zinc/38/65/10/1069386510.db2.gz NVGKVLPPCMXTBI-CYBMUJFWSA-N 0 1 389.801 3.902 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC001141737889 1026387384 /nfs/dbraw/zinc/38/73/84/1026387384.db2.gz LTPQGNGKQSHEDK-UHFFFAOYSA-N 0 1 381.190 3.819 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncccc3C(F)F)CC2)cc1 ZINC001164330534 1026488030 /nfs/dbraw/zinc/48/80/30/1026488030.db2.gz XPPBGMBFDDKQBP-UHFFFAOYSA-N 0 1 376.451 3.652 20 10 GHCDMN O=C(CCC[NH+]1CCN(Cc2c(F)ccc(F)c2[O-])CC1)c1ccc(F)cc1 ZINC001139689241 1026541539 /nfs/dbraw/zinc/54/15/39/1026541539.db2.gz GSCKRDMEPZWWAS-UHFFFAOYSA-N 0 1 392.421 3.590 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001140098818 1026874915 /nfs/dbraw/zinc/87/49/15/1026874915.db2.gz MOJFRTAKOYPWRW-UHFFFAOYSA-N 0 1 376.294 3.724 20 10 GHCDMN O=C1OC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)c2ccccc21 ZINC001140101173 1026881565 /nfs/dbraw/zinc/88/15/65/1026881565.db2.gz LXJPJUMQTDEZCG-UHFFFAOYSA-N 0 1 388.261 3.816 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001140198450 1026971242 /nfs/dbraw/zinc/97/12/42/1026971242.db2.gz DLDLKINXOSZKIK-UHFFFAOYSA-N 0 1 376.840 3.851 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)NC3(C(F)(F)F)CCCCC3)cc2)CC1 ZINC001209957408 1027292569 /nfs/dbraw/zinc/29/25/69/1027292569.db2.gz ZGWAILWGAHAJGK-UHFFFAOYSA-N 0 1 398.473 3.503 20 10 GHCDMN CC(C)[C@@H]1COCCN1Cc1cc(Br)cc(Br)c1O ZINC001203568046 1027439219 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385.321 3.861 20 10 GHCDMN CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236673444 1041820607 /nfs/dbraw/zinc/82/06/07/1041820607.db2.gz MBECYJYAKVMQSZ-AWEZNQCLSA-N 0 1 383.330 3.544 20 10 GHCDMN COc1cc(CN2CCC3(CCC(=O)CC3)CC2)c(O)cc1Br ZINC001236752023 1041873461 /nfs/dbraw/zinc/87/34/61/1041873461.db2.gz SVMDDLQDDCTHEU-UHFFFAOYSA-N 0 1 382.298 3.889 20 10 GHCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001236792934 1041898155 /nfs/dbraw/zinc/89/81/55/1041898155.db2.gz KAAZVCCXFZJMKC-LIRRHRJNSA-N 0 1 395.286 3.906 20 10 GHCDMN Cc1cccc(N2CCN(Cc3cc(OCc4ccccc4)ccc3O)CC2)n1 ZINC001236792546 1041898481 /nfs/dbraw/zinc/89/84/81/1041898481.db2.gz NTVGNGCULUETDW-UHFFFAOYSA-N 0 1 389.499 3.997 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)c(Cl)c1 ZINC001236797994 1041901547 /nfs/dbraw/zinc/90/15/47/1041901547.db2.gz RJFYMEWPFMCWNS-UHFFFAOYSA-N 0 1 386.883 3.785 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 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/nfs/dbraw/zinc/46/84/63/868468463.db2.gz OLYLEMBIFRHQGJ-OAHLLOKOSA-N 0 1 378.266 3.817 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000743871065 868468469 /nfs/dbraw/zinc/46/84/69/868468469.db2.gz OLYLEMBIFRHQGJ-OAHLLOKOSA-N 0 1 378.266 3.817 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000745783837 869808913 /nfs/dbraw/zinc/80/89/13/869808913.db2.gz FGSPXCSGFOEUOU-LJQANCHMSA-N 0 1 385.508 3.746 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1F ZINC000745812162 869834312 /nfs/dbraw/zinc/83/43/12/869834312.db2.gz PXXWPNJOFVMOAB-UHFFFAOYSA-N 0 1 383.471 3.856 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000775521878 870280880 /nfs/dbraw/zinc/28/08/80/870280880.db2.gz CXDFXDSAHALMDL-ZBFHGGJFSA-N 0 1 384.314 3.924 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2ccco2)C1 ZINC000766401409 870701477 /nfs/dbraw/zinc/70/14/77/870701477.db2.gz ZUYPQLTWQPNWCA-KRWDZBQOSA-N 0 1 379.504 3.748 20 10 GHCDMN Cc1ncc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000766431732 870760993 /nfs/dbraw/zinc/76/09/93/870760993.db2.gz QKANSDGNVRJQCT-UHFFFAOYSA-N 0 1 383.517 3.916 20 10 GHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001193612509 871187684 /nfs/dbraw/zinc/18/76/84/871187684.db2.gz PHKBWEJAVZCYOH-KBPBESRZSA-N 0 1 398.887 3.659 20 10 GHCDMN O=C(N[C@@H]1CCc2cc(Br)ccc2C1)c1cc(O)c(O)c(Cl)c1 ZINC001193633816 871201396 /nfs/dbraw/zinc/20/13/96/871201396.db2.gz HTBBTUUUCPMIEJ-CYBMUJFWSA-N 0 1 396.668 3.801 20 10 GHCDMN CCOc1ccccc1C(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775649314 872323995 /nfs/dbraw/zinc/32/39/95/872323995.db2.gz OCKXZYYYXMZLGX-UHFFFAOYSA-N 0 1 392.858 3.541 20 10 GHCDMN COC(=O)c1ccc(-c2nc(CN[C@H](C)c3cc(OC)ccc3O)co2)cc1 ZINC000182434653 872342534 /nfs/dbraw/zinc/34/25/34/872342534.db2.gz QEZGCOVBOIVPFY-CYBMUJFWSA-N 0 1 382.416 3.693 20 10 GHCDMN CC1(C)CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000775655316 872376312 /nfs/dbraw/zinc/37/63/12/872376312.db2.gz XLHLJUVXQIXALH-UHFFFAOYSA-N 0 1 379.092 3.528 20 10 GHCDMN CC[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000775654303 872386627 /nfs/dbraw/zinc/38/66/27/872386627.db2.gz XLEHNKMSWJZGEZ-JTQLQIEISA-N 0 1 393.119 3.776 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000102038932 872496460 /nfs/dbraw/zinc/49/64/60/872496460.db2.gz OZZVEOOSOKGPKO-FQEVSTJZSA-N 0 1 384.524 3.633 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)C4CCCCC4)CC3)c2c1 ZINC000921187167 882675654 /nfs/dbraw/zinc/67/56/54/882675654.db2.gz JWUZRVBYYIPUJS-UHFFFAOYSA-N 0 1 382.504 3.779 20 10 GHCDMN COCOc1ccc(OC)cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000768160956 873120787 /nfs/dbraw/zinc/12/07/87/873120787.db2.gz FGBAAUROJHMJKF-FQEVSTJZSA-N 0 1 387.476 3.565 20 10 GHCDMN C[C@](O)(C1CCN(Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000768532599 873365534 /nfs/dbraw/zinc/36/55/34/873365534.db2.gz MTFHMZBTWVIBFW-AWEZNQCLSA-N 0 1 382.220 3.680 20 10 GHCDMN CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000527995663 873864645 /nfs/dbraw/zinc/86/46/45/873864645.db2.gz AUGNJVKGRMNLHQ-HOCLYGCPSA-N 0 1 375.266 3.759 20 10 GHCDMN CCOC(=O)C1(O)CCN(Cc2ccc(N(CC)Cc3ccccc3)cc2)CC1 ZINC000769476271 874095132 /nfs/dbraw/zinc/09/51/32/874095132.db2.gz XSCWKKUMQONNJS-UHFFFAOYSA-N 0 1 396.531 3.603 20 10 GHCDMN CCCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775830489 874290559 /nfs/dbraw/zinc/29/05/59/874290559.db2.gz KEBIZSLMILLQJH-AWEZNQCLSA-N 0 1 375.542 3.626 20 10 GHCDMN COc1cccc([C@@H](C[NH2+]Cc2c([O-])cccc2Br)N(C)C)c1 ZINC000858086405 882832713 /nfs/dbraw/zinc/83/27/13/882832713.db2.gz HOBKDIRYMXEXHL-QGZVFWFLSA-N 0 1 379.298 3.556 20 10 GHCDMN COc1cc2c(cc1CNCc1c(O)cccc1Br)O[C@@H](C)C2 ZINC000858093621 882837560 /nfs/dbraw/zinc/83/75/60/882837560.db2.gz FMUMDBFQBAGNEO-NSHDSACASA-N 0 1 378.266 3.777 20 10 GHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000858098006 882844082 /nfs/dbraw/zinc/84/40/82/882844082.db2.gz DPBIWHVJYBJNJA-NSHDSACASA-N 0 1 375.266 3.890 20 10 GHCDMN COc1ccc(N2CCN(Cc3c[nH]nc3-c3cccc(C)c3)CC2)cc1F ZINC000770304922 874587059 /nfs/dbraw/zinc/58/70/59/874587059.db2.gz FJNWAXWUEWNEIU-UHFFFAOYSA-N 0 1 380.467 3.855 20 10 GHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc2c(c1)CC(=O)N2C ZINC000858123479 882863249 /nfs/dbraw/zinc/86/32/49/882863249.db2.gz AAPHLALDEVPGCO-NSHDSACASA-N 0 1 375.266 3.524 20 10 GHCDMN O=C(CCCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000770790419 874871629 /nfs/dbraw/zinc/87/16/29/874871629.db2.gz FJTQCJIMDNWJNO-AWEZNQCLSA-N 0 1 378.822 3.859 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3c(C4CCC4)cnn3C)cc2F)C[C@@H](C)O1 ZINC000850034232 876619038 /nfs/dbraw/zinc/61/90/38/876619038.db2.gz IPRLVPPVUKGACH-HZPDHXFCSA-N 0 1 386.515 3.730 20 10 GHCDMN CC1(N2CCOCC2)CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000530103351 877103517 /nfs/dbraw/zinc/10/35/17/877103517.db2.gz DRBVHHMKYFXTPY-UHFFFAOYSA-N 0 1 380.488 3.978 20 10 GHCDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746654310 877209826 /nfs/dbraw/zinc/20/98/26/877209826.db2.gz YUPPUTMZWAFQGX-QHCPKHFHSA-N 0 1 395.547 3.729 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787288158 877297827 /nfs/dbraw/zinc/29/78/27/877297827.db2.gz IJOPTROCLPEVDD-ZDUSSCGKSA-N 0 1 381.245 3.732 20 10 GHCDMN CCC[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nn[nH]n1 ZINC000772708018 877671799 /nfs/dbraw/zinc/67/17/99/877671799.db2.gz LPFVXOLOEDPWQA-SFHVURJKSA-N 0 1 392.467 3.952 20 10 GHCDMN Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000179653654 877828380 /nfs/dbraw/zinc/82/83/80/877828380.db2.gz VKLGALQFTOUJKO-UHFFFAOYSA-N 0 1 377.828 3.641 20 10 GHCDMN Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000179653654 877828387 /nfs/dbraw/zinc/82/83/87/877828387.db2.gz VKLGALQFTOUJKO-UHFFFAOYSA-N 0 1 377.828 3.641 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1O ZINC000851708878 877873597 /nfs/dbraw/zinc/87/35/97/877873597.db2.gz NTDSDANMBLHNDR-MSOLQXFVSA-N 0 1 391.826 3.688 20 10 GHCDMN CN(C)[C@@H]1CCOc2c(NC(=S)NCCCN(C)c3ccccc3)cccc21 ZINC000788346232 878010494 /nfs/dbraw/zinc/01/04/94/878010494.db2.gz RZXOFNXVMBGMIL-HXUWFJFHSA-N 0 1 398.576 3.885 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3ccc(-c4cc[nH]n4)o3)cc2F)C[C@H](C)O1 ZINC000788508133 878114635 /nfs/dbraw/zinc/11/46/35/878114635.db2.gz TYPBKFKYSNUWNI-GASCZTMLSA-N 0 1 384.455 3.712 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746778160 878504906 /nfs/dbraw/zinc/50/49/06/878504906.db2.gz TZVUHUKGPXOSCZ-ACJLOTCBSA-N 0 1 391.899 3.717 20 10 GHCDMN C[C@@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000111235211 878959390 /nfs/dbraw/zinc/95/93/90/878959390.db2.gz SPLLORCAACFNMW-CYBMUJFWSA-N 0 1 382.382 3.600 20 10 GHCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000789565785 879075622 /nfs/dbraw/zinc/07/56/22/879075622.db2.gz JGRLMTKKYMHPOV-CQSZACIVSA-N 0 1 393.119 3.654 20 10 GHCDMN Cc1c(CN2CCSCC2)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180724052 879253744 /nfs/dbraw/zinc/25/37/44/879253744.db2.gz LTPGYMKHHUQVSA-SOFGYWHQSA-N 0 1 384.501 3.607 20 10 GHCDMN COc1cc2c(cc1F)nccc2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955557 879398539 /nfs/dbraw/zinc/39/85/39/879398539.db2.gz RRUCPTQRSUZIBI-UHFFFAOYSA-N 0 1 381.451 3.956 20 10 GHCDMN Cc1nc(NC(=O)c2c(F)ccc(O)c2O)sc1Cc1ccccc1F ZINC000790069099 879413637 /nfs/dbraw/zinc/41/36/37/879413637.db2.gz JDIKXCWWNVUNSY-UHFFFAOYSA-N 0 1 376.384 3.984 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000790418617 879700159 /nfs/dbraw/zinc/70/01/59/879700159.db2.gz YASIZBNMRPBVDP-UHFFFAOYSA-N 0 1 399.896 3.824 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162923 880951489 /nfs/dbraw/zinc/95/14/89/880951489.db2.gz RPMKNWHSTWKYJH-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000858595321 883223089 /nfs/dbraw/zinc/22/30/89/883223089.db2.gz NZTHGYIOZSZPRT-WMLDXEAASA-N 0 1 394.309 3.773 20 10 GHCDMN O=S(=O)(Cc1ccc(F)cc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805134984 883613976 /nfs/dbraw/zinc/61/39/76/883613976.db2.gz MMEJUGFEZMVJDL-UHFFFAOYSA-N 0 1 382.215 3.597 20 10 GHCDMN COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000805135286 883616741 /nfs/dbraw/zinc/61/67/41/883616741.db2.gz IDTCDLXXHNDEGS-UHFFFAOYSA-N 0 1 396.679 3.840 20 10 GHCDMN Cc1ccn2cc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)nc2c1 ZINC000805138377 883618371 /nfs/dbraw/zinc/61/83/71/883618371.db2.gz SMTMRGQVAWGTPQ-UHFFFAOYSA-N 0 1 379.247 3.655 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898088147 884591226 /nfs/dbraw/zinc/59/12/26/884591226.db2.gz BLCSQMJWYFKAFT-GFCCVEGCSA-N 0 1 386.677 3.968 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000761994639 885125743 /nfs/dbraw/zinc/12/57/43/885125743.db2.gz ABSMYFNCFACLGA-UHFFFAOYSA-N 0 1 375.368 3.999 20 10 GHCDMN CSc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513375 885497900 /nfs/dbraw/zinc/49/79/00/885497900.db2.gz MREWWTCQTJHURZ-UHFFFAOYSA-N 0 1 385.272 3.676 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000807512658 885498159 /nfs/dbraw/zinc/49/81/59/885498159.db2.gz CEERZNXAZBDZME-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513024 885498231 /nfs/dbraw/zinc/49/82/31/885498231.db2.gz PNRFWLIDKDOZCI-UHFFFAOYSA-N 0 1 397.258 3.741 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Cl)c1F ZINC000807513877 885498596 /nfs/dbraw/zinc/49/85/96/885498596.db2.gz XUTQWMAGVRORCT-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cc(Cl)cc(Cl)c1O ZINC000807834782 885799050 /nfs/dbraw/zinc/79/90/50/885799050.db2.gz QNBMLLYGTLCGCV-UHFFFAOYSA-N 0 1 392.242 3.597 20 10 GHCDMN CN(CCCC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000807838544 885803962 /nfs/dbraw/zinc/80/39/62/885803962.db2.gz WPEZPLZMJLWMBB-UHFFFAOYSA-N 0 1 391.295 3.962 20 10 GHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc(C)cc1 ZINC000807838705 885804016 /nfs/dbraw/zinc/80/40/16/885804016.db2.gz PFTZVVAXYUDKFO-UHFFFAOYSA-N 0 1 391.258 3.827 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000807839774 885804449 /nfs/dbraw/zinc/80/44/49/885804449.db2.gz LMBDMBYKFGJGFY-HNNXBMFYSA-N 0 1 383.206 3.648 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000808114984 886024130 /nfs/dbraw/zinc/02/41/30/886024130.db2.gz KAQMPWWTROFZKO-UHFFFAOYSA-N 0 1 385.722 3.884 20 10 GHCDMN CCC(=O)N1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809550758 887566849 /nfs/dbraw/zinc/56/68/49/887566849.db2.gz LLSGOVKHTAMYKC-UHFFFAOYSA-N 0 1 377.532 3.694 20 10 GHCDMN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000809749907 887786466 /nfs/dbraw/zinc/78/64/66/887786466.db2.gz MKZLQICVOMSQPE-CQSZACIVSA-N 0 1 381.270 3.551 20 10 GHCDMN CC[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1O ZINC000810213969 888290751 /nfs/dbraw/zinc/29/07/51/888290751.db2.gz KIKMBLHOGWINEZ-OAHLLOKOSA-N 0 1 377.370 3.628 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220316 888296137 /nfs/dbraw/zinc/29/61/37/888296137.db2.gz UZYNBXVNPPPFSF-INIZCTEOSA-N 0 1 382.382 3.516 20 10 GHCDMN CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810231634 888308347 /nfs/dbraw/zinc/30/83/47/888308347.db2.gz IQUYXYFZWZURPH-QGZVFWFLSA-N 0 1 380.410 3.811 20 10 GHCDMN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Br)cc(F)c2O)no1 ZINC000810255549 888358737 /nfs/dbraw/zinc/35/87/37/888358737.db2.gz MADRZTGSFMYFIN-IUCAKERBSA-N 0 1 388.237 3.625 20 10 GHCDMN COc1cccc2c1OCCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000866237261 888791608 /nfs/dbraw/zinc/79/16/08/888791608.db2.gz HEBDXSDFZWKCCZ-IBGZPJMESA-N 0 1 386.467 3.674 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000916605045 889175548 /nfs/dbraw/zinc/17/55/48/889175548.db2.gz MVAOCUNHBFWAFL-LJQANCHMSA-N 0 1 394.563 3.731 20 10 GHCDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000122386882 889718981 /nfs/dbraw/zinc/71/89/81/889718981.db2.gz FELFRPBNGAWQMD-UHFFFAOYSA-N 0 1 390.483 3.702 20 10 GHCDMN CC(C)Cc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001133123418 890256583 /nfs/dbraw/zinc/25/65/83/890256583.db2.gz KWTNZKMTRQBPSF-UHFFFAOYSA-N 0 1 393.575 3.886 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000917088136 891067927 /nfs/dbraw/zinc/06/79/27/891067927.db2.gz PTCCAJITKZUWHN-JZJXAQOMSA-N 0 1 387.568 3.537 20 10 GHCDMN CC(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275370661 913591233 /nfs/dbraw/zinc/59/12/33/913591233.db2.gz PXDUFKGKPOEJTF-GOSISDBHSA-N 0 1 377.960 3.780 20 10 GHCDMN CCOc1ccccc1C(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000917472263 892064548 /nfs/dbraw/zinc/06/45/48/892064548.db2.gz SLMMRLVCLIMCLA-UHFFFAOYSA-N 0 1 390.483 3.902 20 10 GHCDMN C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(Br)ccc1[O-] ZINC000813883280 892066354 /nfs/dbraw/zinc/06/63/54/892066354.db2.gz RZYBPLAAAQTSAR-LBPRGKRZSA-N 0 1 387.277 3.857 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@H](c2ccsc2)N(C)C)C2CC2)cc1 ZINC000918065701 893081930 /nfs/dbraw/zinc/08/19/30/893081930.db2.gz SQJQLASGOLWGTR-HXUWFJFHSA-N 0 1 386.565 3.791 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000918090351 893101453 /nfs/dbraw/zinc/10/14/53/893101453.db2.gz XTPBMNWBDQEKAS-OAQYLSRUSA-N 0 1 386.515 3.774 20 10 GHCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(C)cc3O)CC2)cs1 ZINC000876778059 893326981 /nfs/dbraw/zinc/32/69/81/893326981.db2.gz XVNSJIOOSFKUBK-MRXNPFEDSA-N 0 1 375.538 3.572 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000825922778 893385177 /nfs/dbraw/zinc/38/51/77/893385177.db2.gz XUNPAIAHJMRBPF-HNNXBMFYSA-N 0 1 381.270 3.551 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(Cc3cscn3)no2)C1 ZINC000563834939 894242848 /nfs/dbraw/zinc/24/28/48/894242848.db2.gz JZOSBHIDFXJPNO-UHFFFAOYSA-N 0 1 393.516 3.886 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)CCc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774877251 913859517 /nfs/dbraw/zinc/85/95/17/913859517.db2.gz XHFPAWLVDIRITI-UHFFFAOYSA-N 0 1 395.253 3.746 20 10 GHCDMN Cc1cccc(NC(=O)N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)c1 ZINC000816499135 894878262 /nfs/dbraw/zinc/87/82/62/894878262.db2.gz GQHPSDFRJWUOIV-UHFFFAOYSA-N 0 1 377.847 3.843 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515507 894894297 /nfs/dbraw/zinc/89/42/97/894894297.db2.gz BJCAVVCDTILCCF-NSHDSACASA-N 0 1 396.812 3.808 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816519243 894895348 /nfs/dbraw/zinc/89/53/48/894895348.db2.gz CPQRQSLKQTZOMA-UHFFFAOYSA-N 0 1 395.858 3.811 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000816548443 894916384 /nfs/dbraw/zinc/91/63/84/894916384.db2.gz HWQYIMFCPXVFDV-CYBMUJFWSA-N 0 1 395.881 3.926 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000816565508 894947298 /nfs/dbraw/zinc/94/72/98/894947298.db2.gz QWSDUAPYKZJEDM-MRXNPFEDSA-N 0 1 389.814 3.808 20 10 GHCDMN COC1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)O[C@@H](C)C3)cc2)CC1 ZINC000880067991 895491164 /nfs/dbraw/zinc/49/11/64/895491164.db2.gz YXSRCIPZTAQOFR-KXBFYZLASA-N 0 1 386.458 3.844 20 10 GHCDMN CC(C)c1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)ccc1O ZINC000882799011 896999686 /nfs/dbraw/zinc/99/96/86/896999686.db2.gz MDHYQBDGVDGSEQ-UHFFFAOYSA-N 0 1 396.896 3.672 20 10 GHCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000783602795 897343350 /nfs/dbraw/zinc/34/33/50/897343350.db2.gz MINMSRVQLYIZLM-GFCCVEGCSA-N 0 1 393.119 3.918 20 10 GHCDMN COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCCC2)cc1 ZINC000043139390 898239817 /nfs/dbraw/zinc/23/98/17/898239817.db2.gz OUEPLFXJWNKICN-NRFANRHFSA-N 0 1 397.519 3.769 20 10 GHCDMN Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000822438868 898368613 /nfs/dbraw/zinc/36/86/13/898368613.db2.gz XPVBYTJEOMPMSC-UHFFFAOYSA-N 0 1 390.411 3.822 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824646125 899735681 /nfs/dbraw/zinc/73/56/81/899735681.db2.gz YJAJVKKGUUDHFR-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824646125 899735690 /nfs/dbraw/zinc/73/56/90/899735690.db2.gz YJAJVKKGUUDHFR-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000824673711 899757500 /nfs/dbraw/zinc/75/75/00/899757500.db2.gz WLCASWISJZGLSP-LBPRGKRZSA-N 0 1 382.810 3.823 20 10 GHCDMN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)c(C)o1 ZINC000824702370 899770352 /nfs/dbraw/zinc/77/03/52/899770352.db2.gz OORNRSKIBPWJOQ-UHFFFAOYSA-N 0 1 376.884 3.958 20 10 GHCDMN O=C(CC1CCCC1)NC1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824776727 899800790 /nfs/dbraw/zinc/80/07/90/899800790.db2.gz JPTIJWKGQDJJBR-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824776727 899800797 /nfs/dbraw/zinc/80/07/97/899800797.db2.gz JPTIJWKGQDJJBR-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000824809303 899820404 /nfs/dbraw/zinc/82/04/04/899820404.db2.gz SVKDBVAOPDQBIL-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000824809303 899820411 /nfs/dbraw/zinc/82/04/11/899820411.db2.gz SVKDBVAOPDQBIL-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000825120785 899992583 /nfs/dbraw/zinc/99/25/83/899992583.db2.gz NDNVNVVXLDUVAI-UHFFFAOYSA-N 0 1 376.298 3.830 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000825143187 900003195 /nfs/dbraw/zinc/00/31/95/900003195.db2.gz FDWGXNMKRUQZDQ-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN CC[C@@H](NCc1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000825185698 900015881 /nfs/dbraw/zinc/01/58/81/900015881.db2.gz QORKSDPCUCKPJA-CQSZACIVSA-N 0 1 379.302 3.714 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4cc(C)ccc4n3)CC2)cc1 ZINC001137218564 900508944 /nfs/dbraw/zinc/50/89/44/900508944.db2.gz CXMXLXYEWYZQHF-UHFFFAOYSA-N 0 1 391.515 3.891 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1O ZINC000844410081 900839866 /nfs/dbraw/zinc/83/98/66/900839866.db2.gz NBQFIWVAQJHRNO-YVEFUNNKSA-N 0 1 387.455 3.695 20 10 GHCDMN Cc1cncnc1-c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000575787357 901299826 /nfs/dbraw/zinc/29/98/26/901299826.db2.gz WERKWSMJGMSZOR-UHFFFAOYSA-N 0 1 388.475 3.605 20 10 GHCDMN Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307705 901699510 /nfs/dbraw/zinc/69/95/10/901699510.db2.gz AJYGKNBUWYAQQZ-ZDUSSCGKSA-N 0 1 381.245 3.651 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc2cnccc2o1 ZINC000845926304 902535119 /nfs/dbraw/zinc/53/51/19/902535119.db2.gz YFJMTHVKCKQELZ-UHFFFAOYSA-N 0 1 391.393 3.973 20 10 GHCDMN Fc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)ccc1N1CCOCC1 ZINC000846015578 902596633 /nfs/dbraw/zinc/59/66/33/902596633.db2.gz OLDKPDVMFACMEA-UHFFFAOYSA-N 0 1 376.369 3.529 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846215087 902790831 /nfs/dbraw/zinc/79/08/31/902790831.db2.gz KCTPPTBUURSYSB-JKSUJKDBSA-N 0 1 391.309 3.972 20 10 GHCDMN C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846211169 902823512 /nfs/dbraw/zinc/82/35/12/902823512.db2.gz BLIRZYXRJAGVJH-INIZCTEOSA-N 0 1 380.467 3.675 20 10 GHCDMN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCc2nc[nH]n2)cc1 ZINC000847029379 903408393 /nfs/dbraw/zinc/40/83/93/903408393.db2.gz MGTXVEGHUUTBJP-UHFFFAOYSA-N 0 1 377.452 3.649 20 10 GHCDMN C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000773015734 904376077 /nfs/dbraw/zinc/37/60/77/904376077.db2.gz WNJMUMHFOHXJAR-YJYMSZOUSA-N 0 1 396.865 3.839 20 10 GHCDMN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000779488757 907322396 /nfs/dbraw/zinc/32/23/96/907322396.db2.gz JFZLVWMYMMINQK-IZTUGPKFSA-N 0 1 386.879 3.718 20 10 GHCDMN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000186151982 907884629 /nfs/dbraw/zinc/88/46/29/907884629.db2.gz ZEFDXGRMBORHLB-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920580 908015548 /nfs/dbraw/zinc/01/55/48/908015548.db2.gz ZGNWVSOALGFCRP-MRXNPFEDSA-N 0 1 375.310 3.766 20 10 GHCDMN COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1OCC(=O)NC1CC1 ZINC000187841757 908145587 /nfs/dbraw/zinc/14/55/87/908145587.db2.gz TYDTVNSPIMQXCW-NSHDSACASA-N 0 1 392.402 3.510 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc(-c4ccccn4)n[nH]3)cc2F)C[C@@H](C)O1 ZINC001177334347 908530831 /nfs/dbraw/zinc/53/08/31/908530831.db2.gz PBWPJLILWCCCEW-HZPDHXFCSA-N 0 1 395.482 3.514 20 10 GHCDMN Cc1noc(C)c1CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001178355826 909029848 /nfs/dbraw/zinc/02/98/48/909029848.db2.gz IJZULWZNXAYUJY-IBGZPJMESA-N 0 1 388.512 3.713 20 10 GHCDMN COC(=O)COc1ccccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC001179845348 909765876 /nfs/dbraw/zinc/76/58/76/909765876.db2.gz PZUQIUOFQDXZLZ-UHFFFAOYSA-N 0 1 382.504 3.861 20 10 GHCDMN COc1cccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CCC(O)CC2)c1 ZINC001179874471 909795924 /nfs/dbraw/zinc/79/59/24/909795924.db2.gz ZZFADTYFMRLMBJ-UHFFFAOYSA-N 0 1 377.431 3.985 20 10 GHCDMN COc1ccc(N2CCCN(Cc3ccc(F)c(F)c3N(C)C)CC2)cc1 ZINC001179970287 909839469 /nfs/dbraw/zinc/83/94/69/909839469.db2.gz VZJMLFMKJDIYJT-UHFFFAOYSA-N 0 1 375.463 3.752 20 10 GHCDMN COc1ccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c(O)c1OC ZINC001180353730 910092068 /nfs/dbraw/zinc/09/20/68/910092068.db2.gz NDTRHTDPXXSLBN-UHFFFAOYSA-N 0 1 390.455 3.788 20 10 GHCDMN Cc1cc(C(=O)COC(=O)C2CCN(C3CC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000801873018 921566988 /nfs/dbraw/zinc/56/69/88/921566988.db2.gz KINDCHDRCGNOOO-UHFFFAOYSA-N 0 1 398.478 3.834 20 10 GHCDMN CC(C)N1CC[NH+](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000271205624 910816892 /nfs/dbraw/zinc/81/68/92/910816892.db2.gz KCGOHDLTJKMGOT-UHFFFAOYSA-N 0 1 386.367 3.689 20 10 GHCDMN Cc1cc(Br)cc(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC001181588699 910848445 /nfs/dbraw/zinc/84/84/45/910848445.db2.gz IYNAKIIEWSFJDS-MRXNPFEDSA-N 0 1 399.329 3.952 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000774115296 911374143 /nfs/dbraw/zinc/37/41/43/911374143.db2.gz CNOBRBYJJYHOBP-JJEOQYAHSA-N 0 1 396.531 3.765 20 10 GHCDMN O=C(c1cc(Cl)ccc1NS(=O)(=O)CCCF)c1c(F)cccc1F ZINC001189908334 916984617 /nfs/dbraw/zinc/98/46/17/916984617.db2.gz GLDFGPLMFYHVFR-UHFFFAOYSA-N 0 1 391.798 3.951 20 10 GHCDMN COC1CCN(c2ccc(CN(C)Cc3cn(C)nc3C(F)(F)F)cc2)CC1 ZINC000294938486 917060603 /nfs/dbraw/zinc/06/06/03/917060603.db2.gz KYOICMSYWIEOBR-UHFFFAOYSA-N 0 1 396.457 3.686 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(-c2ccccc2)nc1O ZINC001190270783 917222544 /nfs/dbraw/zinc/22/25/44/917222544.db2.gz QAJXYOZNLPIYHC-UHFFFAOYSA-N 0 1 376.460 3.578 20 10 GHCDMN Cn1ccc2cccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)c21 ZINC001190975216 917677611 /nfs/dbraw/zinc/67/76/11/917677611.db2.gz HIVPAMCKICHRAI-UHFFFAOYSA-N 0 1 385.272 3.669 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)ccc1[O-] ZINC000775503949 918459038 /nfs/dbraw/zinc/45/90/38/918459038.db2.gz QUUYGQLRMPLZBX-AEFFLSMTSA-N 0 1 397.357 3.839 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1[O-] ZINC000775504052 918459906 /nfs/dbraw/zinc/45/99/06/918459906.db2.gz QUUYGQLRMPLZBX-WMZOPIPTSA-N 0 1 397.357 3.839 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000013776376 919328997 /nfs/dbraw/zinc/32/89/97/919328997.db2.gz IRCPPACQBUIBNT-UHFFFAOYSA-N 0 1 391.430 3.528 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c1[O-] ZINC000800506593 920214730 /nfs/dbraw/zinc/21/47/30/920214730.db2.gz WMTUHKAHONZZQQ-FQEVSTJZSA-N 0 1 396.874 3.941 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2Cl)C1 ZINC000800572603 920283598 /nfs/dbraw/zinc/28/35/98/920283598.db2.gz ZQYOOPNHTSKIMS-MGPUTAFESA-N 0 1 375.944 3.819 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000800992154 920675003 /nfs/dbraw/zinc/67/50/03/920675003.db2.gz GJTIDCOQLCIWTP-HKUYNNGSSA-N 0 1 390.483 3.876 20 10 GHCDMN CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000802781756 922398364 /nfs/dbraw/zinc/39/83/64/922398364.db2.gz GJVIKJGALXBURC-MRXNPFEDSA-N 0 1 375.900 3.892 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1[O-] ZINC001137438468 925789387 /nfs/dbraw/zinc/78/93/87/925789387.db2.gz LKJIDSWAVGRPCF-CQSZACIVSA-N 0 1 395.286 3.799 20 10 GHCDMN O=C(C[C@H]1CCCC1(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440574 925796495 /nfs/dbraw/zinc/79/64/95/925796495.db2.gz YLACNOZTZPCEAJ-ZBFHGGJFSA-N 0 1 386.870 3.952 20 10 GHCDMN CCCN1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2Cl)CC1 ZINC000827617067 925839339 /nfs/dbraw/zinc/83/93/39/925839339.db2.gz BHFOBSYKOSTJOQ-UHFFFAOYSA-N 0 1 386.927 3.635 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)s1 ZINC000827942072 926369336 /nfs/dbraw/zinc/36/93/36/926369336.db2.gz MLZISYIOJJUZKA-CQSZACIVSA-N 0 1 377.485 3.514 20 10 GHCDMN COc1ccc(N2CCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)cc1 ZINC000750038169 927400370 /nfs/dbraw/zinc/40/03/70/927400370.db2.gz GPSNGCKWGIQGMG-UHFFFAOYSA-N 0 1 388.895 3.969 20 10 GHCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)cc1 ZINC000750038169 927400378 /nfs/dbraw/zinc/40/03/78/927400378.db2.gz GPSNGCKWGIQGMG-UHFFFAOYSA-N 0 1 388.895 3.969 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781900376 931018714 /nfs/dbraw/zinc/01/87/14/931018714.db2.gz JCXLTZOYSURNHQ-HLLBOEOZSA-N 0 1 397.357 3.537 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000781907468 931022312 /nfs/dbraw/zinc/02/23/12/931022312.db2.gz CRITYXAKOACPSM-UHFFFAOYSA-N 0 1 392.219 3.847 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000781922471 931030137 /nfs/dbraw/zinc/03/01/37/931030137.db2.gz ZANSUWROFQANIR-SFHVURJKSA-N 0 1 380.257 3.696 20 10 GHCDMN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Br)ccc3[O-])CC2)n[nH]1 ZINC000784055898 931769119 /nfs/dbraw/zinc/76/91/19/931769119.db2.gz GXRQUZXXJKISJZ-LBPRGKRZSA-N 0 1 379.302 3.506 20 10 GHCDMN CN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000784461888 931903833 /nfs/dbraw/zinc/90/38/33/931903833.db2.gz FCPISZRHNIINHR-FQEVSTJZSA-N 0 1 391.475 3.736 20 10 GHCDMN COc1ccc(N2CCCN(C(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 ZINC000930309821 933975131 /nfs/dbraw/zinc/97/51/31/933975131.db2.gz NPWHRBDVFAHTFV-UHFFFAOYSA-N 0 1 397.519 3.627 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118749129 934231941 /nfs/dbraw/zinc/23/19/41/934231941.db2.gz NQUBYDFDOIZYDQ-YYQUZTFQSA-N 0 1 398.881 3.808 20 10 GHCDMN CCOCC[N@@H+](Cc1c([O-])cccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001137841672 935818769 /nfs/dbraw/zinc/81/87/69/935818769.db2.gz PENKMEFFPOBPFC-UHFFFAOYSA-N 0 1 396.503 3.769 20 10 GHCDMN Cn1cc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)c(C(F)(F)F)n1 ZINC001598533087 992810895 /nfs/dbraw/zinc/81/08/95/992810895.db2.gz CNFYYJUMYQNIMP-UHFFFAOYSA-N 0 1 393.365 3.628 20 10 GHCDMN COc1c(C)cnc(C[N@@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1C ZINC001599333785 997795004 /nfs/dbraw/zinc/79/50/04/997795004.db2.gz JJLBALOBFAZAHW-UHFFFAOYSA-N 0 1 385.439 3.668 20 10 GHCDMN COc1c(C)c[nH+]c(CN(C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1C ZINC001599333785 997795024 /nfs/dbraw/zinc/79/50/24/997795024.db2.gz JJLBALOBFAZAHW-UHFFFAOYSA-N 0 1 385.439 3.668 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3CC(C)(C)C)cc2F)CC1 ZINC001226823438 1032144602 /nfs/dbraw/zinc/14/46/02/1032144602.db2.gz BYXPOUDGPSKKPG-PKOBYXMFSA-N 0 1 390.547 3.592 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1O ZINC001204281999 1032723690 /nfs/dbraw/zinc/72/36/90/1032723690.db2.gz MDSKXKIXMPGFPF-SFHVURJKSA-N 0 1 384.476 3.549 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCOC(C)(C)C3)c1C2=O ZINC001227994577 1032729221 /nfs/dbraw/zinc/72/92/21/1032729221.db2.gz NLUXMNLUDTUDOJ-ZDUSSCGKSA-N 0 1 382.412 3.518 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 ZINC000778079313 1018188954 /nfs/dbraw/zinc/18/89/54/1018188954.db2.gz YEGKBLNAEXZLCT-UHFFFAOYSA-N 0 1 392.433 3.787 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001204340095 1032781564 /nfs/dbraw/zinc/78/15/64/1032781564.db2.gz BUZGDOWIPCWXRA-CQSZACIVSA-N 0 1 390.277 3.868 20 10 GHCDMN Cc1ccc([C@@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)cn1 ZINC001228520397 1032968309 /nfs/dbraw/zinc/96/83/09/1032968309.db2.gz ZUXZCOZMKAOQPO-GFCCVEGCSA-N 0 1 381.384 3.583 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2c([O-])cccc2Cl)cs1 ZINC001140340400 1021448554 /nfs/dbraw/zinc/44/85/54/1021448554.db2.gz WBLTZGOFRYLTJX-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2c([O-])cccc2Cl)cs1 ZINC001140340400 1021448565 /nfs/dbraw/zinc/44/85/65/1021448565.db2.gz WBLTZGOFRYLTJX-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001140345256 1021460105 /nfs/dbraw/zinc/46/01/05/1021460105.db2.gz QXFDXNAZYXEDIZ-UHFFFAOYSA-N 0 1 386.805 3.567 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001140345256 1021460113 /nfs/dbraw/zinc/46/01/13/1021460113.db2.gz QXFDXNAZYXEDIZ-UHFFFAOYSA-N 0 1 386.805 3.567 20 10 GHCDMN COCCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140468720 1021764913 /nfs/dbraw/zinc/76/49/13/1021764913.db2.gz VPIAVCQHMVABGI-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140468720 1021764934 /nfs/dbraw/zinc/76/49/34/1021764934.db2.gz VPIAVCQHMVABGI-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCc4occc4C3)cc2)CC1 ZINC001140479908 1021777811 /nfs/dbraw/zinc/77/78/11/1021777811.db2.gz YNHXSPAXJQKWCF-UHFFFAOYSA-N 0 1 397.519 3.895 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001140584924 1022009334 /nfs/dbraw/zinc/00/93/34/1022009334.db2.gz KEXZFSVYBZBDRV-UHFFFAOYSA-N 0 1 388.336 3.891 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853109 1022703525 /nfs/dbraw/zinc/70/35/25/1022703525.db2.gz MGEHWLHVNCZOKR-RBUKOAKNSA-N 0 1 389.540 3.822 20 10 GHCDMN COCCN(Cc1cc(Br)cs1)Cc1cc(OC)ccc1O ZINC000756135689 1023532155 /nfs/dbraw/zinc/53/21/55/1023532155.db2.gz DBJAWKSYNPIVOI-UHFFFAOYSA-N 0 1 386.311 3.873 20 10 GHCDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000756491666 1023683192 /nfs/dbraw/zinc/68/31/92/1023683192.db2.gz XGFBQCQUYSTUMS-SNVBAGLBSA-N 0 1 381.226 3.922 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1[O-] ZINC000756657622 1023759233 /nfs/dbraw/zinc/75/92/33/1023759233.db2.gz DPMYQBMIJQOJQA-DOMZBBRYSA-N 0 1 381.314 3.596 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756673937 1023769113 /nfs/dbraw/zinc/76/91/13/1023769113.db2.gz CVRLEHDVEYDIGZ-SUMWQHHRSA-N 0 1 389.293 3.606 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(C4CCC4)nc4[nH]ccc43)cc2)CC1 ZINC001156658487 1033161334 /nfs/dbraw/zinc/16/13/34/1033161334.db2.gz FBEWDYSWIVWIQU-UHFFFAOYSA-N 0 1 376.508 3.589 20 10 GHCDMN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756708832 1023784211 /nfs/dbraw/zinc/78/42/11/1023784211.db2.gz UOPFDERYFMMXSC-GFCCVEGCSA-N 0 1 385.302 3.815 20 10 GHCDMN CCOC(=O)c1cnn2cc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cnc12 ZINC001204914881 1033162763 /nfs/dbraw/zinc/16/27/63/1033162763.db2.gz GVHXBZWUKXNHFB-UHFFFAOYSA-N 0 1 394.475 3.556 20 10 GHCDMN CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)OCCO1 ZINC001204937157 1033175577 /nfs/dbraw/zinc/17/55/77/1033175577.db2.gz HIJIFSPOYDLVDB-LBPRGKRZSA-N 0 1 390.705 3.783 20 10 GHCDMN C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000837486284 1024495654 /nfs/dbraw/zinc/49/56/54/1024495654.db2.gz WVKYFQRIFCQRNS-SMDDNHRTSA-N 0 1 378.822 3.715 20 10 GHCDMN Oc1c(CN2CCN(c3ccc(F)cc3F)CC2)cc2c3c1CCCN3CCC2 ZINC001138339676 1024700915 /nfs/dbraw/zinc/70/09/15/1024700915.db2.gz IGWJLBYQDYAKAP-UHFFFAOYSA-N 0 1 399.485 3.691 20 10 GHCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC001141373051 1024761628 /nfs/dbraw/zinc/76/16/28/1024761628.db2.gz KVBREJAJYJFRMY-CABZTGNLSA-N 0 1 376.678 3.582 20 10 GHCDMN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141374947 1024767222 /nfs/dbraw/zinc/76/72/22/1024767222.db2.gz SOYUQCMBNWWVSH-KWBADKCTSA-N 0 1 388.689 3.582 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](N3Cc4ccccc4C3=O)C2)c(OC)c1 ZINC001138391931 1024769447 /nfs/dbraw/zinc/76/94/47/1024769447.db2.gz JOSHZCJWKSSCSE-NRFANRHFSA-N 0 1 393.531 3.772 20 10 GHCDMN Fc1cc(CNCc2cc3cc(Cl)cnc3o2)cc(F)c1N1CCOCC1 ZINC000839145127 1025640064 /nfs/dbraw/zinc/64/00/64/1025640064.db2.gz LXNBPDYMVPEVGS-UHFFFAOYSA-N 0 1 393.821 3.886 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839192829 1025713530 /nfs/dbraw/zinc/71/35/30/1025713530.db2.gz PQTTXVHIKRTVBR-UWVGGRQHSA-N 0 1 379.117 3.607 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839192829 1025713548 /nfs/dbraw/zinc/71/35/48/1025713548.db2.gz PQTTXVHIKRTVBR-UWVGGRQHSA-N 0 1 379.117 3.607 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)Cc1cncc(Br)c1 ZINC001139125142 1025937688 /nfs/dbraw/zinc/93/76/88/1025937688.db2.gz NMHUDMDNASSEFK-UHFFFAOYSA-N 0 1 389.249 3.597 20 10 GHCDMN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139128887 1025940327 /nfs/dbraw/zinc/94/03/27/1025940327.db2.gz HTUWFIGAOQMLOC-INIZCTEOSA-N 0 1 395.455 3.859 20 10 GHCDMN CCN(CC)c1ccc(CNCc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001461063166 1069371044 /nfs/dbraw/zinc/37/10/44/1069371044.db2.gz DLRVVMUOTXCYTN-UHFFFAOYSA-N 0 1 385.512 3.960 20 10 GHCDMN Cc1cc(CN2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)ccc1N(C)C ZINC001139673169 1026528793 /nfs/dbraw/zinc/52/87/93/1026528793.db2.gz AXLBFTLBPRWXAK-HXUWFJFHSA-N 0 1 386.561 3.844 20 10 GHCDMN C[C@H]1CCN(Cc2c(O)cccc2Br)CCN1C(=O)OC(C)(C)C ZINC001140098531 1026875139 /nfs/dbraw/zinc/87/51/39/1026875139.db2.gz DDRBMYYAJIRPAW-ZDUSSCGKSA-N 0 1 399.329 3.986 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2c(O)cccc2Br)C1 ZINC001140100471 1026879845 /nfs/dbraw/zinc/87/98/45/1026879845.db2.gz QKJYSPJCVHFQBO-IUODEOHRSA-N 0 1 397.313 3.596 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000840116675 1027224167 /nfs/dbraw/zinc/22/41/67/1027224167.db2.gz QCUIVIXDQXLQGD-DUXKGJEZSA-N 0 1 395.499 3.844 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000840116675 1027224176 /nfs/dbraw/zinc/22/41/76/1027224176.db2.gz QCUIVIXDQXLQGD-DUXKGJEZSA-N 0 1 395.499 3.844 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000840116684 1027225420 /nfs/dbraw/zinc/22/54/20/1027225420.db2.gz QCUIVIXDQXLQGD-WMQCIHAUSA-N 0 1 395.499 3.844 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000840116684 1027225450 /nfs/dbraw/zinc/22/54/50/1027225450.db2.gz QCUIVIXDQXLQGD-WMQCIHAUSA-N 0 1 395.499 3.844 20 10 GHCDMN 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/nfs/dbraw/zinc/84/32/44/882843244.db2.gz CBXDJBXKFZPRAQ-CYBMUJFWSA-N 0 1 391.309 3.973 20 10 GHCDMN CN(C)c1cc(F)c(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1F ZINC000858105806 882851877 /nfs/dbraw/zinc/85/18/77/882851877.db2.gz BYFURWKGYLSUHM-UHFFFAOYSA-N 0 1 389.490 3.529 20 10 GHCDMN COc1ccccc1N1CC[C@@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858118895 882859196 /nfs/dbraw/zinc/85/91/96/882859196.db2.gz JQZDVZMNRKVNSQ-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)C1 ZINC001199608766 875076003 /nfs/dbraw/zinc/07/60/03/875076003.db2.gz KVBWEMLAAIQUCA-OAHLLOKOSA-N 0 1 392.330 3.985 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C2CC2)cc1 ZINC000771791325 875462602 /nfs/dbraw/zinc/46/26/02/875462602.db2.gz NDPZDRCCJNCKGB-INIZCTEOSA-N 0 1 383.458 3.518 20 10 GHCDMN COc1ccc(N2CC[C@H](CNCc3c(F)cncc3Br)C2)cc1 ZINC000850331405 876816402 /nfs/dbraw/zinc/81/64/02/876816402.db2.gz YIGKVKSPLRCTIQ-CYBMUJFWSA-N 0 1 394.288 3.608 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000850489443 876966399 /nfs/dbraw/zinc/96/63/99/876966399.db2.gz UQAWBIBVXWKTJV-FUHWJXTLSA-N 0 1 377.492 3.514 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(OC)ccc1O ZINC000179567229 877728351 /nfs/dbraw/zinc/72/83/51/877728351.db2.gz BYJAPWHWHVTKPQ-UHFFFAOYSA-N 0 1 382.382 3.669 20 10 GHCDMN COC1CCN(c2ccc(CN(C)[C@H](c3nnc[nH]3)c3ccccc3)cc2)CC1 ZINC000852152474 878105460 /nfs/dbraw/zinc/10/54/60/878105460.db2.gz XYGJHIHNEZWOBN-QFIPXVFZSA-N 0 1 391.519 3.641 20 10 GHCDMN COC(=O)c1coc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)c1 ZINC001183137233 912325308 /nfs/dbraw/zinc/32/53/08/912325308.db2.gz QHEJARVULDLZOJ-UHFFFAOYSA-N 0 1 376.456 3.919 20 10 GHCDMN COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000285587295 912351736 /nfs/dbraw/zinc/35/17/36/912351736.db2.gz UHYUPLYAYJACQO-UHFFFAOYSA-N 0 1 390.288 3.864 20 10 GHCDMN COc1cc2c(cc1CN[C@@H](C)c1ccc(N3CCOCC3)cc1)O[C@@H](C)C2 ZINC000068478473 878607302 /nfs/dbraw/zinc/60/73/02/878607302.db2.gz RKHNVFISVJOGQR-IRXDYDNUSA-N 0 1 382.504 3.706 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCC[C@@H]1O ZINC001203563865 912403994 /nfs/dbraw/zinc/40/39/94/912403994.db2.gz AHRANBYZCWPQOR-ZANVPECISA-N 0 1 393.119 3.510 20 10 GHCDMN O=C(c1c(F)cccc1F)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000068878612 879142572 /nfs/dbraw/zinc/14/25/72/879142572.db2.gz MQARETSKNRSKPI-UHFFFAOYSA-N 0 1 382.410 3.782 20 10 GHCDMN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1c(F)ccc(O)c1O ZINC000790069941 879415022 /nfs/dbraw/zinc/41/50/22/879415022.db2.gz GRCWKZRTCCKXFC-UHFFFAOYSA-N 0 1 380.347 3.815 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1C ZINC000790409978 879686979 /nfs/dbraw/zinc/68/69/79/879686979.db2.gz XZRMIWRQFVCGAJ-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN COc1cccc([C@@H]2CC(=O)N(CN(Cc3ccc(N(C)C)cc3)C(C)C)C2)c1 ZINC000760534233 883448739 /nfs/dbraw/zinc/44/87/39/883448739.db2.gz WRCFVHICNYCNCR-OAQYLSRUSA-N 0 1 395.547 3.945 20 10 GHCDMN COc1ccccc1OCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805070739 883574656 /nfs/dbraw/zinc/57/46/56/883574656.db2.gz ZCEFWOGATOWPCC-UHFFFAOYSA-N 0 1 399.274 3.976 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000805241545 883685772 /nfs/dbraw/zinc/68/57/72/883685772.db2.gz APGYMTQWPBDHCF-MBNYWOFBSA-N 0 1 393.361 3.878 20 10 GHCDMN Cn1nc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000805302104 883713007 /nfs/dbraw/zinc/71/30/07/883713007.db2.gz FEPHEUOGRZDKOY-UHFFFAOYSA-N 0 1 393.274 3.628 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCc2ccccc2OC1 ZINC000805461152 883839280 /nfs/dbraw/zinc/83/92/80/883839280.db2.gz XLWHZOCPRMLFHQ-CQSZACIVSA-N 0 1 381.259 3.892 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2ccnc(F)c2)C1 ZINC000859659876 883975477 /nfs/dbraw/zinc/97/54/77/883975477.db2.gz UYCRRDMZHKNGIC-UHFFFAOYSA-N 0 1 381.451 3.685 20 10 GHCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236241 912779631 /nfs/dbraw/zinc/77/96/31/912779631.db2.gz MTSGGOOJQIBZRH-CWTRNNRKSA-N 0 1 399.318 3.634 20 10 GHCDMN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236241 912779645 /nfs/dbraw/zinc/77/96/45/912779645.db2.gz MTSGGOOJQIBZRH-CWTRNNRKSA-N 0 1 399.318 3.634 20 10 GHCDMN CCNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806165238 884420816 /nfs/dbraw/zinc/42/08/16/884420816.db2.gz IBZHUNYUEOHATQ-UHFFFAOYSA-N 0 1 382.247 3.770 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275248807 912831647 /nfs/dbraw/zinc/83/16/47/912831647.db2.gz RZDWWQDGRKPHBK-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCCN2Cc1cc(Cl)ccc1O ZINC001275248807 912831669 /nfs/dbraw/zinc/83/16/69/912831669.db2.gz RZDWWQDGRKPHBK-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275248807 912831689 /nfs/dbraw/zinc/83/16/89/912831689.db2.gz RZDWWQDGRKPHBK-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275248807 912831708 /nfs/dbraw/zinc/83/17/08/912831708.db2.gz RZDWWQDGRKPHBK-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN Cc1nc(CN2CC[C@@]3(CCCN3Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC001275254830 912843123 /nfs/dbraw/zinc/84/31/23/912843123.db2.gz WIOCMVUDKUJLIV-IBGZPJMESA-N 0 1 391.924 3.578 20 10 GHCDMN Cn1cnc(-c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)n1 ZINC000806402820 884684606 /nfs/dbraw/zinc/68/46/06/884684606.db2.gz LZXFNZHHAMWZJU-UHFFFAOYSA-N 0 1 392.246 3.816 20 10 GHCDMN CCC[C@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccn1 ZINC000806809283 885008624 /nfs/dbraw/zinc/00/86/24/885008624.db2.gz AIBIPCDTQWNFIE-IBGZPJMESA-N 0 1 398.526 3.563 20 10 GHCDMN COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)cc1C ZINC000807512638 885497993 /nfs/dbraw/zinc/49/79/93/885497993.db2.gz BFHHSYFOOBWCBJ-UHFFFAOYSA-N 0 1 397.258 3.579 20 10 GHCDMN COc1cccc(CO[C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838951 885769600 /nfs/dbraw/zinc/76/96/00/885769600.db2.gz UFZXBWZNLJYVMA-NSHDSACASA-N 0 1 384.259 3.929 20 10 GHCDMN COc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840164 885771371 /nfs/dbraw/zinc/77/13/71/885771371.db2.gz RXXAOWXQWHDDRM-UHFFFAOYSA-N 0 1 392.242 3.823 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCOC2=O)cc1 ZINC000807837690 885801085 /nfs/dbraw/zinc/80/10/85/885801085.db2.gz AHBVEBYVJRAUCZ-UHFFFAOYSA-N 0 1 381.215 3.586 20 10 GHCDMN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839310 885805767 /nfs/dbraw/zinc/80/57/67/885805767.db2.gz KWPWJVYRHFALTR-UHFFFAOYSA-N 0 1 378.206 3.766 20 10 GHCDMN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839315 885806074 /nfs/dbraw/zinc/80/60/74/885806074.db2.gz BXILNCNPTFZKHX-NEPJUHHUSA-N 0 1 387.307 3.600 20 10 GHCDMN COc1ccc(C(C)=O)cc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839171 885806423 /nfs/dbraw/zinc/80/64/23/885806423.db2.gz YDZYXUHQJWIWOI-UHFFFAOYSA-N 0 1 382.243 3.769 20 10 GHCDMN O=C(C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1)N1CCCC1 ZINC000054445262 885875345 /nfs/dbraw/zinc/87/53/45/885875345.db2.gz UYSGOKCMGCTJEA-UHFFFAOYSA-N 0 1 382.504 3.852 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(C)n1-c1ccccn1 ZINC000915189922 885960683 /nfs/dbraw/zinc/96/06/83/885960683.db2.gz DDGPQAAZENUEGQ-HXUWFJFHSA-N 0 1 380.467 3.661 20 10 GHCDMN CC1CCN(C(=O)C2CC[NH+](Cc3c([O-])cccc3Br)CC2)CC1 ZINC000862228980 886225592 /nfs/dbraw/zinc/22/55/92/886225592.db2.gz MLLOQNRKXKYGQM-UHFFFAOYSA-N 0 1 395.341 3.625 20 10 GHCDMN CCN(CC)CCOC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000915803338 887462292 /nfs/dbraw/zinc/46/22/92/887462292.db2.gz BHEDIVKXHCFEGN-UHFFFAOYSA-N 0 1 385.847 3.614 20 10 GHCDMN COc1cc(N2CCN(Cc3ccc4occc4c3)CC2)cc(OC)c1OC ZINC000809640264 887644382 /nfs/dbraw/zinc/64/43/82/887644382.db2.gz VASWWOPLOIWJIF-UHFFFAOYSA-N 0 1 382.460 3.781 20 10 GHCDMN O=C(C1CC1)N1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809647459 887653364 /nfs/dbraw/zinc/65/33/64/887653364.db2.gz CLNARQKIOUHMED-UHFFFAOYSA-N 0 1 389.543 3.694 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000809713419 887733696 /nfs/dbraw/zinc/73/36/96/887733696.db2.gz PSCCEJRLPBNACY-UHFFFAOYSA-N 0 1 390.256 3.828 20 10 GHCDMN CN1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])cc2)CC1 ZINC000809776058 887767672 /nfs/dbraw/zinc/76/76/72/887767672.db2.gz ROKHBFVPXVTBBW-UHFFFAOYSA-N 0 1 380.319 3.741 20 10 GHCDMN CN1CCN(c2ccc(C[NH2+]C[C@H](CC(=O)[O-])C3CCCCCC3)cc2)CC1 ZINC000864521018 887823526 /nfs/dbraw/zinc/82/35/26/887823526.db2.gz CFTVLAJJZHKHIC-NRFANRHFSA-N 0 1 387.568 3.589 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791106 887845752 /nfs/dbraw/zinc/84/57/52/887845752.db2.gz UFWVRYFODIQBKK-LJQANCHMSA-N 0 1 394.830 3.520 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791126 887846132 /nfs/dbraw/zinc/84/61/32/887846132.db2.gz UXXUDZOZHUZXSU-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000810059692 888107635 /nfs/dbraw/zinc/10/76/35/888107635.db2.gz XYUDPMRDEOPHOS-RBUKOAKNSA-N 0 1 376.859 3.922 20 10 GHCDMN CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571730 888288473 /nfs/dbraw/zinc/28/84/73/888288473.db2.gz ZVDLVNHXCHGWCR-QGZVFWFLSA-N 0 1 399.560 3.704 20 10 GHCDMN Fc1cc(CN(Cc2cccs2)C[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000120534984 888324950 /nfs/dbraw/zinc/32/49/50/888324950.db2.gz QVBZAPZQYSHPEL-GOSISDBHSA-N 0 1 390.524 3.905 20 10 GHCDMN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241655 888341451 /nfs/dbraw/zinc/34/14/51/888341451.db2.gz XDRAZHCBAPBEOG-CQSZACIVSA-N 0 1 379.444 3.809 20 10 GHCDMN COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000810255355 888359102 /nfs/dbraw/zinc/35/91/02/888359102.db2.gz JSAGLFOWWKHTCL-XCLFUZPHSA-N 0 1 379.884 3.707 20 10 GHCDMN OCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000865653618 888501336 /nfs/dbraw/zinc/50/13/36/888501336.db2.gz HYZCAMDGCQNOPN-IBGZPJMESA-N 0 1 396.865 3.668 20 10 GHCDMN CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1 ZINC000874052080 891970999 /nfs/dbraw/zinc/97/09/99/891970999.db2.gz ZONZSKDTRUMPBD-PMACEKPBSA-N 0 1 398.551 3.737 20 10 GHCDMN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822035 913648367 /nfs/dbraw/zinc/64/83/67/913648367.db2.gz XRCUFQGEQNLNOA-INIZCTEOSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822035 913648373 /nfs/dbraw/zinc/64/83/73/913648373.db2.gz XRCUFQGEQNLNOA-INIZCTEOSA-N 0 1 388.420 3.663 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000825768192 892460036 /nfs/dbraw/zinc/46/00/36/892460036.db2.gz CZIWIEODYBHGSO-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)c1[O-] ZINC000814654017 893008170 /nfs/dbraw/zinc/00/81/70/893008170.db2.gz ALUGSZHMXLMKBS-ZDUSSCGKSA-N 0 1 386.423 3.931 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825892925 893295731 /nfs/dbraw/zinc/29/57/31/893295731.db2.gz KUHMENPLKFHFEO-QGZVFWFLSA-N 0 1 378.266 3.612 20 10 GHCDMN COc1ccc(F)c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000815115628 893448960 /nfs/dbraw/zinc/44/89/60/893448960.db2.gz KODHUHINCUGOFS-GJZGRUSLSA-N 0 1 376.447 3.877 20 10 GHCDMN Cc1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)ccc1N(C)C ZINC000815121541 893453985 /nfs/dbraw/zinc/45/39/85/893453985.db2.gz VYAPTIDIZNZWGC-KRWDZBQOSA-N 0 1 381.289 3.786 20 10 GHCDMN CC1(C)N[C@@H](c2cccc(Br)c2O)N(CC2CCCCC2)C1=O ZINC000877857583 893860341 /nfs/dbraw/zinc/86/03/41/893860341.db2.gz VISUVPKRTBHHDN-MRXNPFEDSA-N 0 1 381.314 3.944 20 10 GHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000127198088 894376383 /nfs/dbraw/zinc/37/63/83/894376383.db2.gz ZPLOXJFIZFSUSB-ZDUSSCGKSA-N 0 1 387.281 3.928 20 10 GHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000127198088 894376397 /nfs/dbraw/zinc/37/63/97/894376397.db2.gz ZPLOXJFIZFSUSB-ZDUSSCGKSA-N 0 1 387.281 3.928 20 10 GHCDMN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc(F)c1O ZINC000935665532 894709773 /nfs/dbraw/zinc/70/97/73/894709773.db2.gz YNADCLAZNNEUNW-UHFFFAOYSA-N 0 1 388.439 3.534 20 10 GHCDMN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816540963 894910638 /nfs/dbraw/zinc/91/06/38/894910638.db2.gz YWUJVPAMICSRPA-UHFFFAOYSA-N 0 1 398.528 3.864 20 10 GHCDMN Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cccc1C(=O)N1CCCC1 ZINC000817406751 895584970 /nfs/dbraw/zinc/58/49/70/895584970.db2.gz XDOSBSKHWUBTLX-UHFFFAOYSA-N 0 1 392.547 3.595 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccnc2)C1 ZINC000566953351 896736126 /nfs/dbraw/zinc/73/61/26/896736126.db2.gz VHBLGMXGFQMQJB-KRWDZBQOSA-N 0 1 376.504 3.680 20 10 GHCDMN CCn1cc([C@@H](C)NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000567021051 896804805 /nfs/dbraw/zinc/80/48/05/896804805.db2.gz BALIRYHVRBNUGL-QGZVFWFLSA-N 0 1 393.535 3.502 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000819721017 896935896 /nfs/dbraw/zinc/93/58/96/896935896.db2.gz WDAMMZQHORYNFM-SFHVURJKSA-N 0 1 377.492 3.965 20 10 GHCDMN C[C@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000822182163 898246852 /nfs/dbraw/zinc/24/68/52/898246852.db2.gz GQHFUVGRMBVBFO-GJZGRUSLSA-N 0 1 396.491 3.898 20 10 GHCDMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000155214274 898438414 /nfs/dbraw/zinc/43/84/14/898438414.db2.gz NRNBZGMHACGCOL-UHFFFAOYSA-N 0 1 387.505 3.691 20 10 GHCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824583685 899723992 /nfs/dbraw/zinc/72/39/92/899723992.db2.gz OUIQZBXDHKKKDI-AWEZNQCLSA-N 0 1 393.119 3.776 20 10 GHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1C ZINC000824815707 899822792 /nfs/dbraw/zinc/82/27/92/899822792.db2.gz XDAJBUWHJYRDNZ-TVQRCGJNSA-N 0 1 393.119 3.774 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1Cl ZINC000825113858 899984389 /nfs/dbraw/zinc/98/43/89/899984389.db2.gz LOKROFOJPCJPAW-HUUCEWRRSA-N 0 1 375.900 3.652 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000825269681 900063866 /nfs/dbraw/zinc/06/38/66/900063866.db2.gz UZGRFEJEJPIFSO-GFCCVEGCSA-N 0 1 382.810 3.981 20 10 GHCDMN CC(C)C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)Nc1nccs1 ZINC000825379057 900133164 /nfs/dbraw/zinc/13/31/64/900133164.db2.gz LGOMVVGPUHPQKL-ZDUSSCGKSA-N 0 1 398.326 3.754 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(N2CCCC2)n1 ZINC000825479572 900212063 /nfs/dbraw/zinc/21/20/63/900212063.db2.gz PLAHSTSQHNKNQA-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN CCc1noc(C)c1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000572799933 900279038 /nfs/dbraw/zinc/27/90/38/900279038.db2.gz YCETXEDUSIQEKF-UHFFFAOYSA-N 0 1 380.492 3.905 20 10 GHCDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844207363 900601965 /nfs/dbraw/zinc/60/19/65/900601965.db2.gz BQDAAQDPGNHPOT-FMAYLGMYSA-N 0 1 395.459 3.793 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nc2ccccc2n1C ZINC000091306691 901445174 /nfs/dbraw/zinc/44/51/74/901445174.db2.gz AIOMIBIARQSVNH-QGZVFWFLSA-N 0 1 378.520 3.633 20 10 GHCDMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889126 901575947 /nfs/dbraw/zinc/57/59/47/901575947.db2.gz QIMVQQZCZGWPFA-NDHGSNPTSA-N 0 1 382.869 3.884 20 10 GHCDMN COc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(F)c1 ZINC000845924226 902533460 /nfs/dbraw/zinc/53/34/60/902533460.db2.gz IXHQCAWJVRFLNL-HUUCEWRRSA-N 0 1 376.447 3.877 20 10 GHCDMN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 ZINC001144867679 903050313 /nfs/dbraw/zinc/05/03/13/903050313.db2.gz BNIHFLQWCNQRHO-UHFFFAOYSA-N 0 1 378.476 3.602 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1I ZINC001248469383 904692642 /nfs/dbraw/zinc/69/26/42/904692642.db2.gz JDWNUDRAPHFGAJ-WDEREUQCSA-N 0 1 375.250 3.626 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1I ZINC001248469383 904692645 /nfs/dbraw/zinc/69/26/45/904692645.db2.gz JDWNUDRAPHFGAJ-WDEREUQCSA-N 0 1 375.250 3.626 20 10 GHCDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179939706 906639571 /nfs/dbraw/zinc/63/95/71/906639571.db2.gz ACNBIZFUEMTGQZ-NSHDSACASA-N 0 1 398.868 3.550 20 10 GHCDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179939706 906639579 /nfs/dbraw/zinc/63/95/79/906639579.db2.gz ACNBIZFUEMTGQZ-NSHDSACASA-N 0 1 398.868 3.550 20 10 GHCDMN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000779488759 907322842 /nfs/dbraw/zinc/32/28/42/907322842.db2.gz JFZLVWMYMMINQK-LNENJAERSA-N 0 1 386.879 3.718 20 10 GHCDMN CC[C@H](NCc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000185206133 907731567 /nfs/dbraw/zinc/73/15/67/907731567.db2.gz OGYLTMZWZNFDOX-AWEZNQCLSA-N 0 1 379.302 3.714 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185355850 907756371 /nfs/dbraw/zinc/75/63/71/907756371.db2.gz XEBFWZCJPZUFAD-CQSZACIVSA-N 0 1 396.940 3.724 20 10 GHCDMN CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)c1ccccc1 ZINC000777441590 908203717 /nfs/dbraw/zinc/20/37/17/908203717.db2.gz VNYFULSWPMSKEC-FQEVSTJZSA-N 0 1 395.547 3.565 20 10 GHCDMN COC(=O)c1c(CN(C)CCOCc2ccccc2)c2cc(F)ccc2n1C ZINC001180107949 909960004 /nfs/dbraw/zinc/96/00/04/909960004.db2.gz MAYCBHVNKCSTSE-UHFFFAOYSA-N 0 1 384.451 3.753 20 10 GHCDMN COc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000284385282 911847919 /nfs/dbraw/zinc/84/79/19/911847919.db2.gz OWWCWZBKIUFPIX-CYBMUJFWSA-N 0 1 379.863 3.570 20 10 GHCDMN COC(=O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C ZINC001182595628 911903230 /nfs/dbraw/zinc/90/32/30/911903230.db2.gz VVCNCRFSJFOANS-GDBMZVCRSA-N 0 1 395.341 3.680 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC001182684518 911966192 /nfs/dbraw/zinc/96/61/92/911966192.db2.gz MKVOBSGXXBNCBN-IRXDYDNUSA-N 0 1 396.915 3.598 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC001182796061 912027438 /nfs/dbraw/zinc/02/74/38/912027438.db2.gz PAYAZCMYCZIAJY-CYBMUJFWSA-N 0 1 398.812 3.964 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3ccccc3F)CC2)c1O ZINC000360341188 916070991 /nfs/dbraw/zinc/07/09/91/916070991.db2.gz CSHABTAXLITWQC-UHFFFAOYSA-N 0 1 392.858 3.588 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccccc3C(C)C)CC2)cc1 ZINC001190265321 917220153 /nfs/dbraw/zinc/22/01/53/917220153.db2.gz ONXVDPIPSKDHBF-UHFFFAOYSA-N 0 1 395.547 3.761 20 10 GHCDMN CC(C)[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nncn1C ZINC000796454784 917450593 /nfs/dbraw/zinc/45/05/93/917450593.db2.gz RNHJTEPUVMXHOA-JOCHJYFZSA-N 0 1 375.520 3.865 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1cc(Br)ccc1[O-] ZINC000775487586 918249552 /nfs/dbraw/zinc/24/95/52/918249552.db2.gz LDLLYSQKXABJTK-INIZCTEOSA-N 0 1 395.297 3.816 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Cl)ccc1[O-] ZINC000775488627 918264046 /nfs/dbraw/zinc/26/40/46/918264046.db2.gz PMUIEXJZMUKVHF-RDTXWAMCSA-N 0 1 375.900 3.907 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775514379 918549545 /nfs/dbraw/zinc/54/95/45/918549545.db2.gz UQOKTFQLGVNXGK-BZSNNMDCSA-N 0 1 397.357 3.839 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[O-] ZINC000796593742 918575787 /nfs/dbraw/zinc/57/57/87/918575787.db2.gz MEIZNYLCGOXYFU-GASCZTMLSA-N 0 1 394.899 3.547 20 10 GHCDMN COc1cc(CNCc2ccc(N(C)C)cc2C)c(Br)cc1O ZINC000115629551 919461403 /nfs/dbraw/zinc/46/14/03/919461403.db2.gz MXFAVTYKPFRBKK-UHFFFAOYSA-N 0 1 379.298 3.828 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000800993799 920674707 /nfs/dbraw/zinc/67/47/07/920674707.db2.gz NLFWUBIGQNSXHN-VQIMIIECSA-N 0 1 388.895 3.766 20 10 GHCDMN CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1nccs1 ZINC000901128597 920855879 /nfs/dbraw/zinc/85/58/79/920855879.db2.gz YTNUWFGWJJCGNW-HNNXBMFYSA-N 0 1 393.940 3.561 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000802187384 921890588 /nfs/dbraw/zinc/89/05/88/921890588.db2.gz INFYWLBQTVQTJX-UHFFFAOYSA-N 0 1 379.464 3.689 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000802187384 921890599 /nfs/dbraw/zinc/89/05/99/921890599.db2.gz INFYWLBQTVQTJX-UHFFFAOYSA-N 0 1 379.464 3.689 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@@H]2CO)c(=O)c1-c1ccccc1Cl ZINC000902631994 922359432 /nfs/dbraw/zinc/35/94/32/922359432.db2.gz ZKHJCFCKMSSZJP-CYBMUJFWSA-N 0 1 385.847 3.694 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@@H]2CO)c(=O)c1-c1ccccc1Cl ZINC000902631994 922359442 /nfs/dbraw/zinc/35/94/42/922359442.db2.gz ZKHJCFCKMSSZJP-CYBMUJFWSA-N 0 1 385.847 3.694 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001276079252 925270926 /nfs/dbraw/zinc/27/09/26/925270926.db2.gz YMJZQIDPQMANAY-LJQANCHMSA-N 0 1 393.325 3.545 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001276079252 925270935 /nfs/dbraw/zinc/27/09/35/925270935.db2.gz YMJZQIDPQMANAY-LJQANCHMSA-N 0 1 393.325 3.545 20 10 GHCDMN CCc1ccc(O)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC001137438264 925788907 /nfs/dbraw/zinc/78/89/07/925788907.db2.gz JTILQKGKJWIGGZ-KRWDZBQOSA-N 0 1 388.895 3.708 20 10 GHCDMN O=C(C[C@@H]1CCCC1(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440572 925796220 /nfs/dbraw/zinc/79/62/20/925796220.db2.gz YLACNOZTZPCEAJ-GOEBONIOSA-N 0 1 386.870 3.952 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)s1 ZINC000827950266 926375888 /nfs/dbraw/zinc/37/58/88/926375888.db2.gz RGNCIXORXDPLGP-GFCCVEGCSA-N 0 1 380.897 3.977 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)s1 ZINC000827950266 926375896 /nfs/dbraw/zinc/37/58/96/926375896.db2.gz RGNCIXORXDPLGP-GFCCVEGCSA-N 0 1 380.897 3.977 20 10 GHCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)cc1F ZINC000753859062 929566462 /nfs/dbraw/zinc/56/64/62/929566462.db2.gz ZIKHNMAEPUAKPH-UHFFFAOYSA-N 0 1 391.874 3.639 20 10 GHCDMN COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2Br)c1 ZINC000757637629 929754520 /nfs/dbraw/zinc/75/45/20/929754520.db2.gz IMZUIMOPIXQBDY-YVEFUNNKSA-N 0 1 380.282 3.938 20 10 GHCDMN C[N@@H+](Cc1ccccn1)Cc1cc(Br)cc(Br)c1[O-] ZINC000757890719 929841948 /nfs/dbraw/zinc/84/19/48/929841948.db2.gz TWSSJRFAYJTXJC-UHFFFAOYSA-N 0 1 386.087 3.944 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000758359364 930021237 /nfs/dbraw/zinc/02/12/37/930021237.db2.gz TUIXVCUEYUPCCN-UHFFFAOYSA-N 0 1 386.536 3.605 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000758527715 930071755 /nfs/dbraw/zinc/07/17/55/930071755.db2.gz LBSVGCKUWPLCJZ-ZDUSSCGKSA-N 0 1 384.701 3.749 20 10 GHCDMN Cc1ccc([C@@H](NCc2cc(Cl)cc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088350 932525142 /nfs/dbraw/zinc/52/51/42/932525142.db2.gz MFXANZRDNSAXOF-KSSFIOAISA-N 0 1 381.925 3.926 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001118860364 934270212 /nfs/dbraw/zinc/27/02/12/934270212.db2.gz RQVIWJKJXSVYTB-LBPRGKRZSA-N 0 1 398.322 3.799 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2c(O)cccc2Br)cc1 ZINC001118860364 934270221 /nfs/dbraw/zinc/27/02/21/934270221.db2.gz RQVIWJKJXSVYTB-LBPRGKRZSA-N 0 1 398.322 3.799 20 10 GHCDMN Cc1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)ccc1N(C)C ZINC001139670546 935548720 /nfs/dbraw/zinc/54/87/20/935548720.db2.gz BQVPYKWDUHBGBA-YFNKSVMNSA-N 0 1 395.547 3.652 20 10 GHCDMN COCCN(Cc1scnc1C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829314352 935794350 /nfs/dbraw/zinc/79/43/50/935794350.db2.gz YBODIGUPJPQFLO-UHFFFAOYSA-N 0 1 389.565 3.715 20 10 GHCDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001591712387 975606602 /nfs/dbraw/zinc/60/66/02/975606602.db2.gz RSCSZJGTJPXITR-JOCHJYFZSA-N 0 1 382.504 3.559 20 10 GHCDMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC001589216045 985713143 /nfs/dbraw/zinc/71/31/43/985713143.db2.gz QWGPRCBOQBVRNC-UHFFFAOYSA-N 0 1 390.439 3.760 20 10 GHCDMN Cn1c2ccc(F)cc2c(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598529246 992757787 /nfs/dbraw/zinc/75/77/87/992757787.db2.gz XRYUVGOHKBJQBS-SFHVURJKSA-N 0 1 395.478 3.722 20 10 GHCDMN CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598529246 992757790 /nfs/dbraw/zinc/75/77/90/992757790.db2.gz XRYUVGOHKBJQBS-SFHVURJKSA-N 0 1 395.478 3.722 20 10 GHCDMN CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598529246 992757794 /nfs/dbraw/zinc/75/77/94/992757794.db2.gz XRYUVGOHKBJQBS-SFHVURJKSA-N 0 1 395.478 3.722 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC001599583833 993586506 /nfs/dbraw/zinc/58/65/06/993586506.db2.gz DMGUHELRXUIREO-SFHVURJKSA-N 0 1 396.409 3.908 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2ccc(C)nc2)c1O ZINC001227495329 1032440723 /nfs/dbraw/zinc/44/07/23/1032440723.db2.gz PZVGCMDYFGMKOD-NSHDSACASA-N 0 1 379.434 3.651 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231854 1032517014 /nfs/dbraw/zinc/51/70/14/1032517014.db2.gz GKUKNKTXMJPSTE-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN COc1cc(Br)cc(CN(C)Cc2cccc3c2OCO3)c1O ZINC001204340374 1032780935 /nfs/dbraw/zinc/78/09/35/1032780935.db2.gz OHLVVAMTVPJFMW-UHFFFAOYSA-N 0 1 380.238 3.524 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000562885791 1018751745 /nfs/dbraw/zinc/75/17/45/1018751745.db2.gz GYCVWZBGOTUJES-FQEVSTJZSA-N 0 1 393.453 3.865 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2c(O)cccc2F)C1 ZINC001156170378 1032911329 /nfs/dbraw/zinc/91/13/29/1032911329.db2.gz MLTFTHLKFLWFGH-UHFFFAOYSA-N 0 1 395.478 3.569 20 10 GHCDMN COc1ccc(N2CCN(CCCN[C@H](F)c3ccnc(Cl)c3)CC2)cc1 ZINC001156261038 1032947785 /nfs/dbraw/zinc/94/77/85/1032947785.db2.gz QQFFHSWXQLVDHS-FQEVSTJZSA-N 0 1 392.906 3.514 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000834530141 1021249101 /nfs/dbraw/zinc/24/91/01/1021249101.db2.gz COMAKFZVDAGTMQ-SFHVURJKSA-N 0 1 376.504 3.775 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001140465106 1021758084 /nfs/dbraw/zinc/75/80/84/1021758084.db2.gz IERYEAJDPKKLIO-PZJWPPBQSA-N 0 1 395.927 3.612 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001140465106 1021758093 /nfs/dbraw/zinc/75/80/93/1021758093.db2.gz IERYEAJDPKKLIO-PZJWPPBQSA-N 0 1 395.927 3.612 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140582661 1022004036 /nfs/dbraw/zinc/00/40/36/1022004036.db2.gz MCGUEJXOEXEXGK-FQEVSTJZSA-N 0 1 382.451 3.893 20 10 GHCDMN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663614 1022204648 /nfs/dbraw/zinc/20/46/48/1022204648.db2.gz LQKVLXJGRMOODU-UHFFFAOYSA-N 0 1 396.506 3.785 20 10 GHCDMN COC(=O)c1cccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2F)c1 ZINC001140667136 1022218738 /nfs/dbraw/zinc/21/87/38/1022218738.db2.gz IOZRIHUPXASYEP-QFIPXVFZSA-N 0 1 398.478 3.786 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCCSC(C)(C)C)cc2F)CC1 ZINC000754020801 1022428855 /nfs/dbraw/zinc/42/88/55/1022428855.db2.gz AXQZLIOYFGACQP-UHFFFAOYSA-N 0 1 395.588 3.896 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140922625 1022891495 /nfs/dbraw/zinc/89/14/95/1022891495.db2.gz WXWXQLAYDVIHQR-CRAIPNDOSA-N 0 1 379.932 3.847 20 10 GHCDMN Cc1ccc(-c2noc(C[N@@H+](C)Cc3cc4c(C)cc(=O)oc4cc3[O-])n2)cc1 ZINC001204833842 1033113935 /nfs/dbraw/zinc/11/39/35/1033113935.db2.gz DHZGNUVCYFMGMV-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN Cc1ccc(-c2noc(C[N@H+](C)Cc3cc4c(C)cc(=O)oc4cc3[O-])n2)cc1 ZINC001204833842 1033113943 /nfs/dbraw/zinc/11/39/43/1033113943.db2.gz DHZGNUVCYFMGMV-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN Cc1ccc(-c2noc(CN(C)Cc3cc4c(C)cc(=O)oc4cc3O)n2)cc1 ZINC001204833842 1033113949 /nfs/dbraw/zinc/11/39/49/1033113949.db2.gz DHZGNUVCYFMGMV-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc(Br)ccc1[O-] ZINC000756393769 1023625945 /nfs/dbraw/zinc/62/59/45/1023625945.db2.gz QIXQDIGYQKCLFH-ZDUSSCGKSA-N 0 1 387.281 3.645 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756477500 1023676581 /nfs/dbraw/zinc/67/65/81/1023676581.db2.gz XUQFBGDPXPHYHW-LIRRHRJNSA-N 0 1 378.875 3.909 20 10 GHCDMN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000756504679 1023688625 /nfs/dbraw/zinc/68/86/25/1023688625.db2.gz PQGJNJGRPFMHPY-IEBWSBKVSA-N 0 1 382.504 3.742 20 10 GHCDMN Cc1cc(C(F)(F)NCc2ccc(N3CCN(C)CC3)cc2)cc(Cl)n1 ZINC001156652813 1033156295 /nfs/dbraw/zinc/15/62/95/1033156295.db2.gz ZBHJPZLNIQWGMF-UHFFFAOYSA-N 0 1 380.870 3.634 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 ZINC001156655725 1033159616 /nfs/dbraw/zinc/15/96/16/1033159616.db2.gz HJGQHUGISBENCW-UHFFFAOYSA-N 0 1 396.278 3.661 20 10 GHCDMN Cc1cc(Cl)ncc1C(F)(F)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156656092 1033159706 /nfs/dbraw/zinc/15/97/06/1033159706.db2.gz OOMSGTYMDOXQEL-UHFFFAOYSA-N 0 1 380.870 3.634 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(Br)cc1[O-] ZINC000756710865 1023784199 /nfs/dbraw/zinc/78/41/99/1023784199.db2.gz GDWDNFRZOJCLLH-ABAIWWIYSA-N 0 1 393.256 3.750 20 10 GHCDMN COc1ccccc1-c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC001156658648 1033161779 /nfs/dbraw/zinc/16/17/79/1033161779.db2.gz YCPSMSGELPQGDQ-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756734570 1023793323 /nfs/dbraw/zinc/79/33/23/1023793323.db2.gz XDGJXQVZTCNJBI-CQSZACIVSA-N 0 1 377.868 3.881 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc(-c4ccncc4)n3)cc2)CC1 ZINC001156660450 1033162840 /nfs/dbraw/zinc/16/28/40/1033162840.db2.gz XILIIFGKIOAPHA-UHFFFAOYSA-N 0 1 394.910 3.556 20 10 GHCDMN C[C@H](Nc1ccc(OCC(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000756801635 1023820421 /nfs/dbraw/zinc/82/04/21/1023820421.db2.gz BIGGYYKNGSTGBW-VIFPVBQESA-N 0 1 399.672 3.845 20 10 GHCDMN C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162914 1023988994 /nfs/dbraw/zinc/98/89/94/1023988994.db2.gz KJHYBLWOCBXQQB-AWEZNQCLSA-N 0 1 391.309 3.739 20 10 GHCDMN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc(F)c3[O-])O2)cs1 ZINC001138127352 1024173129 /nfs/dbraw/zinc/17/31/29/1024173129.db2.gz XTEFOURORSKZOY-BHIYHBOVSA-N 0 1 392.496 3.635 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126936 1024173376 /nfs/dbraw/zinc/17/33/76/1024173376.db2.gz NHXOSCIUBYNESK-QFIPXVFZSA-N 0 1 386.442 3.685 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000830845517 1024184216 /nfs/dbraw/zinc/18/42/16/1024184216.db2.gz MTEVCQLVFCZLAW-QGZVFWFLSA-N 0 1 385.357 3.966 20 10 GHCDMN CN1CCCc2cc(CN3CCC[C@@H](NC(=O)c4cccc(F)c4)C3)ccc21 ZINC001138359808 1024724143 /nfs/dbraw/zinc/72/41/43/1024724143.db2.gz ZHOILYDHGOJEMH-OAQYLSRUSA-N 0 1 381.495 3.603 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061254 1033231332 /nfs/dbraw/zinc/23/13/32/1033231332.db2.gz QEYAHTOMHLKQPL-CQSZACIVSA-N 0 1 399.329 3.904 20 10 GHCDMN CCN(CC)c1ccc(CN2CC(CCNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138388888 1024764152 /nfs/dbraw/zinc/76/41/52/1024764152.db2.gz ACHURBVTTOFKKW-UHFFFAOYSA-N 0 1 391.556 3.888 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC001141374611 1024767602 /nfs/dbraw/zinc/76/76/02/1024767602.db2.gz LCWOOTVTURTEQC-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](Oc3ncccc3OC)C2)c(OC)c1 ZINC001138391964 1024769851 /nfs/dbraw/zinc/76/98/51/1024769851.db2.gz LBBYXALCOXBIRK-IBGZPJMESA-N 0 1 385.508 3.598 20 10 GHCDMN CCOc1ccc(CN2CCN(c3ccc(OCCOC)cc3)CC2)c(C)c1 ZINC001138436621 1024845749 /nfs/dbraw/zinc/84/57/49/1024845749.db2.gz MDMOBXBDYGCWMZ-UHFFFAOYSA-N 0 1 384.520 3.741 20 10 GHCDMN CC1(C)Cc2cccc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)c2O1 ZINC000839146782 1025643550 /nfs/dbraw/zinc/64/35/50/1025643550.db2.gz VAWOSTRLMQWCOW-UHFFFAOYSA-N 0 1 388.458 3.805 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001139129430 1025941216 /nfs/dbraw/zinc/94/12/16/1025941216.db2.gz ZKRQRZRWNNKXJC-KRWDZBQOSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001139129430 1025941223 /nfs/dbraw/zinc/94/12/23/1025941223.db2.gz ZKRQRZRWNNKXJC-KRWDZBQOSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001139129430 1025941227 /nfs/dbraw/zinc/94/12/27/1025941227.db2.gz ZKRQRZRWNNKXJC-KRWDZBQOSA-N 0 1 378.472 3.513 20 10 GHCDMN CC[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139131556 1025943413 /nfs/dbraw/zinc/94/34/13/1025943413.db2.gz OUVKIKLOGGJWOX-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN CCN(Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139131556 1025943417 /nfs/dbraw/zinc/94/34/17/1025943417.db2.gz OUVKIKLOGGJWOX-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN CCN(Cc1c([O-])ccc2c(C)cc(=O)oc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139131556 1025943426 /nfs/dbraw/zinc/94/34/26/1025943426.db2.gz OUVKIKLOGGJWOX-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN Cc1n[nH]c([C@H]2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)n1 ZINC000839659574 1026178785 /nfs/dbraw/zinc/17/87/85/1026178785.db2.gz MIXGTLMLFJEARX-INIZCTEOSA-N 0 1 389.463 3.957 20 10 GHCDMN Cc1nnc([C@H]2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)[nH]1 ZINC000839659574 1026178794 /nfs/dbraw/zinc/17/87/94/1026178794.db2.gz MIXGTLMLFJEARX-INIZCTEOSA-N 0 1 389.463 3.957 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)[C@@H](C(C)(C)C)C3)ccc21 ZINC001163925163 1026362620 /nfs/dbraw/zinc/36/26/20/1026362620.db2.gz OSKVMTHVSMSCHA-OAQYLSRUSA-N 0 1 385.552 3.707 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)c1 ZINC001163929141 1026363937 /nfs/dbraw/zinc/36/39/37/1026363937.db2.gz HPMIWPVWLWQWMD-NRFANRHFSA-N 0 1 381.520 3.709 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4cccnc4cc3C)CC2)cc1 ZINC001164330104 1026486768 /nfs/dbraw/zinc/48/67/68/1026486768.db2.gz KMBOOPHSQJXOBR-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ccc(C)cn4)C3)C2)cc1 ZINC001139837144 1026656235 /nfs/dbraw/zinc/65/62/35/1026656235.db2.gz LCILONOKKAVBNO-QHCPKHFHSA-N 0 1 381.520 3.518 20 10 GHCDMN CCCc1noc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102979 1026883575 /nfs/dbraw/zinc/88/35/75/1026883575.db2.gz CCUBFPQZEWMJOI-GFCCVEGCSA-N 0 1 380.286 3.870 20 10 GHCDMN CCCc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102979 1026883587 /nfs/dbraw/zinc/88/35/87/1026883587.db2.gz CCUBFPQZEWMJOI-GFCCVEGCSA-N 0 1 380.286 3.870 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(Cl)c1 ZINC001461202308 1069440101 /nfs/dbraw/zinc/44/01/01/1069440101.db2.gz MINKJUBVARQOQI-UHFFFAOYSA-N 0 1 397.700 3.636 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001203574993 1027443649 /nfs/dbraw/zinc/44/36/49/1027443649.db2.gz AJNVQKHRFCTYSL-HUUCEWRRSA-N 0 1 378.303 3.658 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(OC)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203623971 1027486270 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386.805 3.567 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc(OC)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203673470 1027524076 /nfs/dbraw/zinc/52/40/76/1027524076.db2.gz ZVHIYLXRTJEOQV-FQEVSTJZSA-N 0 1 399.535 3.923 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000840763293 1027806895 /nfs/dbraw/zinc/80/68/95/1027806895.db2.gz WADUYMFNWFFHOJ-CYBMUJFWSA-N 0 1 377.391 3.560 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(S(=O)(=O)C(F)(F)F)c2)c(Cl)c1 ZINC001204110496 1027882386 /nfs/dbraw/zinc/88/23/86/1027882386.db2.gz BBWNDJQGXNLFNY-UHFFFAOYSA-N 0 1 393.814 3.937 20 10 GHCDMN Cc1cc(O)c(CNCc2cccc(S(=O)(=O)C(F)(F)F)c2)c(Cl)c1 ZINC001204110496 1027882399 /nfs/dbraw/zinc/88/23/99/1027882399.db2.gz BBWNDJQGXNLFNY-UHFFFAOYSA-N 0 1 393.814 3.937 20 10 GHCDMN Cc1cc(Br)c([O-])c(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000841104476 1028143121 /nfs/dbraw/zinc/14/31/21/1028143121.db2.gz RXGPQHDDEJJESJ-DOTOQJQBSA-N 0 1 379.273 3.529 20 10 GHCDMN 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CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452492 1039337599 /nfs/dbraw/zinc/33/75/99/1039337599.db2.gz YMVDGQQBJLCPRK-ZFWWWQNUSA-N 0 1 386.414 3.852 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452492 1039337624 /nfs/dbraw/zinc/33/76/24/1039337624.db2.gz YMVDGQQBJLCPRK-ZFWWWQNUSA-N 0 1 386.414 3.852 20 10 GHCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1)c1ccc(F)cc1 ZINC001233455641 1039345765 /nfs/dbraw/zinc/34/57/65/1039345765.db2.gz SLYPHFATLGUGBK-QGZVFWFLSA-N 0 1 396.384 3.945 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1)c1ccc(F)cc1 ZINC001233455641 1039345781 /nfs/dbraw/zinc/34/57/81/1039345781.db2.gz SLYPHFATLGUGBK-QGZVFWFLSA-N 0 1 396.384 3.945 20 10 GHCDMN CCCC[C@H](CC)COC[C@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC001253024363 1039358411 /nfs/dbraw/zinc/35/84/11/1039358411.db2.gz DVYXWQFIGQPDIG-WMLDXEAASA-N 0 1 388.346 3.838 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767606 1039600328 /nfs/dbraw/zinc/60/03/28/1039600328.db2.gz FSHWJEZIJJGRNV-ZDUSSCGKSA-N 0 1 375.387 3.987 20 10 GHCDMN C[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)COc2ccccc2O1 ZINC001253584734 1039709282 /nfs/dbraw/zinc/70/92/82/1039709282.db2.gz TXXLFMOJJCVKIB-SFHVURJKSA-N 0 1 397.258 3.728 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)c2c1 ZINC001234535628 1040107859 /nfs/dbraw/zinc/10/78/59/1040107859.db2.gz CDQQNLNMRLFFRT-MDNUFGMLSA-N 0 1 383.488 3.712 20 10 GHCDMN CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234998368 1040492634 /nfs/dbraw/zinc/49/26/34/1040492634.db2.gz FPZXDQIHQZXSAD-HXUWFJFHSA-N 0 1 382.504 3.519 20 10 GHCDMN COC(=O)c1cccc2c1CN(Cc1cc(Br)cc(F)c1O)C2 ZINC001235068565 1040560399 /nfs/dbraw/zinc/56/03/99/1040560399.db2.gz LEQXMESZMRYTLI-UHFFFAOYSA-N 0 1 380.213 3.596 20 10 GHCDMN Cc1ccc2c(c1NS(=O)(=O)c1cccc(F)c1)C(=O)c1ccccc1C2=O ZINC001255642810 1041185743 /nfs/dbraw/zinc/18/57/43/1041185743.db2.gz RJQAGIGNJMYQDA-UHFFFAOYSA-N 0 1 395.411 3.710 20 10 GHCDMN CNC(=O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001462523708 1070325891 /nfs/dbraw/zinc/32/58/91/1070325891.db2.gz RERRMZKEQQUFSD-UHFFFAOYSA-N 0 1 397.700 3.556 20 10 GHCDMN CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001462523708 1070325908 /nfs/dbraw/zinc/32/59/08/1070325908.db2.gz RERRMZKEQQUFSD-UHFFFAOYSA-N 0 1 397.700 3.556 20 10 GHCDMN [O-]c1ccc(F)c(F)c1CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC001235799282 1041303530 /nfs/dbraw/zinc/30/35/30/1041303530.db2.gz MGPZXALEOGQSAA-OAHLLOKOSA-N 0 1 383.236 3.579 20 10 GHCDMN COc1cc([O-])c(CN(Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236396625 1041700343 /nfs/dbraw/zinc/70/03/43/1041700343.db2.gz PGIBJIXXEWMMPB-MRXNPFEDSA-N 0 1 378.875 3.948 20 10 GHCDMN COc1cccc(C(=O)C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC001236750333 1041871859 /nfs/dbraw/zinc/87/18/59/1041871859.db2.gz REJAXRHKKNVVGA-UHFFFAOYSA-N 0 1 385.460 3.513 20 10 GHCDMN Oc1cc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c(O)cc1Br ZINC001236776478 1041885592 /nfs/dbraw/zinc/88/55/92/1041885592.db2.gz XGTWMCITQARROE-AWEZNQCLSA-N 0 1 382.229 3.653 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236792261 1041898579 /nfs/dbraw/zinc/89/85/79/1041898579.db2.gz CXWBJYCIJDSCGM-BETUJISGSA-N 0 1 387.307 3.998 20 10 GHCDMN O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236794314 1041899260 /nfs/dbraw/zinc/89/92/60/1041899260.db2.gz VPHDNLZSTUNDFB-UHFFFAOYSA-N 0 1 393.314 3.872 20 10 GHCDMN O=C(C[C@H]1[C@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]12)NCc1ccco1 ZINC001236794231 1041899494 /nfs/dbraw/zinc/89/94/94/1041899494.db2.gz UQKBDDGLDQIBRH-QDMKHBRRSA-N 0 1 395.286 3.676 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c(Cl)c1 ZINC001236799705 1041902249 /nfs/dbraw/zinc/90/22/49/1041902249.db2.gz OWJQGKSDPHTJGM-IIBYNOLFSA-N 0 1 395.927 3.709 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c(Cl)c1 ZINC001236799705 1041902254 /nfs/dbraw/zinc/90/22/54/1041902254.db2.gz OWJQGKSDPHTJGM-IIBYNOLFSA-N 0 1 395.927 3.709 20 10 GHCDMN COc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c([O-])c1Cl ZINC001236801640 1041904045 /nfs/dbraw/zinc/90/40/45/1041904045.db2.gz LENICHIAAIEECR-UONOGXRCSA-N 0 1 382.888 3.638 20 10 GHCDMN COc1ccc(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c([O-])c1Cl ZINC001236801289 1041904241 /nfs/dbraw/zinc/90/42/41/1041904241.db2.gz FMRXDSUIBUDOOZ-UHFFFAOYSA-N 0 1 382.888 3.543 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC(n3c(=O)oc4ccccc43)CC2)c(Cl)c1 ZINC001236804766 1041906527 /nfs/dbraw/zinc/90/65/27/1041906527.db2.gz YFSIFLUUYRGILH-UHFFFAOYSA-N 0 1 388.851 3.799 20 10 GHCDMN CC[N@@H+](Cc1ccc(OC)c(Cl)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236807884 1041908976 /nfs/dbraw/zinc/90/89/76/1041908976.db2.gz VHMZRJBYEMZBAS-CQSZACIVSA-N 0 1 384.904 3.886 20 10 GHCDMN Oc1cc2ccccc2cc1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001236833914 1041921972 /nfs/dbraw/zinc/92/19/72/1041921972.db2.gz ZFDIYIXRHVYIKC-ILWGZMRPSA-N 0 1 394.446 3.890 20 10 GHCDMN CC(C)c1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001237047773 1042006573 /nfs/dbraw/zinc/00/65/73/1042006573.db2.gz DSWUDFIRXYFIGZ-RBDMOPTHSA-N 0 1 382.504 3.969 20 10 GHCDMN Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064276 1042017594 /nfs/dbraw/zinc/01/75/94/1042017594.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 0 1 382.382 3.690 20 10 GHCDMN Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064276 1042017600 /nfs/dbraw/zinc/01/76/00/1042017600.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 0 1 382.382 3.690 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CN(Cc2c(O)cccc2Br)CC1(C)C ZINC001462581677 1070387386 /nfs/dbraw/zinc/38/73/86/1070387386.db2.gz CMLLNJIGUJRCGY-HNNXBMFYSA-N 0 1 399.329 3.890 20 10 GHCDMN COc1cccc(OC2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)n1 ZINC001237144579 1042062650 /nfs/dbraw/zinc/06/26/50/1042062650.db2.gz RUAFILNSMIRKCC-UHFFFAOYSA-N 0 1 382.382 3.858 20 10 GHCDMN Cc1cccc([C@H]2CCCN2Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC001237202841 1042089915 /nfs/dbraw/zinc/08/99/15/1042089915.db2.gz LHEQTUPWGGYRRG-JOCHJYFZSA-N 0 1 384.545 3.567 20 10 GHCDMN Cc1cccc([C@@H]2CCCN2Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC001237202843 1042090188 /nfs/dbraw/zinc/09/01/88/1042090188.db2.gz LHEQTUPWGGYRRG-QFIPXVFZSA-N 0 1 384.545 3.567 20 10 GHCDMN COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(Cl)c(Cl)cc2[O-])c1 ZINC001237452821 1042213458 /nfs/dbraw/zinc/21/34/58/1042213458.db2.gz ALGLTHGHSXJEOH-KRWDZBQOSA-N 0 1 395.286 3.632 20 10 GHCDMN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc(Cl)cc(F)c4[O-])C[C@@H]3C2=O)c1 ZINC001237618976 1042284793 /nfs/dbraw/zinc/28/47/93/1042284793.db2.gz LKZSCXGZUBBNRG-WMZOPIPTSA-N 0 1 388.870 3.584 20 10 GHCDMN Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(F)c4[O-])CC[N@H+]3C2)cc1 ZINC001237621167 1042288751 /nfs/dbraw/zinc/28/87/51/1042288751.db2.gz WBIMLJUOJYUSFS-MJGOQNOKSA-N 0 1 390.886 3.831 20 10 GHCDMN Cc1cc(O)c(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1Br ZINC001237682426 1042322907 /nfs/dbraw/zinc/32/29/07/1042322907.db2.gz RWPZODJMDLECDU-DOMZBBRYSA-N 0 1 399.329 3.808 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001237780693 1042365523 /nfs/dbraw/zinc/36/55/23/1042365523.db2.gz VRNIYAUAAASGQQ-SNVBAGLBSA-N 0 1 385.167 3.771 20 10 GHCDMN C[N@@H+](CCc1cccc(F)c1)Cc1cccc(I)c1[O-] ZINC001237789807 1042371276 /nfs/dbraw/zinc/37/12/76/1042371276.db2.gz VKBIHRZQQDXFEM-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN [O-]c1c(C[N@H+]2CCC[C@@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792736 1042372910 /nfs/dbraw/zinc/37/29/10/1042372910.db2.gz UYDYJQKJPGZMOI-AWEZNQCLSA-N 0 1 380.204 3.928 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1Cc1cc(F)cc(Cl)c1O ZINC001237803090 1042379284 /nfs/dbraw/zinc/37/92/84/1042379284.db2.gz QHUCPAJWGIJWJC-LBPRGKRZSA-N 0 1 394.821 3.919 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001237811911 1042381350 /nfs/dbraw/zinc/38/13/50/1042381350.db2.gz CXFZKKCKXAKUIW-QFBILLFUSA-N 0 1 382.907 3.508 20 10 GHCDMN [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)C1 ZINC001237813349 1042381848 /nfs/dbraw/zinc/38/18/48/1042381848.db2.gz NNQKCSULAIFJMJ-UHFFFAOYSA-N 0 1 385.533 3.682 20 10 GHCDMN Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2[O-])CC3)n1 ZINC001237813582 1042382322 /nfs/dbraw/zinc/38/23/22/1042382322.db2.gz LVKYDWYJDYESFE-UHFFFAOYSA-N 0 1 392.906 3.549 20 10 GHCDMN Cn1ccc(C[N@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2[O-])CC3)n1 ZINC001237813582 1042382324 /nfs/dbraw/zinc/38/23/24/1042382324.db2.gz LVKYDWYJDYESFE-UHFFFAOYSA-N 0 1 392.906 3.549 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]12 ZINC001237941517 1042431028 /nfs/dbraw/zinc/43/10/28/1042431028.db2.gz YAZIISFNTBQJKS-AXAPSJFSSA-N 0 1 384.879 3.920 20 10 GHCDMN Cc1cc(F)cc(CN2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)c1O ZINC001238061661 1042479553 /nfs/dbraw/zinc/47/95/53/1042479553.db2.gz 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ZINC001260329653 1045463637 /nfs/dbraw/zinc/46/36/37/1045463637.db2.gz OYOCSNXIKAJVSM-UHFFFAOYSA-N 0 1 392.221 3.851 20 10 GHCDMN CCC(CC)Oc1cccc(F)c1NS(=O)(=O)c1cccc2nonc21 ZINC001260442332 1045496774 /nfs/dbraw/zinc/49/67/74/1045496774.db2.gz XQODVLJYBDSUMM-UHFFFAOYSA-N 0 1 379.413 3.730 20 10 GHCDMN OC[C@@H](NCc1c(O)cccc1Br)c1ccc(C(F)(F)F)cc1 ZINC001261788317 1046093082 /nfs/dbraw/zinc/09/30/82/1046093082.db2.gz RVOGLALNPQAFGI-CQSZACIVSA-N 0 1 390.199 3.997 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NCc1c(O)cccc1O)c1cccc(C(F)(F)F)c1 ZINC001304053549 1047573821 /nfs/dbraw/zinc/57/38/21/1047573821.db2.gz NLUFUNCGHAGHTC-GOSISDBHSA-N 0 1 396.409 3.816 20 10 GHCDMN C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001304768007 1047763776 /nfs/dbraw/zinc/76/37/76/1047763776.db2.gz JNNFAKZBMHMXFZ-KKSFZXQISA-N 0 1 399.510 3.520 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)cc1Cl ZINC001279432800 1047803948 /nfs/dbraw/zinc/80/39/48/1047803948.db2.gz JVWIOGRTZSQIGE-ROUUACIJSA-N 0 1 390.936 3.833 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)cc1Cl ZINC001279432800 1047803957 /nfs/dbraw/zinc/80/39/57/1047803957.db2.gz JVWIOGRTZSQIGE-ROUUACIJSA-N 0 1 390.936 3.833 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)cc1Cl ZINC001279433112 1047804798 /nfs/dbraw/zinc/80/47/98/1047804798.db2.gz MSOMRRDXQHFGME-HXUWFJFHSA-N 0 1 379.932 3.760 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)cc1Cl ZINC001279433112 1047804804 /nfs/dbraw/zinc/80/48/04/1047804804.db2.gz MSOMRRDXQHFGME-HXUWFJFHSA-N 0 1 379.932 3.760 20 10 GHCDMN CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001279521897 1047831908 /nfs/dbraw/zinc/83/19/08/1047831908.db2.gz QKKBMQAFSXVRLW-AWEZNQCLSA-N 0 1 380.916 3.868 20 10 GHCDMN CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001279521897 1047831922 /nfs/dbraw/zinc/83/19/22/1047831922.db2.gz QKKBMQAFSXVRLW-AWEZNQCLSA-N 0 1 380.916 3.868 20 10 GHCDMN COc1ccc(CN2CC[C@H]3C[N@@H+](CCCC(F)(F)F)C[C@H]32)c([O-])c1Cl ZINC001279665373 1047905078 /nfs/dbraw/zinc/90/50/78/1047905078.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 0 1 392.849 3.903 20 10 GHCDMN COc1ccc(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c([O-])c1Cl ZINC001279665373 1047905082 /nfs/dbraw/zinc/90/50/82/1047905082.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 0 1 392.849 3.903 20 10 GHCDMN COc1ccc(C[N@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c([O-])c1Cl ZINC001279665373 1047905088 /nfs/dbraw/zinc/90/50/88/1047905088.db2.gz JYXSFYPYWNJTFG-GXTWGEPZSA-N 0 1 392.849 3.903 20 10 GHCDMN COc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2scnc2C)c([O-])c1Cl ZINC001279665658 1047905714 /nfs/dbraw/zinc/90/57/14/1047905714.db2.gz QUCDMWKSKBZQGG-GJZGRUSLSA-N 0 1 393.940 3.668 20 10 GHCDMN CC(C)NC(=O)N[C@@]12CC[C@@]([NH2+]Cc3c([O-])ccc(F)c3Cl)(C1)CCC2 ZINC001279684246 1047913912 /nfs/dbraw/zinc/91/39/12/1047913912.db2.gz NVZVBUICOXVQNB-MOPGFXCFSA-N 0 1 383.895 3.827 20 10 GHCDMN Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001279697718 1047920746 /nfs/dbraw/zinc/92/07/46/1047920746.db2.gz SSJNUJRYKYJNDC-UHFFFAOYSA-N 0 1 379.476 3.533 20 10 GHCDMN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2)N1CCCCO1 ZINC001279983860 1048026117 /nfs/dbraw/zinc/02/61/17/1048026117.db2.gz UFEYRLBUKYYZDH-YLJYHZDGSA-N 0 1 378.900 3.592 20 10 GHCDMN O=C([C@H]1CCC[C@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2)N1CCCCO1 ZINC001279983860 1048026129 /nfs/dbraw/zinc/02/61/29/1048026129.db2.gz UFEYRLBUKYYZDH-YLJYHZDGSA-N 0 1 378.900 3.592 20 10 GHCDMN CN1CCN(c2ccc(CNc3cnn(-c4ccccc4Cl)c3)cc2)CC1 ZINC001308334261 1049951481 /nfs/dbraw/zinc/95/14/81/1049951481.db2.gz WQLCLHVKGWXLBX-UHFFFAOYSA-N 0 1 381.911 3.890 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC001308685412 1050058911 /nfs/dbraw/zinc/05/89/11/1050058911.db2.gz JCWJEDVDSJJANF-CYBMUJFWSA-N 0 1 384.701 3.749 20 10 GHCDMN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1CO ZINC001308873797 1050133287 /nfs/dbraw/zinc/13/32/87/1050133287.db2.gz OLFMUGWCPATERF-DOTOQJQBSA-N 0 1 381.358 3.890 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001308960157 1050218960 /nfs/dbraw/zinc/21/89/60/1050218960.db2.gz DEGNQUFGSPAWJY-GOSISDBHSA-N 0 1 398.247 3.917 20 10 GHCDMN CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313211180 1052986157 /nfs/dbraw/zinc/98/61/57/1052986157.db2.gz BLQAESRJETVBOF-UHFFFAOYSA-N 0 1 398.526 3.699 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC001322129655 1056532070 /nfs/dbraw/zinc/53/20/70/1056532070.db2.gz KVWGVJXQCXNHTR-AWEZNQCLSA-N 0 1 382.420 3.565 20 10 GHCDMN COc1cc(Br)cc([C@H](C)N[C@H](CO)c2ccccc2OC)c1O ZINC000848534809 1057156491 /nfs/dbraw/zinc/15/64/91/1057156491.db2.gz VJOPUHJFQYUETD-XHDPSFHLSA-N 0 1 396.281 3.556 20 10 GHCDMN O=C1Nc2ccccc2CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000848560600 1057180063 /nfs/dbraw/zinc/18/00/63/1057180063.db2.gz HGXOGOUGQZDXKO-LJQANCHMSA-N 0 1 394.475 3.628 20 10 GHCDMN CCc1nocc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000848747841 1057277644 /nfs/dbraw/zinc/27/76/44/1057277644.db2.gz YOZCNACSZQFFLM-UHFFFAOYSA-N 0 1 381.476 3.702 20 10 GHCDMN Cc1nn(CCO)c(C)c1CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001325183395 1057285413 /nfs/dbraw/zinc/28/54/13/1057285413.db2.gz AXADSZHMGQWASX-OAHLLOKOSA-N 0 1 390.959 3.672 20 10 GHCDMN CCC[C@@]1(CO)CCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001448740433 1060259139 /nfs/dbraw/zinc/25/91/39/1060259139.db2.gz YIOSVPVQPCUXJO-DEOSSOPVSA-N 0 1 397.563 3.561 20 10 GHCDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001449468247 1060410031 /nfs/dbraw/zinc/41/00/31/1060410031.db2.gz HQJKSRRENHWGSL-OAQYLSRUSA-N 0 1 381.520 3.771 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c(O)c3)cc2F)C[C@@H](C)O1 ZINC001464307061 1064950007 /nfs/dbraw/zinc/95/00/07/1064950007.db2.gz AHCQLOVNLDABMF-CHWSQXEVSA-N 0 1 392.858 3.728 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)cc(Cl)c3)cc2F)CC1 ZINC001352959302 1065517007 /nfs/dbraw/zinc/51/70/07/1065517007.db2.gz DDXYCUSYDWOFEN-UHFFFAOYSA-N 0 1 389.902 3.859 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)cc2F)CC1 ZINC001352970105 1065527819 /nfs/dbraw/zinc/52/78/19/1065527819.db2.gz RLFOGMYZJSDUES-GBXCKJPGSA-N 0 1 395.522 3.562 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)NCc3csc4ccccc34)cc2)CC1 ZINC001467656362 1067403242 /nfs/dbraw/zinc/40/32/42/1067403242.db2.gz JWQCAWABAQQCGR-UHFFFAOYSA-N 0 1 394.544 3.653 20 10 GHCDMN COC(=O)Nc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC001468666983 1067813964 /nfs/dbraw/zinc/81/39/64/1067813964.db2.gz DBBUFCJPULEDDP-UHFFFAOYSA-N 0 1 387.194 3.946 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C(C)=C/c3ccc(F)cc3)cc2F)CC1 ZINC001360091547 1068353219 /nfs/dbraw/zinc/35/32/19/1068353219.db2.gz WPQVFZRESBJGPO-SAPNQHFASA-N 0 1 399.485 3.826 20 10 GHCDMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471191493 1072959814 /nfs/dbraw/zinc/95/98/14/1072959814.db2.gz OJWUYGCACFGXTN-WMZHIEFXSA-N 0 1 392.547 3.526 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3nn[nH]n3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001471336208 1073025345 /nfs/dbraw/zinc/02/53/45/1073025345.db2.gz PZUWPVJTSRLMOR-UHFFFAOYSA-N 0 1 392.507 3.750 20 10 GHCDMN CC[C@H](C)NC(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001473934305 1074210056 /nfs/dbraw/zinc/21/00/56/1074210056.db2.gz YRKJZDROGFMVJJ-ZDUSSCGKSA-N 0 1 391.309 3.973 20 10 GHCDMN O=C1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CN1Cc1ccccc1C(F)(F)F ZINC001474102200 1074264782 /nfs/dbraw/zinc/26/47/82/1074264782.db2.gz FAHGGHKYZHXSKT-ZDUSSCGKSA-N 0 1 398.812 3.955 20 10 GHCDMN O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001474378765 1074374128 /nfs/dbraw/zinc/37/41/28/1074374128.db2.gz HYRISCBSBMRCLF-UHFFFAOYSA-N 0 1 377.847 3.971 20 10 GHCDMN C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737397260 600409823 /nfs/dbraw/zinc/40/98/23/600409823.db2.gz RIVDYJIVLQHXAB-UHFFFAOYSA-N 0 1 398.846 3.968 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736814150 600709783 /nfs/dbraw/zinc/70/97/83/600709783.db2.gz ILJWMLPKMWGEGM-KAMXEHQASA-N 0 1 395.459 3.793 20 10 GHCDMN CC(C)c1ncc2c(n1)C[N@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)CC2 ZINC000827158544 600717378 /nfs/dbraw/zinc/71/73/78/600717378.db2.gz KZKXHFDUAYBMSE-UHFFFAOYSA-N 0 1 377.444 3.715 20 10 GHCDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000833419577 605549229 /nfs/dbraw/zinc/54/92/29/605549229.db2.gz GRWCUSIPENJMEQ-QGZVFWFLSA-N 0 1 389.496 3.908 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(CCO)cc2)C1 ZINC000683492124 837406579 /nfs/dbraw/zinc/40/65/79/837406579.db2.gz BOFBXLHUDWSAEE-UHFFFAOYSA-N 0 1 391.515 3.581 20 10 GHCDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)n1 ZINC000163399778 834907232 /nfs/dbraw/zinc/90/72/32/834907232.db2.gz WOXHOGXBSIMVQZ-CYBMUJFWSA-N 0 1 394.441 3.800 20 10 GHCDMN CCOc1cccc2cc([C@H](C)NCC(=O)NCc3ccc(N(C)C)cc3)oc21 ZINC000180361742 837192393 /nfs/dbraw/zinc/19/23/93/837192393.db2.gz WYDPNWBUWINARQ-INIZCTEOSA-N 0 1 395.503 3.865 20 10 GHCDMN CC(C)c1cc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)on1 ZINC000683445127 837325550 /nfs/dbraw/zinc/32/55/50/837325550.db2.gz CJNGEIVQCARLDH-UHFFFAOYSA-N 0 1 394.519 3.836 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000471497091 838543066 /nfs/dbraw/zinc/54/30/66/838543066.db2.gz UPDFBXVWXVKJCZ-NRFANRHFSA-N 0 1 382.483 3.728 20 10 GHCDMN Cc1cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)ccc1N1CCCCC1 ZINC001167353729 838871343 /nfs/dbraw/zinc/87/13/43/838871343.db2.gz NIBDYTFDSVQNIU-JOCHJYFZSA-N 0 1 381.520 3.859 20 10 GHCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000398115210 839852667 /nfs/dbraw/zinc/85/26/67/839852667.db2.gz FHXBZCCTUWZYMS-KBXCAEBGSA-N 0 1 375.310 3.907 20 10 GHCDMN CN1CCN(c2ccc(CNc3c(F)cccc3Br)cc2)CC1 ZINC001167431259 840044849 /nfs/dbraw/zinc/04/48/49/840044849.db2.gz OKFHMHRQZADAOK-UHFFFAOYSA-N 0 1 378.289 3.952 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc(C4CCCC4)n3)cc2)CC1 ZINC001167431304 840048594 /nfs/dbraw/zinc/04/85/94/840048594.db2.gz RKUAVWILQUDKPB-UHFFFAOYSA-N 0 1 386.931 3.547 20 10 GHCDMN COc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2ccc(C)nc12 ZINC001167434702 840187303 /nfs/dbraw/zinc/18/73/03/840187303.db2.gz SVRLDZVVTDEDJN-UHFFFAOYSA-N 0 1 376.504 3.916 20 10 GHCDMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n[nH]1 ZINC000255376747 842462780 /nfs/dbraw/zinc/46/27/80/842462780.db2.gz NLVDZROSYVJLFP-CQSZACIVSA-N 0 1 390.447 3.819 20 10 GHCDMN O=C(c1ccc(F)cc1F)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000171067646 861382636 /nfs/dbraw/zinc/38/26/36/861382636.db2.gz SNSKCPUIDTYBLI-UHFFFAOYSA-N 0 1 382.410 3.782 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3cncs3)no2)C1 ZINC000582088758 846275548 /nfs/dbraw/zinc/27/55/48/846275548.db2.gz XRIHRTFTENQORF-UHFFFAOYSA-N 0 1 379.489 3.963 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000119875358 846438874 /nfs/dbraw/zinc/43/88/74/846438874.db2.gz LPARRWUKFHFANX-UHFFFAOYSA-N 0 1 393.421 3.967 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Br)ccc1[O-] ZINC000273306083 847301158 /nfs/dbraw/zinc/30/11/58/847301158.db2.gz CWBIPKIVJQLABL-LBPRGKRZSA-N 0 1 377.282 3.707 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000273391955 847325459 /nfs/dbraw/zinc/32/54/59/847325459.db2.gz KZQMRWCFEUUILE-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2cccs2)C1 ZINC000435661645 850731581 /nfs/dbraw/zinc/73/15/81/850731581.db2.gz GVFQASXIHTUPRP-UHFFFAOYSA-N 0 1 381.545 3.828 20 10 GHCDMN COC1CCC(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000435814519 850874084 /nfs/dbraw/zinc/87/40/84/850874084.db2.gz WLGMHAFLDCJOFD-UHFFFAOYSA-N 0 1 397.563 3.729 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000150800096 852405347 /nfs/dbraw/zinc/40/53/47/852405347.db2.gz LEQGEJSINJSINX-UKRRQHHQSA-N 0 1 394.487 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000150800096 852405357 /nfs/dbraw/zinc/40/53/57/852405357.db2.gz LEQGEJSINJSINX-UKRRQHHQSA-N 0 1 394.487 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000150800096 852405362 /nfs/dbraw/zinc/40/53/62/852405362.db2.gz LEQGEJSINJSINX-UKRRQHHQSA-N 0 1 394.487 3.859 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)cc1 ZINC000729512921 855746474 /nfs/dbraw/zinc/74/64/74/855746474.db2.gz WTHDOQBNKVUKHJ-UHFFFAOYSA-N 0 1 378.476 3.762 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H](c3nc(C)n[nH]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000760965095 856816479 /nfs/dbraw/zinc/81/64/79/856816479.db2.gz LTWYTEYUDVCRBM-QGZVFWFLSA-N 0 1 395.482 3.722 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000760965095 856816492 /nfs/dbraw/zinc/81/64/92/856816492.db2.gz LTWYTEYUDVCRBM-QGZVFWFLSA-N 0 1 395.482 3.722 20 10 GHCDMN Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n[nH]1 ZINC000733286200 862842714 /nfs/dbraw/zinc/84/27/14/862842714.db2.gz SNMDRYXBWSFLNH-UHFFFAOYSA-N 0 1 387.281 3.818 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CNc3ccnc4cc(F)ccc43)cc2)C1 ZINC000733300396 862844862 /nfs/dbraw/zinc/84/48/62/862844862.db2.gz QJTVDALSEDOIQY-INIZCTEOSA-N 0 1 378.451 3.688 20 10 GHCDMN CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765765150 856998375 /nfs/dbraw/zinc/99/83/75/856998375.db2.gz OJAHPXLGQDOMHI-UHFFFAOYSA-N 0 1 391.309 3.927 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nccnc2C2CC2)C1 ZINC000906420683 857090133 /nfs/dbraw/zinc/09/01/33/857090133.db2.gz VRXLVNDUAJAYJU-UHFFFAOYSA-N 0 1 389.503 3.714 20 10 GHCDMN CC(C)(C)[C@@H]1CCC2=S=C(C(=O)Nc3nc(-c4ccncc4)n[nH]3)C=C2C1 ZINC000521078483 857588587 /nfs/dbraw/zinc/58/85/87/857588587.db2.gz HTSQCVHMNSKLCI-CQSZACIVSA-N 0 1 381.505 3.669 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000761225377 859625389 /nfs/dbraw/zinc/62/53/89/859625389.db2.gz GCQYFCKIZGTKHT-GOSISDBHSA-N 0 1 376.294 3.928 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000761225377 859625393 /nfs/dbraw/zinc/62/53/93/859625393.db2.gz GCQYFCKIZGTKHT-GOSISDBHSA-N 0 1 376.294 3.928 20 10 GHCDMN C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765225344 859853750 /nfs/dbraw/zinc/85/37/50/859853750.db2.gz CSCDVRPZLYOVFF-UHFFFAOYSA-N 0 1 378.270 3.538 20 10 GHCDMN CCc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000730133489 860873232 /nfs/dbraw/zinc/87/32/32/860873232.db2.gz VUBPOUNGOQZMJG-UHFFFAOYSA-N 0 1 384.499 3.852 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccccc3)cc2F)CC1 ZINC000730111875 860876641 /nfs/dbraw/zinc/87/66/41/860876641.db2.gz PLGCHALCMXHEPK-QGZVFWFLSA-N 0 1 384.499 3.528 20 10 GHCDMN Cc1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000730228731 860954400 /nfs/dbraw/zinc/95/44/00/860954400.db2.gz WUDUFFIPLLZSQR-SFHVURJKSA-N 0 1 396.579 3.583 20 10 GHCDMN CCOc1cccc(N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)n1 ZINC000730257217 860978684 /nfs/dbraw/zinc/97/86/84/860978684.db2.gz JADAUDLTQFIZQC-UHFFFAOYSA-N 0 1 385.508 3.511 20 10 GHCDMN CC(C)CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792776541 881688513 /nfs/dbraw/zinc/68/85/13/881688513.db2.gz HFRUGTKCIJXVDE-UHFFFAOYSA-N 0 1 385.474 3.756 20 10 GHCDMN CNC(=O)C1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCC1 ZINC000733999142 863935592 /nfs/dbraw/zinc/93/55/92/863935592.db2.gz CRIGVDSZZSTIBX-UHFFFAOYSA-N 0 1 379.464 3.689 20 10 GHCDMN COCC(=O)Nc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792897640 881781059 /nfs/dbraw/zinc/78/10/59/881781059.db2.gz IVKMUYODIIRFMW-UHFFFAOYSA-N 0 1 395.425 3.646 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000173459413 864740130 /nfs/dbraw/zinc/74/01/30/864740130.db2.gz YHQRUEVTRPDUHV-HXOBKFHXSA-N 0 1 394.515 3.620 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4o3)cc2F)CC1 ZINC000735438730 864800685 /nfs/dbraw/zinc/80/06/85/864800685.db2.gz IMFMCWXNWHPAPT-UHFFFAOYSA-N 0 1 399.441 3.783 20 10 GHCDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NCc1ccccc1 ZINC000792931492 881820992 /nfs/dbraw/zinc/82/09/92/881820992.db2.gz VFAIQIFERULGPC-CQSZACIVSA-N 0 1 379.426 3.566 20 10 GHCDMN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738220984 865503387 /nfs/dbraw/zinc/50/33/87/865503387.db2.gz OKQHRZAKASSWDV-QFIPXVFZSA-N 0 1 381.520 3.944 20 10 GHCDMN COc1cc(CCC[NH2+]Cc2ccc(Br)cc2[O-])cc(OC)c1O ZINC000857069456 881981508 /nfs/dbraw/zinc/98/15/08/881981508.db2.gz JAVWJDPBPLBPAV-UHFFFAOYSA-N 0 1 396.281 3.600 20 10 GHCDMN COC(=O)c1cc2cc(CN3CCN(c4ccc(OC)cc4)CC3)ccc2o1 ZINC000741773067 866778466 /nfs/dbraw/zinc/77/84/66/866778466.db2.gz JOZJNJKXSFRFSD-UHFFFAOYSA-N 0 1 380.444 3.550 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@H](NCc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000742384779 867250754 /nfs/dbraw/zinc/25/07/54/867250754.db2.gz NDWXXGQHUWDHEG-INIZCTEOSA-N 0 1 399.445 3.627 20 10 GHCDMN C[C@@H]1CC[N@H+](Cc2ccc(I)cc2[O-])CCC1(F)F ZINC001232973994 867396693 /nfs/dbraw/zinc/39/66/93/867396693.db2.gz FFGWTUWSOFZQOK-SNVBAGLBSA-N 0 1 381.204 3.864 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(I)cc2[O-])CCC1(F)F ZINC001232973994 867396709 /nfs/dbraw/zinc/39/67/09/867396709.db2.gz FFGWTUWSOFZQOK-SNVBAGLBSA-N 0 1 381.204 3.864 20 10 GHCDMN C[C@@H]1CCN(Cc2ccc(I)cc2O)CCC1(F)F ZINC001232973994 867396727 /nfs/dbraw/zinc/39/67/27/867396727.db2.gz FFGWTUWSOFZQOK-SNVBAGLBSA-N 0 1 381.204 3.864 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C)CC2)c(C)n1-c1ccccc1Br ZINC000920406798 882082549 /nfs/dbraw/zinc/08/25/49/882082549.db2.gz VSEZKORXUZBYJW-UHFFFAOYSA-N 0 1 390.325 3.634 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000743870920 868468262 /nfs/dbraw/zinc/46/82/62/868468262.db2.gz HLXPLOQBEPXUDS-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000743870920 868468266 /nfs/dbraw/zinc/46/82/66/868468266.db2.gz HLXPLOQBEPXUDS-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000744193426 868655213 /nfs/dbraw/zinc/65/52/13/868655213.db2.gz PMQZTKPNXHHCGN-UHFFFAOYSA-N 0 1 389.499 3.991 20 10 GHCDMN COCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000793565425 882275959 /nfs/dbraw/zinc/27/59/59/882275959.db2.gz PMYWGSNGODTDGU-OAHLLOKOSA-N 0 1 396.503 3.846 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cc(Br)ccc1[O-] ZINC000775552324 870733151 /nfs/dbraw/zinc/73/31/51/870733151.db2.gz UKJWVVKIWLOFGR-QGZVFWFLSA-N 0 1 389.293 3.682 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000920957605 882473172 /nfs/dbraw/zinc/47/31/72/882473172.db2.gz XUTCUHGHPUOLKK-WUZDHUPESA-N 0 1 393.443 3.528 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000775645312 872256679 /nfs/dbraw/zinc/25/66/79/872256679.db2.gz JLPULFKPMJPEKU-CYBMUJFWSA-N 0 1 378.879 3.882 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000775648388 872308406 /nfs/dbraw/zinc/30/84/06/872308406.db2.gz STXPGVLDRZYWEO-UHFFFAOYSA-N 0 1 378.860 3.512 20 10 GHCDMN CC[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)ccc1O ZINC000857875716 882605526 /nfs/dbraw/zinc/60/55/26/882605526.db2.gz ZBZDGOFJYQKCHJ-AEFFLSMTSA-N 0 1 389.293 3.909 20 10 GHCDMN Cc1c(Br)n[nH]c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001195599165 872497998 /nfs/dbraw/zinc/49/79/98/872497998.db2.gz HKEJNZQEGIMMLD-UHFFFAOYSA-N 0 1 385.265 3.910 20 10 GHCDMN O=C(Cc1ccccc1Cl)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775664217 872509341 /nfs/dbraw/zinc/50/93/41/872509341.db2.gz QZMAORPMOLDWJW-UHFFFAOYSA-N 0 1 379.287 3.586 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000767509940 872580442 /nfs/dbraw/zinc/58/04/42/872580442.db2.gz JBCQDUBDGCJEGE-CQSZACIVSA-N 0 1 394.346 3.718 20 10 GHCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000775728342 873235851 /nfs/dbraw/zinc/23/58/51/873235851.db2.gz RQLJEXAGFVCSDW-OAHLLOKOSA-N 0 1 384.785 3.738 20 10 GHCDMN CCN(Cc1cc2c(cc1O)OC[C@H]2O)Cc1cc(Br)ccc1F ZINC000768439867 873303847 /nfs/dbraw/zinc/30/38/47/873303847.db2.gz LHZBUSJTDDRJJA-QGZVFWFLSA-N 0 1 396.256 3.742 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1cccc(Br)c1)[C@H](O)CO2 ZINC000768442148 873305065 /nfs/dbraw/zinc/30/50/65/873305065.db2.gz JRDIBGMXVSESOF-FUHWJXTLSA-N 0 1 390.277 3.918 20 10 GHCDMN CN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000775739179 873307951 /nfs/dbraw/zinc/30/79/51/873307951.db2.gz MIDANDDXJXKJBJ-CQSZACIVSA-N 0 1 390.263 3.799 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3oc(C)cc3C)CC2)c1O ZINC000527587992 873326851 /nfs/dbraw/zinc/32/68/51/873326851.db2.gz PFTCGBPDFLPUBR-UHFFFAOYSA-N 0 1 392.883 3.658 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2[nH]1 ZINC000768915070 873682915 /nfs/dbraw/zinc/68/29/15/873682915.db2.gz IUBNGAZEGDYSGV-KRWDZBQOSA-N 0 1 383.879 3.921 20 10 GHCDMN O=C(Cc1cc(F)ccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768916420 873685075 /nfs/dbraw/zinc/68/50/75/873685075.db2.gz QJQUJHVVWICNJZ-KRWDZBQOSA-N 0 1 394.849 3.647 20 10 GHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000769024166 873748008 /nfs/dbraw/zinc/74/80/08/873748008.db2.gz UOCOWDKVASCJHE-VXKWHMMOSA-N 0 1 387.955 3.876 20 10 GHCDMN CN1CCO[C@@H]([C@@H](NCc2ccc3c(c2)CCCN3C)c2ccc(Cl)cc2)C1 ZINC000769016858 873779062 /nfs/dbraw/zinc/77/90/62/873779062.db2.gz KTJISSVJEAVJSM-PKTZIBPZSA-N 0 1 399.966 3.884 20 10 GHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769191979 873844594 /nfs/dbraw/zinc/84/45/94/873844594.db2.gz NQHRLANTDQTNHB-GASCZTMLSA-N 0 1 386.367 3.689 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)ccc1[O-] ZINC000528002564 873871128 /nfs/dbraw/zinc/87/11/28/873871128.db2.gz JRWJUXNOMKXOQW-MEDUHNTESA-N 0 1 375.266 3.632 20 10 GHCDMN Cc1cc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nn1-c1ccncc1 ZINC001197547970 873892449 /nfs/dbraw/zinc/89/24/49/873892449.db2.gz FATOFXZBUQPBTA-NRFANRHFSA-N 0 1 390.487 3.952 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000769234578 873910834 /nfs/dbraw/zinc/91/08/34/873910834.db2.gz WLORAGHNCOBIRN-QHCPKHFHSA-N 0 1 394.494 3.617 20 10 GHCDMN CCc1nsc(N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1 ZINC000769485419 874070196 /nfs/dbraw/zinc/07/01/96/874070196.db2.gz SDFNFVRFFUQOKX-UHFFFAOYSA-N 0 1 380.517 3.795 20 10 GHCDMN CCN(Cc1cn2cccc(F)c2n1)Cc1cc(Br)ccc1O ZINC000769541347 874145054 /nfs/dbraw/zinc/14/50/54/874145054.db2.gz VAIVFUZYGWXMFW-UHFFFAOYSA-N 0 1 378.245 3.964 20 10 GHCDMN COc1ccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1 ZINC000769662659 874220357 /nfs/dbraw/zinc/22/03/57/874220357.db2.gz FNKVJOLADRWQSS-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN COc1cccc2sc(NC(=O)CN[C@@H](C)c3ccc(N(C)C)cc3)nc21 ZINC000775833491 874302750 /nfs/dbraw/zinc/30/27/50/874302750.db2.gz JYMJSQPSVDGUBB-ZDUSSCGKSA-N 0 1 384.505 3.660 20 10 GHCDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834614 874314275 /nfs/dbraw/zinc/31/42/75/874314275.db2.gz BGSAPSAEELXZSY-LBPRGKRZSA-N 0 1 376.844 3.604 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509300 874316504 /nfs/dbraw/zinc/31/65/04/874316504.db2.gz BYASHBCXIJZDND-UZLBHIALSA-N 0 1 391.471 3.608 20 10 GHCDMN O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291868 874580431 /nfs/dbraw/zinc/58/04/31/874580431.db2.gz NDTHWUQEJQKLLX-YLJYHZDGSA-N 0 1 390.524 3.812 20 10 GHCDMN O=C1CCCN1C[C@@H](NCc1c(O)cccc1Br)c1ccccc1 ZINC000858099216 882843862 /nfs/dbraw/zinc/84/38/62/882843862.db2.gz UUEFILXGRHQWSY-QGZVFWFLSA-N 0 1 389.293 3.608 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)ccc1N1CCCCC1 ZINC000775970405 874981516 /nfs/dbraw/zinc/98/15/16/874981516.db2.gz FPTNLWKWGXLSAS-HXUWFJFHSA-N 0 1 392.463 3.582 20 10 GHCDMN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1 ZINC000771059416 875014828 /nfs/dbraw/zinc/01/48/28/875014828.db2.gz QWFOHWBGFBWKGG-MRXNPFEDSA-N 0 1 376.859 3.888 20 10 GHCDMN CN(C)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771065463 875018850 /nfs/dbraw/zinc/01/88/50/875018850.db2.gz NFPCAABCFHYLDT-GOSISDBHSA-N 0 1 387.911 3.506 20 10 GHCDMN Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771069620 875020061 /nfs/dbraw/zinc/02/00/61/875020061.db2.gz ZWHGKYJAUUSDLO-MRXNPFEDSA-N 0 1 376.859 3.888 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000858164231 882901326 /nfs/dbraw/zinc/90/13/26/882901326.db2.gz UAUJYLFKYIRXEV-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN CN1CCN(c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)CC1 ZINC000771521749 875310762 /nfs/dbraw/zinc/31/07/62/875310762.db2.gz VRTOTGKRCOAQFV-XDJHFCHBSA-N 0 1 395.553 3.844 20 10 GHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000029889545 875627335 /nfs/dbraw/zinc/62/73/35/875627335.db2.gz YXTOJYZXINDMQV-UHFFFAOYSA-N 0 1 382.504 3.743 20 10 GHCDMN COc1ccc(N2CC[C@H](NCc3c(C)nn(-c4ccccn4)c3Cl)C2)cc1 ZINC000850347323 876838775 /nfs/dbraw/zinc/83/87/75/876838775.db2.gz QFWXHZGUVKYSFN-INIZCTEOSA-N 0 1 397.910 3.606 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000850487104 876962330 /nfs/dbraw/zinc/96/23/30/876962330.db2.gz FUUVFJBWIGNATB-KNQAVFIVSA-N 0 1 380.467 3.526 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000850503345 876977744 /nfs/dbraw/zinc/97/77/44/876977744.db2.gz WLEHDOAZEIWCRU-NQZOLGFYSA-N 0 1 386.330 3.762 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N(Cc1ccccc1)C1CC1 ZINC000109761860 877423778 /nfs/dbraw/zinc/42/37/78/877423778.db2.gz NJDCDPWRTAFTRY-QFIPXVFZSA-N 0 1 394.515 3.564 20 10 GHCDMN Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(Br)c1 ZINC000109773037 877428875 /nfs/dbraw/zinc/42/88/75/877428875.db2.gz IEORWJRMBIVTQP-ZDUSSCGKSA-N 0 1 377.282 3.922 20 10 GHCDMN CN(C)[C@H]1CCOc2c(NC(=S)NCCCN(C)c3ccccc3)cccc21 ZINC000788346231 878010224 /nfs/dbraw/zinc/01/02/24/878010224.db2.gz RZXOFNXVMBGMIL-FQEVSTJZSA-N 0 1 398.576 3.885 20 10 GHCDMN CC[C@](NCc1cc(Br)cc(F)c1O)(C(=O)OC)c1ccccc1 ZINC001183219761 912356499 /nfs/dbraw/zinc/35/64/99/912356499.db2.gz YEXSYJBBKHTSHT-GOSISDBHSA-N 0 1 396.256 3.862 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4cn[nH]c4C)CC3)ccc21 ZINC000375938391 879414645 /nfs/dbraw/zinc/41/46/45/879414645.db2.gz QZIGCTOAARMGKV-UHFFFAOYSA-N 0 1 394.519 3.956 20 10 GHCDMN O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000805003176 883548177 /nfs/dbraw/zinc/54/81/77/883548177.db2.gz LLYCHPCTGMDWLF-UHFFFAOYSA-N 0 1 391.258 3.884 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccncc1Br ZINC000806379941 884617424 /nfs/dbraw/zinc/61/74/24/884617424.db2.gz DLPASVOQIOYYMK-UHFFFAOYSA-N 0 1 391.052 3.600 20 10 GHCDMN COc1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1Cn1cccn1 ZINC000898183482 884642702 /nfs/dbraw/zinc/64/27/02/884642702.db2.gz JSRNEDJOQGKABG-KRWDZBQOSA-N 0 1 379.508 3.787 20 10 GHCDMN Cc1cc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c(C)nn1 ZINC000861060527 885209720 /nfs/dbraw/zinc/20/97/20/885209720.db2.gz RLUPJVQSCOSZSE-UHFFFAOYSA-N 0 1 392.503 3.558 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OCC(F)(F)F)cn1 ZINC000807840274 885771432 /nfs/dbraw/zinc/77/14/32/885771432.db2.gz WKBRDOZRKJMRAS-UHFFFAOYSA-N 0 1 395.164 3.965 20 10 GHCDMN CCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)n1 ZINC000807841107 885772973 /nfs/dbraw/zinc/77/29/73/885772973.db2.gz SBQQJCOQOVCOPT-UHFFFAOYSA-N 0 1 382.169 3.864 20 10 GHCDMN Cc1cc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000807836545 885801025 /nfs/dbraw/zinc/80/10/25/885801025.db2.gz DYMKVGVGVXFKDN-UHFFFAOYSA-N 0 1 385.203 3.611 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000807839273 885805828 /nfs/dbraw/zinc/80/58/28/885805828.db2.gz KFEMPILMMJYHTQ-GFCCVEGCSA-N 0 1 383.206 3.580 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000808093926 886010447 /nfs/dbraw/zinc/01/04/47/886010447.db2.gz ZNODNKAMCLOPFQ-UHFFFAOYSA-N 0 1 393.262 3.812 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)Cc2ccc3c(c2)nnn3C)cc1 ZINC000809731901 887714533 /nfs/dbraw/zinc/71/45/33/887714533.db2.gz WKSAYVCMSCMZNC-UHFFFAOYSA-N 0 1 375.476 3.830 20 10 GHCDMN C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc(Br)c1O ZINC000809769042 887756600 /nfs/dbraw/zinc/75/66/00/887756600.db2.gz FUCKUATUWNEDHM-LBPRGKRZSA-N 0 1 391.313 3.981 20 10 GHCDMN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809750306 887786392 /nfs/dbraw/zinc/78/63/92/887786392.db2.gz TVTCUJXXUADMNH-OAHLLOKOSA-N 0 1 395.297 3.859 20 10 GHCDMN COc1c([O-])c(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000809789572 887842778 /nfs/dbraw/zinc/84/27/78/887842778.db2.gz MSVNKZDTDDYCCJ-VQTJNVASSA-N 0 1 394.427 3.874 20 10 GHCDMN CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212483 888290348 /nfs/dbraw/zinc/29/03/48/888290348.db2.gz RNDNADHYNKCSER-KRWDZBQOSA-N 0 1 396.409 3.777 20 10 GHCDMN COc1ccc(N2CCN(CCC(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000122041642 889347806 /nfs/dbraw/zinc/34/78/06/889347806.db2.gz NWLOPQCGOMSZAC-UHFFFAOYSA-N 0 1 391.874 3.639 20 10 GHCDMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000122391905 889719011 /nfs/dbraw/zinc/71/90/11/889719011.db2.gz JTJAGXPXILVXIR-LJQANCHMSA-N 0 1 386.561 3.875 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc4c(cccc4F)s3)cc2)CC1 ZINC001133123658 890256998 /nfs/dbraw/zinc/25/69/98/890256998.db2.gz VEMIHEMMJRJGKP-UHFFFAOYSA-N 0 1 383.492 3.722 20 10 GHCDMN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2F)cc1Cn1cccn1 ZINC000873051140 891444517 /nfs/dbraw/zinc/44/45/17/891444517.db2.gz ZYUWAXYIQYQELW-OAHLLOKOSA-N 0 1 399.466 3.947 20 10 GHCDMN CN(C)c1ccc(CN2CCCC[C@]23CC(=O)N(CC(F)F)C3)c(Cl)c1 ZINC001275369752 913588076 /nfs/dbraw/zinc/58/80/76/913588076.db2.gz DLKMEPSJYVCPFY-LJQANCHMSA-N 0 1 385.886 3.628 20 10 GHCDMN C[C@H](Sc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000813685211 891875316 /nfs/dbraw/zinc/87/53/16/891875316.db2.gz DLNQADWDFPILME-VIFPVBQESA-N 0 1 399.299 3.595 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000813682960 891876186 /nfs/dbraw/zinc/87/61/86/891876186.db2.gz ODWCKSWNJVXMNX-HUUCEWRRSA-N 0 1 399.318 3.744 20 10 GHCDMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814178332 892345849 /nfs/dbraw/zinc/34/58/49/892345849.db2.gz MGNMVKIUMDSUPH-KRWDZBQOSA-N 0 1 387.474 3.512 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000825881935 893219539 /nfs/dbraw/zinc/21/95/39/893219539.db2.gz AJOWWEXNFHQQOB-LBPRGKRZSA-N 0 1 378.822 3.635 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000825881935 893219556 /nfs/dbraw/zinc/21/95/56/893219556.db2.gz AJOWWEXNFHQQOB-LBPRGKRZSA-N 0 1 378.822 3.635 20 10 GHCDMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815070583 893415074 /nfs/dbraw/zinc/41/50/74/893415074.db2.gz ZWUOFTNBYBYTDM-OAQYLSRUSA-N 0 1 381.520 3.981 20 10 GHCDMN CC1(C)N[C@H](c2cccc(Br)c2O)N(CC2CCCCC2)C1=O ZINC000877857582 893860921 /nfs/dbraw/zinc/86/09/21/893860921.db2.gz VISUVPKRTBHHDN-INIZCTEOSA-N 0 1 381.314 3.944 20 10 GHCDMN COc1ccc(N2CCCN(Cc3conc3Cc3ccccc3)CC2)cc1 ZINC000816494937 894860881 /nfs/dbraw/zinc/86/08/81/894860881.db2.gz FGFCDAUXBFGGPJ-UHFFFAOYSA-N 0 1 377.488 3.986 20 10 GHCDMN O=C(NCC[NH2+]Cc1ccc2ccccc2c1[O-])c1cccc(Br)c1 ZINC000816550714 894919213 /nfs/dbraw/zinc/91/92/13/894919213.db2.gz ZMCQITHBUFTGKU-UHFFFAOYSA-N 0 1 399.288 3.828 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc2cc(O)c(O)cc2s1 ZINC001136196822 896457480 /nfs/dbraw/zinc/45/74/80/896457480.db2.gz MRHVEAJDYWAUEK-INIZCTEOSA-N 0 1 382.485 3.707 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000819581760 896825301 /nfs/dbraw/zinc/82/53/01/896825301.db2.gz FBEWGSUWPRHDMX-AUSIDOKSSA-N 0 1 395.547 3.721 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000820134261 897183684 /nfs/dbraw/zinc/18/36/84/897183684.db2.gz RSRNJCNAKQETPS-KRWDZBQOSA-N 0 1 399.510 3.559 20 10 GHCDMN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131427110 897458197 /nfs/dbraw/zinc/45/81/97/897458197.db2.gz IMLUJRVPKVADQC-MRXNPFEDSA-N 0 1 385.483 3.697 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cc(F)ccc2Br)ccc1[N+](=O)[O-] ZINC000774979479 914330211 /nfs/dbraw/zinc/33/02/11/914330211.db2.gz ZEWZODFKLDJIKP-UHFFFAOYSA-N 0 1 385.189 3.500 20 10 GHCDMN Oc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C(F)(F)F)c1 ZINC000289786116 914346872 /nfs/dbraw/zinc/34/68/72/914346872.db2.gz HMIBSTYZYJUKNN-UHFFFAOYSA-N 0 1 398.400 3.801 20 10 GHCDMN CCN1CCN(c2ccc(CN[C@@H](C)c3nc(C)sc3C)cc2F)CC1 ZINC000772879578 899488097 /nfs/dbraw/zinc/48/80/97/899488097.db2.gz JNAPBUKSBNVTSG-AWEZNQCLSA-N 0 1 376.545 3.892 20 10 GHCDMN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000824501644 899670998 /nfs/dbraw/zinc/67/09/98/899670998.db2.gz QYYIBRDKGLPBNV-LBPRGKRZSA-N 0 1 387.318 3.938 20 10 GHCDMN CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824649708 899738359 /nfs/dbraw/zinc/73/83/59/899738359.db2.gz HGKFGKWATAMUEV-CYBMUJFWSA-N 0 1 383.330 3.527 20 10 GHCDMN CC[C@@H](NCc1nc(-c2ccccn2)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000825187697 900036049 /nfs/dbraw/zinc/03/60/49/900036049.db2.gz CDMRTDKBOWUNQU-CYBMUJFWSA-N 0 1 377.370 3.832 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000844217264 900582759 /nfs/dbraw/zinc/58/27/59/900582759.db2.gz KCLHCGDIJDUXTM-FNORWQNLSA-N 0 1 396.447 3.609 20 10 GHCDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844207364 900602047 /nfs/dbraw/zinc/60/20/47/900602047.db2.gz BQDAAQDPGNHPOT-LEVJEWGPSA-N 0 1 395.459 3.793 20 10 GHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cncc(Br)c1 ZINC001186410918 914507195 /nfs/dbraw/zinc/50/71/95/914507195.db2.gz ORKYKEKFFQTIIV-UHFFFAOYSA-N 0 1 385.283 3.782 20 10 GHCDMN CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000845990352 902569550 /nfs/dbraw/zinc/56/95/50/902569550.db2.gz NSCZKEJOKUTGBP-UHFFFAOYSA-N 0 1 393.890 3.868 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846103536 902718211 /nfs/dbraw/zinc/71/82/11/902718211.db2.gz QBARRSLLWLADSF-MRXNPFEDSA-N 0 1 389.381 3.899 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846215084 902790655 /nfs/dbraw/zinc/79/06/55/902790655.db2.gz KCTPPTBUURSYSB-CVEARBPZSA-N 0 1 391.309 3.972 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CCc4cccc(C(=O)[O-])c4C3)cc2)CC1 ZINC000846275640 902839590 /nfs/dbraw/zinc/83/95/90/902839590.db2.gz RVWMARBDSXYNLT-UHFFFAOYSA-N 0 1 380.488 3.558 20 10 GHCDMN CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136095 904466228 /nfs/dbraw/zinc/46/62/28/904466228.db2.gz FRAUTRGONZXXJN-KGLIPLIRSA-N 0 1 377.920 3.830 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000773267399 904637466 /nfs/dbraw/zinc/63/74/66/904637466.db2.gz OPGLVCGINGFZJI-YLJYHZDGSA-N 0 1 384.524 3.851 20 10 GHCDMN COCCOc1ccc(N2CCN([C@@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172725500 905774309 /nfs/dbraw/zinc/77/43/09/905774309.db2.gz TWVWIMRDSGTJOF-OAQYLSRUSA-N 0 1 386.923 3.655 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000186029775 907869003 /nfs/dbraw/zinc/86/90/03/907869003.db2.gz UKVRISHADISBLN-INIZCTEOSA-N 0 1 396.512 3.936 20 10 GHCDMN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245542418 909718686 /nfs/dbraw/zinc/71/86/86/909718686.db2.gz POQYPUQUSHPPTD-CRAIPNDOSA-N 0 1 382.243 3.518 20 10 GHCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001179965935 909873120 /nfs/dbraw/zinc/87/31/20/909873120.db2.gz CGZJVPOKQNLDHB-GFCCVEGCSA-N 0 1 391.336 3.561 20 10 GHCDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001181601685 910855509 /nfs/dbraw/zinc/85/55/09/910855509.db2.gz RJWYNSYBQRINIF-UHFFFAOYSA-N 0 1 376.541 3.923 20 10 GHCDMN CCOC1CC([N@@H+](C)Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001182114943 911181513 /nfs/dbraw/zinc/18/15/13/911181513.db2.gz CWKCWOQWZFHSAZ-UHFFFAOYSA-N 0 1 393.119 3.917 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000091857958 911306181 /nfs/dbraw/zinc/30/61/81/911306181.db2.gz QJDYDYDKBKOBRH-UHFFFAOYSA-N 0 1 380.275 3.945 20 10 GHCDMN CC[C@@H]1C[C@H](OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCO1 ZINC000774183586 911501924 /nfs/dbraw/zinc/50/19/24/911501924.db2.gz NFAOFQWVGZIMBU-QZTJIDSGSA-N 0 1 384.520 3.909 20 10 GHCDMN COc1ccc(N2CCC(N[C@@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)cc1 ZINC000774478593 911784321 /nfs/dbraw/zinc/78/43/21/911784321.db2.gz MTLCZMSFSIURNZ-HSZRJFAPSA-N 0 1 394.494 3.916 20 10 GHCDMN C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000284468121 911879326 /nfs/dbraw/zinc/87/93/26/911879326.db2.gz VQANHAMKIGUGME-ZDUSSCGKSA-N 0 1 381.398 3.510 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@@H]1c1ccc(C)o1)cc2=O ZINC000303716058 915069435 /nfs/dbraw/zinc/06/94/35/915069435.db2.gz ACJVHEFBEYXLID-QGZVFWFLSA-N 0 1 398.463 3.630 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488035 918243425 /nfs/dbraw/zinc/24/34/25/918243425.db2.gz GDTAMLHAUHYFOR-PBHICJAKSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498586 918371650 /nfs/dbraw/zinc/37/16/50/918371650.db2.gz BGOAYEKFYRUWHK-QGZVFWFLSA-N 0 1 391.309 3.902 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)ccc1[O-] ZINC000775509063 918476894 /nfs/dbraw/zinc/47/68/94/918476894.db2.gz YZQILLMLBANETE-QGZVFWFLSA-N 0 1 387.281 3.976 20 10 GHCDMN C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1ccc(Br)cc1O ZINC000903342169 922942973 /nfs/dbraw/zinc/94/29/73/922942973.db2.gz XTNRIIQICVOAAR-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN CCCCN1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276078793 925249892 /nfs/dbraw/zinc/24/98/92/925249892.db2.gz QRYIQGAPNNDNBQ-UHFFFAOYSA-N 0 1 395.341 3.769 20 10 GHCDMN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276079164 925268136 /nfs/dbraw/zinc/26/81/36/925268136.db2.gz XOYXEGHLOKZCCA-APHBMKBZSA-N 0 1 381.314 3.519 20 10 GHCDMN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Br ZINC001276079164 925268146 /nfs/dbraw/zinc/26/81/46/925268146.db2.gz XOYXEGHLOKZCCA-APHBMKBZSA-N 0 1 381.314 3.519 20 10 GHCDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800287 929804987 /nfs/dbraw/zinc/80/49/87/929804987.db2.gz YQENKOAWAZAGAM-VGSWGCGISA-N 0 1 396.535 3.540 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@H]2CCCc3[nH]ncc32)c(C)n1-c1ccc(F)cc1 ZINC000758135920 929939042 /nfs/dbraw/zinc/93/90/42/929939042.db2.gz IADNDAULSGUEGU-KRWDZBQOSA-N 0 1 395.434 3.802 20 10 GHCDMN O=C(/C=C/c1cccc(O)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000780934874 930644263 /nfs/dbraw/zinc/64/42/63/930644263.db2.gz DDDFJHYEFHBPBI-YOCVDRLZSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C/c1cccc(O)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000780934874 930644271 /nfs/dbraw/zinc/64/42/71/930644271.db2.gz DDDFJHYEFHBPBI-YOCVDRLZSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C/c1cccc(O)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934874 930644275 /nfs/dbraw/zinc/64/42/75/930644275.db2.gz DDDFJHYEFHBPBI-YOCVDRLZSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C/c1cccc(O)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934874 930644277 /nfs/dbraw/zinc/64/42/77/930644277.db2.gz DDDFJHYEFHBPBI-YOCVDRLZSA-N 0 1 386.879 3.545 20 10 GHCDMN Oc1ccccc1CN(Cc1cncn1Cc1ccccc1)C[C@H]1CCCO1 ZINC000782513038 931248761 /nfs/dbraw/zinc/24/87/61/931248761.db2.gz NIHAQFIYIQNZOQ-JOCHJYFZSA-N 0 1 377.488 3.818 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(CCCc4ccccc4)o3)cc2)CC1 ZINC000777518092 931314169 /nfs/dbraw/zinc/31/41/69/931314169.db2.gz BWHVMTQLZAATIF-UHFFFAOYSA-N 0 1 391.519 3.609 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnn1C1CCC1 ZINC000926558329 932228329 /nfs/dbraw/zinc/22/83/29/932228329.db2.gz DRHMGZZVNSADQI-AWEZNQCLSA-N 0 1 376.451 3.574 20 10 GHCDMN O=C(C[C@H]1CCC(F)(F)C1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000797943565 932466406 /nfs/dbraw/zinc/46/64/06/932466406.db2.gz SWQFCAGQAKJFMY-CZUORRHYSA-N 0 1 386.870 3.952 20 10 GHCDMN Cc1ccc(CCNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000559583698 932744736 /nfs/dbraw/zinc/74/47/36/932744736.db2.gz VYHVEEHLVWVVIZ-UHFFFAOYSA-N 0 1 379.504 3.668 20 10 GHCDMN CCN(CC)c1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1F ZINC000798956402 932838444 /nfs/dbraw/zinc/83/84/44/932838444.db2.gz WFGFDSAMSLVVGL-UHFFFAOYSA-N 0 1 389.437 3.562 20 10 GHCDMN COC(=O)c1cc2ccccc2c(CN(C)Cc2cnc(C(C)C)nc2)c1O ZINC000799582127 933049175 /nfs/dbraw/zinc/04/91/75/933049175.db2.gz XCQSTNDEMASEDA-UHFFFAOYSA-N 0 1 379.460 3.877 20 10 GHCDMN CCc1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1 ZINC000799932452 933174828 /nfs/dbraw/zinc/17/48/28/933174828.db2.gz PXTXNSWGSJVWHL-AWEZNQCLSA-N 0 1 389.931 3.861 20 10 GHCDMN Cn1cc(-c2ccnc(C3CC[NH+](Cc4cc(Cl)ccc4[O-])CC3)n2)cn1 ZINC000828072975 935573144 /nfs/dbraw/zinc/57/31/44/935573144.db2.gz JNTZHKQSVKAGTH-UHFFFAOYSA-N 0 1 383.883 3.616 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H](Cc3ccncc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828771317 935705623 /nfs/dbraw/zinc/70/56/23/935705623.db2.gz YSVZIGAITFEFDZ-IBGZPJMESA-N 0 1 392.478 3.771 20 10 GHCDMN CO[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000828775255 935706166 /nfs/dbraw/zinc/70/61/66/935706166.db2.gz VCXXHDJTJNLSIV-KRWDZBQOSA-N 0 1 375.900 3.826 20 10 GHCDMN COc1ccc(CN2CC[C@]3(CCC[N@@H+](Cc4c([O-])cccc4F)C3)C2=O)cc1 ZINC001137834307 935813398 /nfs/dbraw/zinc/81/33/98/935813398.db2.gz BQWWTLCHUBXJPD-QHCPKHFHSA-N 0 1 398.478 3.555 20 10 GHCDMN Cc1cc(C(=O)CN2CCC3(CCOCC3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000829542608 935825333 /nfs/dbraw/zinc/82/53/33/935825333.db2.gz UAWPPIYJCPMKDI-UHFFFAOYSA-N 0 1 385.483 3.704 20 10 GHCDMN CC[C@]([NH2+]Cc1cc(Br)cc(F)c1O)(C(=O)[O-])c1ccccc1 ZINC001595298520 980418559 /nfs/dbraw/zinc/41/85/59/980418559.db2.gz NNVIVFKPLQCGOV-QGZVFWFLSA-N 0 1 382.229 3.774 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2ccc3cncn3c2)ccc1C ZINC001626097538 1014880265 /nfs/dbraw/zinc/88/02/65/1014880265.db2.gz PPOPUXXTDUEYEV-UHFFFAOYSA-N 0 1 386.455 3.793 20 10 GHCDMN CCOc1cccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1O ZINC001597153746 986938276 /nfs/dbraw/zinc/93/82/76/986938276.db2.gz NAKAUCMKNPFPDK-INIZCTEOSA-N 0 1 394.265 3.811 20 10 GHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C(=O)[O-] ZINC001598505894 992502687 /nfs/dbraw/zinc/50/26/87/992502687.db2.gz SANVRBNCMICJIE-HXUWFJFHSA-N 0 1 382.435 3.761 20 10 GHCDMN CC1(C)OCc2cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)ccc2O1 ZINC001593980907 997196435 /nfs/dbraw/zinc/19/64/35/997196435.db2.gz OWOCHPUZXFRBJI-UHFFFAOYSA-N 0 1 391.851 3.778 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1F ZINC001227273254 1032350054 /nfs/dbraw/zinc/35/00/54/1032350054.db2.gz ODEKLPYJOHHPPX-UHFFFAOYSA-N 0 1 398.526 3.698 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)N2CC(N(C)Cc3ccccc3)C2)cc1F ZINC001227273254 1032350065 /nfs/dbraw/zinc/35/00/65/1032350065.db2.gz ODEKLPYJOHHPPX-UHFFFAOYSA-N 0 1 398.526 3.698 20 10 GHCDMN CCO[C@@H](C)COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227659548 1032508172 /nfs/dbraw/zinc/50/81/72/1032508172.db2.gz RLVAWMFTTAXHLE-VIFPVBQESA-N 0 1 386.356 3.613 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC(C)(C)C3)cc2F)CC1 ZINC001221805122 1032540973 /nfs/dbraw/zinc/54/09/73/1032540973.db2.gz KNWRZBGGBFVGHI-GOSISDBHSA-N 0 1 390.547 3.736 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccncc2)Cc2ccc(O)cc2O)C1 ZINC001204277849 1032719095 /nfs/dbraw/zinc/71/90/95/1032719095.db2.gz MHRKYWJBJFYCPE-GOSISDBHSA-N 0 1 399.491 3.504 20 10 GHCDMN c1ncn2c1CN(Cc1ccc(N3CCCC3)cc1)C[C@@H](COCC1CC1)C2 ZINC001204328188 1032772055 /nfs/dbraw/zinc/77/20/55/1032772055.db2.gz QHRRWXYRPQJDQL-OAQYLSRUSA-N 0 1 380.536 3.542 20 10 GHCDMN CC(C)[C@H](Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1)C(F)(F)F ZINC001228516822 1032967381 /nfs/dbraw/zinc/96/73/81/1032967381.db2.gz ORVASNFXDVMTFI-KRWDZBQOSA-N 0 1 386.322 3.706 20 10 GHCDMN Cc1cnc(F)c([C@@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)c1 ZINC001228522864 1032969678 /nfs/dbraw/zinc/96/96/78/1032969678.db2.gz QLLKKAVUMZMHTJ-LLVKDONJSA-N 0 1 399.374 3.723 20 10 GHCDMN C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccsc1 ZINC000801570665 1021411570 /nfs/dbraw/zinc/41/15/70/1021411570.db2.gz PKBHKTGBFMNMGC-CYBMUJFWSA-N 0 1 390.464 3.813 20 10 GHCDMN O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001140339701 1021447082 /nfs/dbraw/zinc/44/70/82/1021447082.db2.gz LPBLZTLZBNDRMW-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001140339701 1021447087 /nfs/dbraw/zinc/44/70/87/1021447087.db2.gz LPBLZTLZBNDRMW-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN COCCN(Cc1c(O)cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342585 1021455184 /nfs/dbraw/zinc/45/51/84/1021455184.db2.gz PWJCGTTVIUMVGI-CQSZACIVSA-N 0 1 384.904 3.503 20 10 GHCDMN O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140344449 1021458831 /nfs/dbraw/zinc/45/88/31/1021458831.db2.gz JXVBSKHKWBBUJD-INIZCTEOSA-N 0 1 376.928 3.954 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(Cl)cc2[O-])cs1 ZINC001140467440 1021762777 /nfs/dbraw/zinc/76/27/77/1021762777.db2.gz PXBGCYIKWZESBI-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(Cl)cc2[O-])cs1 ZINC001140467440 1021762793 /nfs/dbraw/zinc/76/27/93/1021762793.db2.gz PXBGCYIKWZESBI-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140467150 1021764299 /nfs/dbraw/zinc/76/42/99/1021764299.db2.gz NEKCWUWDMUEZEQ-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140467150 1021764321 /nfs/dbraw/zinc/76/43/21/1021764321.db2.gz NEKCWUWDMUEZEQ-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(F)cc2F)C[C@@H]1C(F)(F)F ZINC001140585350 1022009530 /nfs/dbraw/zinc/00/95/30/1022009530.db2.gz GIERYZGAJOYLII-CQSZACIVSA-N 0 1 396.356 3.654 20 10 GHCDMN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3Cl)O2)n1 ZINC001140923823 1022900425 /nfs/dbraw/zinc/90/04/25/1022900425.db2.gz HBJRLHNRBWDNSR-KZNAEPCWSA-N 0 1 376.888 3.592 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2cn(CC)nc21 ZINC001141077063 1023440491 /nfs/dbraw/zinc/44/04/91/1023440491.db2.gz MEJIQVVNUATGGU-JOCHJYFZSA-N 0 1 394.563 3.738 20 10 GHCDMN CCOc1ccc(O)c(CN(CCO)Cc2cc(Br)cs2)c1 ZINC000756123346 1023529301 /nfs/dbraw/zinc/52/93/01/1023529301.db2.gz VPNGTSZECPJDED-UHFFFAOYSA-N 0 1 386.311 3.609 20 10 GHCDMN Cc1csc([C@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCCN5C)C[C@H]3O2)n1 ZINC001141141942 1023572550 /nfs/dbraw/zinc/57/25/50/1023572550.db2.gz AOYPGOTUOZSRFX-PWIZWCRZSA-N 0 1 385.533 3.632 20 10 GHCDMN COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000756378849 1023618735 /nfs/dbraw/zinc/61/87/35/1023618735.db2.gz IJFRAVZCETZJIR-LBPRGKRZSA-N 0 1 393.281 3.590 20 10 GHCDMN CSc1nc2ccccc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156656920 1033160563 /nfs/dbraw/zinc/16/05/63/1033160563.db2.gz BXKREHLPOVDRAT-UHFFFAOYSA-N 0 1 379.533 3.716 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)ccc1[O-] ZINC000756710317 1023783941 /nfs/dbraw/zinc/78/39/41/1023783941.db2.gz BCERBKQVUDDZNE-ABAIWWIYSA-N 0 1 393.256 3.750 20 10 GHCDMN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000756779589 1023812207 /nfs/dbraw/zinc/81/22/07/1023812207.db2.gz TYKXAWJOHCBWNM-LLVKDONJSA-N 0 1 385.302 3.672 20 10 GHCDMN C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000756846627 1023833090 /nfs/dbraw/zinc/83/30/90/1023833090.db2.gz WEIVAQXHFYQNPS-ZDUSSCGKSA-N 0 1 376.451 3.769 20 10 GHCDMN CN1Cc2ccccc2[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000756995904 1023902824 /nfs/dbraw/zinc/90/28/24/1023902824.db2.gz LZPMCFIOUWNKOT-HXUWFJFHSA-N 0 1 380.492 3.861 20 10 GHCDMN Cc1csc([C@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000830545024 1023979259 /nfs/dbraw/zinc/97/92/59/1023979259.db2.gz VSVCKWGDZXZHCS-CJNGLKHVSA-N 0 1 393.940 3.695 20 10 GHCDMN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cccc(F)c4[O-])C[C@H]2C3)c1 ZINC001138125031 1024169855 /nfs/dbraw/zinc/16/98/55/1024169855.db2.gz HNFKXRDTVGCJCC-AEFFLSMTSA-N 0 1 393.462 3.712 20 10 GHCDMN COc1c(C)cnc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)c1C ZINC000831048834 1024328946 /nfs/dbraw/zinc/32/89/46/1024328946.db2.gz POTPTZMQNURAIO-UHFFFAOYSA-N 0 1 383.536 3.954 20 10 GHCDMN Cc1c(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c2ccccc2n1C ZINC001138255747 1024478960 /nfs/dbraw/zinc/47/89/60/1024478960.db2.gz QVHJILAVNNVFQU-SXSPYAJSSA-N 0 1 391.515 3.940 20 10 GHCDMN CCc1ncnc2c1CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141369765 1024747115 /nfs/dbraw/zinc/74/71/15/1024747115.db2.gz XZQDVSVOMZFDGC-UHFFFAOYSA-N 0 1 396.716 3.761 20 10 GHCDMN CCN(CC)c1ccc(CN2CCc3ncnc(OC(C)C)c3CC2)c(OC)c1 ZINC001138387868 1024762288 /nfs/dbraw/zinc/76/22/88/1024762288.db2.gz OHHHOAYDDKVEQI-UHFFFAOYSA-N 0 1 398.551 3.719 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](Oc3ccnc(OC)c3)C2)c(OC)c1 ZINC001138392389 1024769801 /nfs/dbraw/zinc/76/98/01/1024769801.db2.gz VSONCSQENYHPEA-FQEVSTJZSA-N 0 1 385.508 3.598 20 10 GHCDMN O=C(Cc1ccccc1O[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O ZINC000832060233 1025192327 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3.891 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC001140060042 1026839990 /nfs/dbraw/zinc/83/99/90/1026839990.db2.gz HZKQYFVUFDMYRN-KGLIPLIRSA-N 0 1 392.393 3.809 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC001203562277 1027434070 /nfs/dbraw/zinc/43/40/70/1027434070.db2.gz GRDBULBIDKIJAE-NOZJJQNGSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001203575236 1027443401 /nfs/dbraw/zinc/44/34/01/1027443401.db2.gz HKGKENYQCZQODX-ZWKOTPCHSA-N 0 1 378.303 3.943 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001203575236 1027443406 /nfs/dbraw/zinc/44/34/06/1027443406.db2.gz HKGKENYQCZQODX-ZWKOTPCHSA-N 0 1 378.303 3.943 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001203575236 1027443411 /nfs/dbraw/zinc/44/34/11/1027443411.db2.gz HKGKENYQCZQODX-ZWKOTPCHSA-N 0 1 378.303 3.943 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CN1c1ccccn1 ZINC001203577429 1027447350 /nfs/dbraw/zinc/44/73/50/1027447350.db2.gz CKSKREXUHMXSLP-LJQANCHMSA-N 0 1 392.286 3.723 20 10 GHCDMN CCOC[C@H]1CN(Cc2cccc(OCC)c2O)Cc2cn(CC3CC3)nc21 ZINC001203608525 1027473438 /nfs/dbraw/zinc/47/34/38/1027473438.db2.gz SJDOHWNUHAKXCV-LJQANCHMSA-N 0 1 385.508 3.533 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1N(C)C ZINC000840759460 1027797616 /nfs/dbraw/zinc/79/76/16/1027797616.db2.gz MLSQNUCDLIGHJB-OAHLLOKOSA-N 0 1 375.463 3.718 20 10 GHCDMN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000840808904 1027849817 /nfs/dbraw/zinc/84/98/17/1027849817.db2.gz OLPAZERYFZFJIU-JSGCOSHPSA-N 0 1 380.282 3.590 20 10 GHCDMN Cc1cc(O)c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c(Cl)c1 ZINC000840884426 1027920945 /nfs/dbraw/zinc/92/09/45/1027920945.db2.gz MHIVOSPIKHNQMZ-UHFFFAOYSA-N 0 1 396.940 3.721 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000840948492 1027980019 /nfs/dbraw/zinc/98/00/19/1027980019.db2.gz SQLJLEHDTARECW-GFCCVEGCSA-N 0 1 378.822 3.635 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000840948492 1027980024 /nfs/dbraw/zinc/98/00/24/1027980024.db2.gz SQLJLEHDTARECW-GFCCVEGCSA-N 0 1 378.822 3.635 20 10 GHCDMN Cc1nc2cc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)ccc2[nH]1 ZINC001213075613 1027986531 /nfs/dbraw/zinc/98/65/31/1027986531.db2.gz XHCPNHORMJNVKI-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001142512821 1029017664 /nfs/dbraw/zinc/01/76/64/1029017664.db2.gz MMKKPSMZZFQUKZ-JBBXEZCESA-N 0 1 378.444 3.966 20 10 GHCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)NCc1cccs1 ZINC000842908047 1029676996 /nfs/dbraw/zinc/67/69/96/1029676996.db2.gz KITLIASRZKNNIG-ABAIWWIYSA-N 0 1 397.338 3.962 20 10 GHCDMN CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cccc(C(C)(C)C)c3O)CCO2)C1 ZINC001143108300 1029845417 /nfs/dbraw/zinc/84/54/17/1029845417.db2.gz MYRJMOGZHDZHJA-HSZRJFAPSA-N 0 1 388.552 3.539 20 10 GHCDMN COc1c(C)cc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)cc1C ZINC001217553755 1030487555 /nfs/dbraw/zinc/48/75/55/1030487555.db2.gz IVKYCXVLEBJCFZ-UHFFFAOYSA-N 0 1 380.356 3.547 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001217553389 1030488132 /nfs/dbraw/zinc/48/81/32/1030488132.db2.gz CEZYISMPUBOTOH-UHFFFAOYSA-N 0 1 392.701 3.853 20 10 GHCDMN C[C@H](Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O)c1cnc2ccccn21 ZINC001229192840 1033332887 /nfs/dbraw/zinc/33/28/87/1033332887.db2.gz VQZRQKXYDINOJW-ZDUSSCGKSA-N 0 1 384.391 3.955 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001461851128 1069791572 /nfs/dbraw/zinc/79/15/72/1069791572.db2.gz QXCRBAKCHKQFBO-CMPLNLGQSA-N 0 1 388.611 3.696 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001461851128 1069791591 /nfs/dbraw/zinc/79/15/91/1069791591.db2.gz QXCRBAKCHKQFBO-CMPLNLGQSA-N 0 1 388.611 3.696 20 10 GHCDMN CCC[C@H](Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21)C(C)(C)C ZINC001229773207 1033703993 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384.520 3.741 20 10 GHCDMN C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566894 1034717284 /nfs/dbraw/zinc/71/72/84/1034717284.db2.gz SISSLUHATBQZDN-UHFFFAOYSA-N 0 1 388.895 3.840 20 10 GHCDMN CN(Cc1ccc(Cl)cc1)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566894 1034717302 /nfs/dbraw/zinc/71/73/02/1034717302.db2.gz SISSLUHATBQZDN-UHFFFAOYSA-N 0 1 388.895 3.840 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)cc(Br)c1[O-] ZINC001277540396 1034754229 /nfs/dbraw/zinc/75/42/29/1034754229.db2.gz LKXUOCAKSOZNDQ-IAGOWNOFSA-N 0 1 395.341 3.829 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1=O ZINC001277540467 1034756010 /nfs/dbraw/zinc/75/60/10/1034756010.db2.gz NPEMWJSILBUZIS-KUHUBIRLSA-N 0 1 395.341 3.686 20 10 GHCDMN COc1cc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)c(O)cc1O ZINC001231638962 1034796642 /nfs/dbraw/zinc/79/66/42/1034796642.db2.gz JATDAXIPLAVSLV-IMJJTQAJSA-N 0 1 377.481 3.581 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001231849743 1034940867 /nfs/dbraw/zinc/94/08/67/1034940867.db2.gz YAZJPGNWHDWIMV-KRWDZBQOSA-N 0 1 391.556 3.840 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001231851306 1034941651 /nfs/dbraw/zinc/94/16/51/1034941651.db2.gz DJCMEQBHGLZLIH-QFIPXVFZSA-N 0 1 389.540 3.737 20 10 GHCDMN CC[C@@H]1[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001231879029 1034962858 /nfs/dbraw/zinc/96/28/58/1034962858.db2.gz SUDRIKJRFWUDRZ-URXFXBBRSA-N 0 1 396.531 3.927 20 10 GHCDMN CC[C@@H]1[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001231879029 1034962860 /nfs/dbraw/zinc/96/28/60/1034962860.db2.gz SUDRIKJRFWUDRZ-URXFXBBRSA-N 0 1 396.531 3.927 20 10 GHCDMN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231878835 1034963129 /nfs/dbraw/zinc/96/31/29/1034963129.db2.gz QLQAYITZHZKLGE-VLCRHTCISA-N 0 1 394.515 3.584 20 10 GHCDMN O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231878835 1034963131 /nfs/dbraw/zinc/96/31/31/1034963131.db2.gz QLQAYITZHZKLGE-VLCRHTCISA-N 0 1 394.515 3.584 20 10 GHCDMN O=C1Nc2ncccc2C2(CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)O1 ZINC001231881145 1034965147 /nfs/dbraw/zinc/96/51/47/1034965147.db2.gz SHMVLLFTNVFDQA-UHFFFAOYSA-N 0 1 375.428 3.994 20 10 GHCDMN COc1ccc(N2CCN(Cc3c[nH]c4c3cccc4OC)CC2)c(OC)c1 ZINC001231897772 1034975952 /nfs/dbraw/zinc/97/59/52/1034975952.db2.gz SXHMROJFTCQTAH-UHFFFAOYSA-N 0 1 381.476 3.516 20 10 GHCDMN c1[nH]nc2cc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)ccc12 ZINC001231910187 1034984376 /nfs/dbraw/zinc/98/43/76/1034984376.db2.gz ZNSNDERUPARSEJ-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN [O-]c1c(Cl)cccc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001231911518 1034986638 /nfs/dbraw/zinc/98/66/38/1034986638.db2.gz MVRUVIHVRNGEAY-WMZOPIPTSA-N 0 1 376.859 3.522 20 10 GHCDMN [O-]c1c(Cl)cccc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001231911516 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[O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237939080 1042429701 /nfs/dbraw/zinc/42/97/01/1042429701.db2.gz SHFUPKZLWDYOGS-UHFFFAOYSA-N 0 1 390.890 3.857 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2ccccc2n1 ZINC001294859081 1044820691 /nfs/dbraw/zinc/82/06/91/1044820691.db2.gz HTYAHEJOJMPIHY-GOSISDBHSA-N 0 1 395.890 3.988 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001303215954 1047313172 /nfs/dbraw/zinc/31/31/72/1047313172.db2.gz RHVCTJPSQMFXFV-OAHLLOKOSA-N 0 1 383.883 3.885 20 10 GHCDMN COc1ccc(CN2CC3(C2)CC[N@@H+](Cc2scnc2C)C3)c([O-])c1Cl ZINC001279664703 1047904935 /nfs/dbraw/zinc/90/49/35/1047904935.db2.gz BDDHRWPAVQLPDU-UHFFFAOYSA-N 0 1 393.940 3.527 20 10 GHCDMN C[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001307609935 1049448470 /nfs/dbraw/zinc/44/84/70/1049448470.db2.gz DKBBPAYZQJWCFE-HNNXBMFYSA-N 0 1 384.435 3.751 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2ncc(Br)cc2O)cc1 ZINC001290323849 1049801922 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3.913 20 10 GHCDMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-])NC(=O)OC(C)(C)C ZINC001308834795 1050114589 /nfs/dbraw/zinc/11/45/89/1050114589.db2.gz AHMLWXDCIVRTHV-NWDGAFQWSA-N 0 1 387.318 3.936 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC001308850442 1050122898 /nfs/dbraw/zinc/12/28/98/1050122898.db2.gz GFYCKTFETGUERI-UHFFFAOYSA-N 0 1 399.378 3.925 20 10 GHCDMN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC001329732216 1050896639 /nfs/dbraw/zinc/89/66/39/1050896639.db2.gz WUOYHESTGGWGLY-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN C[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC001312833542 1052887707 /nfs/dbraw/zinc/88/77/07/1052887707.db2.gz OTOTUVRYFTXUBZ-MRXNPFEDSA-N 0 1 386.927 3.652 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1COc2cc(F)ccc2C1 ZINC001313039555 1052940850 /nfs/dbraw/zinc/94/08/50/1052940850.db2.gz IYUQKDCAFZUEPM-CYBMUJFWSA-N 0 1 385.222 3.641 20 10 GHCDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001320387238 1055782115 /nfs/dbraw/zinc/78/21/15/1055782115.db2.gz SCQXJPQIGUZLJG-PXNSSMCTSA-N 0 1 382.504 3.508 20 10 GHCDMN CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC001320396756 1055786598 /nfs/dbraw/zinc/78/65/98/1055786598.db2.gz DFPADJHNFIABOF-CZUORRHYSA-N 0 1 383.330 3.844 20 10 GHCDMN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1O)c1ccc(N2CCOCC2)cc1 ZINC001442409244 1058959744 /nfs/dbraw/zinc/95/97/44/1058959744.db2.gz HLQGOJBSBPVOOZ-ZDUSSCGKSA-N 0 1 394.393 3.739 20 10 GHCDMN COC1CCN(CCNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001340020600 1059624880 /nfs/dbraw/zinc/62/48/80/1059624880.db2.gz NDNMOUOOAUGTJD-UHFFFAOYSA-N 0 1 389.927 3.588 20 10 GHCDMN Cc1cc(N(C)C)ccc1Cn1c(N2CCN(C(C)C)CC2)nnc1C(C)(C)C ZINC001361097921 1061598254 /nfs/dbraw/zinc/59/82/54/1061598254.db2.gz LUKTZGFKALNGHC-UHFFFAOYSA-N 0 1 398.599 3.529 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)cc2F)CC1 ZINC001456127516 1062498043 /nfs/dbraw/zinc/49/80/43/1062498043.db2.gz JAKAEHBTQLMXJA-ZIFCJYIRSA-N 0 1 375.532 3.656 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(F)cc(Cl)c3)cc2F)CC1 ZINC001456127752 1062498850 /nfs/dbraw/zinc/49/88/50/1062498850.db2.gz JNQHAPNXDXHTEU-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001457145951 1062989953 /nfs/dbraw/zinc/98/99/53/1062989953.db2.gz FXWNMNAVQVVCAM-CQSZACIVSA-N 0 1 383.883 3.683 20 10 GHCDMN CCCCOCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001463572831 1064471202 /nfs/dbraw/zinc/47/12/02/1064471202.db2.gz GWVCVBUNKDCUIJ-UHFFFAOYSA-N 0 1 385.552 3.731 20 10 GHCDMN C/C(=C/c1ccccn1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590610 1065702656 /nfs/dbraw/zinc/70/26/56/1065702656.db2.gz BRODZAKDWIEIKA-HVEPWOEZSA-N 0 1 385.895 3.625 20 10 GHCDMN C/C(=C/c1ccccn1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590610 1065702673 /nfs/dbraw/zinc/70/26/73/1065702673.db2.gz BRODZAKDWIEIKA-HVEPWOEZSA-N 0 1 385.895 3.625 20 10 GHCDMN C/C(=C/c1ccccn1)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590610 1065702689 /nfs/dbraw/zinc/70/26/89/1065702689.db2.gz BRODZAKDWIEIKA-HVEPWOEZSA-N 0 1 385.895 3.625 20 10 GHCDMN CN(C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001470963299 1072852565 /nfs/dbraw/zinc/85/25/65/1072852565.db2.gz TZNQWJNFMLUIPA-FAOGRTBUSA-N 0 1 395.286 3.837 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncnc4cccc(OC)c43)cc2F)CC1 ZINC001472688041 1073619406 /nfs/dbraw/zinc/61/94/06/1073619406.db2.gz QTAZZABTRAXWDW-UHFFFAOYSA-N 0 1 395.482 3.532 20 10 GHCDMN COC(=O)c1c(CN2CCS[C@@H]3CCCC[C@H]32)c2cc(F)ccc2n1C ZINC001474343315 1074354220 /nfs/dbraw/zinc/35/42/20/1074354220.db2.gz MXEBYZVDRASPOU-QZTJIDSGSA-N 0 1 376.497 3.964 20 10 GHCDMN COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001474616329 1074486564 /nfs/dbraw/zinc/48/65/64/1074486564.db2.gz MOLNEPAFQFJXLP-KRWDZBQOSA-N 0 1 386.448 3.915 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001474710187 1074529077 /nfs/dbraw/zinc/52/90/77/1074529077.db2.gz AZVKKBZMEDIBSB-UHFFFAOYSA-N 0 1 378.266 3.648 20 10 GHCDMN O=C([O-])C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1 ZINC000833247434 601046059 /nfs/dbraw/zinc/04/60/59/601046059.db2.gz JEUMDGHDNNHVQS-UHFFFAOYSA-N 0 1 396.447 3.606 20 10 GHCDMN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CCOCC1 ZINC000833247434 601046060 /nfs/dbraw/zinc/04/60/60/601046060.db2.gz JEUMDGHDNNHVQS-UHFFFAOYSA-N 0 1 396.447 3.606 20 10 GHCDMN Cc1ccc(CN(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1 ZINC000683492656 837406502 /nfs/dbraw/zinc/40/65/02/837406502.db2.gz RGIQCNDTWQOCBL-UHFFFAOYSA-N 0 1 390.531 3.770 20 10 GHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000173186071 837590463 /nfs/dbraw/zinc/59/04/63/837590463.db2.gz IWFOMZUZYWWYFJ-UHFFFAOYSA-N 0 1 382.851 3.835 20 10 GHCDMN Cc1cc(C(=O)NCc2cn[nH]c2C)c(C)n1-c1ccccc1Br ZINC000728191547 835089259 /nfs/dbraw/zinc/08/92/59/835089259.db2.gz ZMFXKCYKEFSOIO-UHFFFAOYSA-N 0 1 387.281 3.818 20 10 GHCDMN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179572997 835882286 /nfs/dbraw/zinc/88/22/86/835882286.db2.gz WNXWQWKRWLGQQW-HNNXBMFYSA-N 0 1 391.462 3.663 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000179736512 835959737 /nfs/dbraw/zinc/95/97/37/835959737.db2.gz FFBFCSYTDREDRX-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000179736512 835959746 /nfs/dbraw/zinc/95/97/46/835959746.db2.gz FFBFCSYTDREDRX-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)ccc1O ZINC000275050741 836021216 /nfs/dbraw/zinc/02/12/16/836021216.db2.gz YKRBAACWZYXBBQ-CYBMUJFWSA-N 0 1 397.880 3.570 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1O ZINC000378006610 838272544 /nfs/dbraw/zinc/27/25/44/838272544.db2.gz OZAOVTHKKODJFV-NRFANRHFSA-N 0 1 390.499 3.737 20 10 GHCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3cc(F)cc(F)c3O)CC2)cs1 ZINC000894064036 844453173 /nfs/dbraw/zinc/45/31/73/844453173.db2.gz HNNBBOZSHLFVNZ-CYBMUJFWSA-N 0 1 397.491 3.542 20 10 GHCDMN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000588404538 840956875 /nfs/dbraw/zinc/95/68/75/840956875.db2.gz XRKPGKDDESTBGF-CNRGFGOASA-N 0 1 386.879 3.718 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000588405462 841000675 /nfs/dbraw/zinc/00/06/75/841000675.db2.gz QUKICFPXEPGMJD-RRZSJFKKSA-N 0 1 385.423 3.893 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC(F)(F)C2)C1 ZINC000650314836 841213557 /nfs/dbraw/zinc/21/35/57/841213557.db2.gz GMOUDOPDOVSLEC-UHFFFAOYSA-N 0 1 375.463 3.666 20 10 GHCDMN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000171148676 861641456 /nfs/dbraw/zinc/64/14/56/861641456.db2.gz IQQAFVJNRZFFFP-UHFFFAOYSA-N 0 1 375.475 3.713 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)cs1 ZINC000271754643 846911046 /nfs/dbraw/zinc/91/10/46/846911046.db2.gz CKUXRKPWVBBUHI-AWEZNQCLSA-N 0 1 395.956 3.917 20 10 GHCDMN COc1cc(C)cc(CNCc2cc(OC)c(OC)cc2Br)c1O ZINC000894247711 846956801 /nfs/dbraw/zinc/95/68/01/846956801.db2.gz UTOZSXKNHUCXRQ-UHFFFAOYSA-N 0 1 396.281 3.779 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(Br)cc1[O-] ZINC000273400879 847328155 /nfs/dbraw/zinc/32/81/55/847328155.db2.gz NBTRSKZXCUXITM-LBPRGKRZSA-N 0 1 377.282 3.707 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000435917204 850987303 /nfs/dbraw/zinc/98/73/03/850987303.db2.gz LOTHECDSYIGHRG-UHFFFAOYSA-N 0 1 395.547 3.579 20 10 GHCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000894560148 851688354 /nfs/dbraw/zinc/68/83/54/851688354.db2.gz QXDPQOVUCUVXEJ-INIZCTEOSA-N 0 1 379.407 3.675 20 10 GHCDMN COc1ccc(CNc2cc(C)cc(CNC(=O)C(F)(F)F)c2)c(O)c1OC ZINC000894744351 852097709 /nfs/dbraw/zinc/09/77/09/852097709.db2.gz RDVRIXCFVIGJHE-UHFFFAOYSA-N 0 1 398.381 3.508 20 10 GHCDMN CN(Cc1csc(C(C)(C)O)n1)Cc1cc(Br)cc(F)c1O ZINC000894928835 854237616 /nfs/dbraw/zinc/23/76/16/854237616.db2.gz LNWJCJRHTGXHQL-UHFFFAOYSA-N 0 1 389.290 3.610 20 10 GHCDMN Cc1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1C ZINC000655166534 855146078 /nfs/dbraw/zinc/14/60/78/855146078.db2.gz ZQAWWSAMJCWRFK-UHFFFAOYSA-N 0 1 390.531 3.736 20 10 GHCDMN Cc1cc(NC(=O)CNCc2ccc(N(C)C)c(F)c2)ccc1Br ZINC000733328107 862868760 /nfs/dbraw/zinc/86/87/60/862868760.db2.gz NZWCYDQNEAIZSV-UHFFFAOYSA-N 0 1 394.288 3.691 20 10 GHCDMN CS(=O)(=O)c1cc(CNCc2ccc3c(c2)CCCO3)cc(C(F)(F)F)c1 ZINC000922113390 857897889 /nfs/dbraw/zinc/89/78/89/857897889.db2.gz IOJQDSNGWZRMSE-UHFFFAOYSA-N 0 1 399.434 3.724 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421355 858805626 /nfs/dbraw/zinc/80/56/26/858805626.db2.gz XTCJNBUSLCRRJL-RNCFNFMXSA-N 0 1 391.103 3.528 20 10 GHCDMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000152997235 881365571 /nfs/dbraw/zinc/36/55/71/881365571.db2.gz WYUXWWWEJMQSAA-INIZCTEOSA-N 0 1 387.911 3.636 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(F)ccc1F 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390.530 3.578 20 10 GHCDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000736946922 865334419 /nfs/dbraw/zinc/33/44/19/865334419.db2.gz XEGHTQGJWPUXFT-QGZVFWFLSA-N 0 1 387.955 3.927 20 10 GHCDMN CC[N@@H+](CCC(=O)OC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000738096501 865484105 /nfs/dbraw/zinc/48/41/05/865484105.db2.gz LHOGDZRJMAOSDD-UHFFFAOYSA-N 0 1 395.455 3.859 20 10 GHCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000183129459 866246132 /nfs/dbraw/zinc/24/61/32/866246132.db2.gz VPLFWAQTKRYZDM-KJXAQDMKSA-N 0 1 383.488 3.740 20 10 GHCDMN O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000793301298 882082249 /nfs/dbraw/zinc/08/22/49/882082249.db2.gz CEBFZQWQMSLDJH-UHFFFAOYSA-N 0 1 396.874 3.864 20 10 GHCDMN Cc1cc(O)c(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cc1C ZINC000743382134 868135708 /nfs/dbraw/zinc/13/57/08/868135708.db2.gz FTSSMJDVGASXIX-QGZVFWFLSA-N 0 1 386.923 3.938 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000743390079 868145769 /nfs/dbraw/zinc/14/57/69/868145769.db2.gz NZHRNNBOKVKAQI-QFIPXVFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000743390079 868145782 /nfs/dbraw/zinc/14/57/82/868145782.db2.gz NZHRNNBOKVKAQI-QFIPXVFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CCCC(O)(CCC)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857473067 882286660 /nfs/dbraw/zinc/28/66/60/882286660.db2.gz SOGYCVNOYUFHNG-GOSISDBHSA-N 0 1 396.959 3.848 20 10 GHCDMN CN(C)[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1 ZINC000745292308 869461879 /nfs/dbraw/zinc/46/18/79/869461879.db2.gz MDBRJVWEFAIERI-HXUWFJFHSA-N 0 1 385.483 3.512 20 10 GHCDMN CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000793690366 882368454 /nfs/dbraw/zinc/36/84/54/882368454.db2.gz VSJJYSSIYVNSBP-ATZDWAIDSA-N 0 1 394.943 3.722 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1Cc2ccc(F)cc21 ZINC000793688793 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C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(N2CCOCC2)cc1 ZINC000858108666 882854061 /nfs/dbraw/zinc/85/40/61/882854061.db2.gz JMCAFNNWXAJBIK-AWEZNQCLSA-N 0 1 391.309 3.842 20 10 GHCDMN C[N@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccccc1O ZINC000770509523 874714582 /nfs/dbraw/zinc/71/45/82/874714582.db2.gz CQBFLWYQUSORNY-UHFFFAOYSA-N 0 1 382.485 3.825 20 10 GHCDMN C[N@@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccccc1O ZINC000770509523 874714591 /nfs/dbraw/zinc/71/45/91/874714591.db2.gz CQBFLWYQUSORNY-UHFFFAOYSA-N 0 1 382.485 3.825 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000858110355 882856211 /nfs/dbraw/zinc/85/62/11/882856211.db2.gz RLHVIPTXABOGBU-CYBMUJFWSA-N 0 1 375.419 3.838 20 10 GHCDMN COc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201371002 875644420 /nfs/dbraw/zinc/64/44/20/875644420.db2.gz LGAQKJVEHLXQFT-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2F)CC1 ZINC000106702804 876238393 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O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000919952168 881242435 /nfs/dbraw/zinc/24/24/35/881242435.db2.gz QQWVGGIHJYLAQX-UHFFFAOYSA-N 0 1 395.890 3.942 20 10 GHCDMN Cc1cc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000858543170 883185971 /nfs/dbraw/zinc/18/59/71/883185971.db2.gz QNUVKXQQIFEDQS-QGZVFWFLSA-N 0 1 397.544 3.901 20 10 GHCDMN C[C@@H]1Cc2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2O1 ZINC000805134846 883614955 /nfs/dbraw/zinc/61/49/55/883614955.db2.gz KYCXHLUCDAGUFC-SECBINFHSA-N 0 1 388.272 3.501 20 10 GHCDMN CC(C)(O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805303307 883715455 /nfs/dbraw/zinc/71/54/55/883715455.db2.gz VUZCZUIRKZYYAM-UHFFFAOYSA-N 0 1 383.275 3.926 20 10 GHCDMN Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000841959490 884338058 /nfs/dbraw/zinc/33/80/58/884338058.db2.gz XZLPBAVZRLTRBA-GOSISDBHSA-N 0 1 383.883 3.888 20 10 GHCDMN NC(=O)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1Cl ZINC000806201352 884442628 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CCc1n[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1Br ZINC000807839945 885770790 /nfs/dbraw/zinc/77/07/90/885770790.db2.gz NJCAMOJUSIXTHT-UHFFFAOYSA-N 0 1 393.068 3.677 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(N2CCCC2=O)c1 ZINC000807835540 885798740 /nfs/dbraw/zinc/79/87/40/885798740.db2.gz GTFGPUNVVAQKGH-UHFFFAOYSA-N 0 1 379.243 3.756 20 10 GHCDMN COc1ccc2c(ccn2CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837503 885802676 /nfs/dbraw/zinc/80/26/76/885802676.db2.gz SANFQFHSTAPDTO-UHFFFAOYSA-N 0 1 379.243 3.979 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(C(=O)NC2CC2)cc1 ZINC000807839277 885805748 /nfs/dbraw/zinc/80/57/48/885805748.db2.gz KGKXHIMKJFRFAZ-UHFFFAOYSA-N 0 1 379.243 3.521 20 10 GHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)n1ccc2ccccc2c1=O ZINC000807839121 885805913 /nfs/dbraw/zinc/80/59/13/885805913.db2.gz XHJPRUFCYQZSNY-NSHDSACASA-N 0 1 391.254 3.891 20 10 GHCDMN OCCNc1nc(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 ZINC000808090298 886010089 /nfs/dbraw/zinc/01/00/89/886010089.db2.gz XYFBLDLAUHQEEV-UHFFFAOYSA-N 0 1 379.247 3.659 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)ccc1O ZINC000808098507 886015822 /nfs/dbraw/zinc/01/58/22/886015822.db2.gz OPTKYNGEUWJDAO-UHFFFAOYSA-N 0 1 393.262 3.812 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccccc1Br ZINC000808115631 886027094 /nfs/dbraw/zinc/02/70/94/886027094.db2.gz MALOIIMGFSOIEO-UHFFFAOYSA-N 0 1 380.622 3.748 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000862245211 886247240 /nfs/dbraw/zinc/24/72/40/886247240.db2.gz KIQDIMJHRKHCMF-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000862245211 886247259 /nfs/dbraw/zinc/24/72/59/886247259.db2.gz KIQDIMJHRKHCMF-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301154 886284761 /nfs/dbraw/zinc/28/47/61/886284761.db2.gz ZHTOPLOKAPVQFS-KBPBESRZSA-N 0 1 383.483 3.766 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)Nc3cnn(-c4ccncc4)c3)cc2)CC1 ZINC000747546486 887182948 /nfs/dbraw/zinc/18/29/48/887182948.db2.gz IFNIQROVZNMUDI-UHFFFAOYSA-N 0 1 390.491 3.825 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000809712192 887731646 /nfs/dbraw/zinc/73/16/46/887731646.db2.gz FJZLFEYXTXFGEJ-UHFFFAOYSA-N 0 1 381.236 3.661 20 10 GHCDMN Cc1nn2c(nc(C(C)C)c2C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000809712128 887732544 /nfs/dbraw/zinc/73/25/44/887732544.db2.gz CONVROAPYLXIGQ-UHFFFAOYSA-N 0 1 395.326 3.981 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212404 888290624 /nfs/dbraw/zinc/29/06/24/888290624.db2.gz AMZVYGRMWBJQNV-HZPDHXFCSA-N 0 1 383.414 3.718 20 10 GHCDMN CCOCc1nc([C@@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)no1 ZINC000810255550 888358920 /nfs/dbraw/zinc/35/89/20/888358920.db2.gz MADRZTGSFMYFIN-RKDXNWHRSA-N 0 1 388.237 3.625 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866435787 888875821 /nfs/dbraw/zinc/87/58/21/888875821.db2.gz GBYOKKSVLFKQIT-AAEUAGOBSA-N 0 1 382.308 3.847 20 10 GHCDMN C[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866440019 888878412 /nfs/dbraw/zinc/87/84/12/888878412.db2.gz COLVZDDGOSGRAD-HNNXBMFYSA-N 0 1 387.503 3.679 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000811528777 889683073 /nfs/dbraw/zinc/68/30/73/889683073.db2.gz HQRCGQJCVWULNY-LLVKDONJSA-N 0 1 383.250 3.981 20 10 GHCDMN COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075343 890973051 /nfs/dbraw/zinc/97/30/51/890973051.db2.gz UADJHWFJUGXCGM-SFHVURJKSA-N 0 1 383.536 3.849 20 10 GHCDMN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075343 890973060 /nfs/dbraw/zinc/97/30/60/890973060.db2.gz UADJHWFJUGXCGM-SFHVURJKSA-N 0 1 383.536 3.849 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000917088444 891070058 /nfs/dbraw/zinc/07/00/58/891070058.db2.gz WJIZWWFBMWAPHZ-LJQANCHMSA-N 0 1 381.520 3.851 20 10 GHCDMN C[C@]12CN(Cc3cc4oc5ccccc5c4cc3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872807118 891338314 /nfs/dbraw/zinc/33/83/14/891338314.db2.gz JPJXAXVGDACJAQ-OYRHEFFESA-N 0 1 385.485 3.548 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc(OC(F)F)c1 ZINC001212054064 891448515 /nfs/dbraw/zinc/44/85/15/891448515.db2.gz BRYRREKUIHDSBJ-UHFFFAOYSA-N 0 1 398.214 3.779 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873184863 891512115 /nfs/dbraw/zinc/51/21/15/891512115.db2.gz JQCYSLGNIGUJIB-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN Oc1cc(Br)ccc1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000825685597 891724673 /nfs/dbraw/zinc/72/46/73/891724673.db2.gz FVGXYAFZOAPXKL-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](O)c1ccc(Cl)cc1F ZINC000813683643 891874643 /nfs/dbraw/zinc/87/46/43/891874643.db2.gz XNGUYKFVCFBVEW-CQSZACIVSA-N 0 1 378.614 3.841 20 10 GHCDMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 ZINC000125516378 892724736 /nfs/dbraw/zinc/72/47/36/892724736.db2.gz LJDMWVYISJQGCW-UHFFFAOYSA-N 0 1 390.505 3.741 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCc4ccccc4-n4ccnc43)cc2)CC1 ZINC000877643837 893738665 /nfs/dbraw/zinc/73/86/65/893738665.db2.gz NYRHXAKHRQQQCK-QFIPXVFZSA-N 0 1 388.515 3.611 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816521124 894876929 /nfs/dbraw/zinc/87/69/29/894876929.db2.gz HREFSBQKAWXMOQ-HNAYVOBHSA-N 0 1 386.492 3.659 20 10 GHCDMN COC(=O)C12CCC(C(=O)NCc3cc(Cl)cc(Cl)c3O)(CC1)CC2 ZINC000816682097 895023858 /nfs/dbraw/zinc/02/38/58/895023858.db2.gz OTEJSTLVZIXQKH-UHFFFAOYSA-N 0 1 386.275 3.829 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2[nH]cnc2cc1F ZINC000816941064 895227835 /nfs/dbraw/zinc/22/78/35/895227835.db2.gz VJRDNXJOUOAZLO-UHFFFAOYSA-N 0 1 392.228 3.832 20 10 GHCDMN CC(=O)N(Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(C)C ZINC000817405204 895583214 /nfs/dbraw/zinc/58/32/14/895583214.db2.gz AWXUFNKDPLPLCS-UHFFFAOYSA-N 0 1 394.563 3.807 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000824376542 899572730 /nfs/dbraw/zinc/57/27/30/899572730.db2.gz JJNYKBPTLHZCBN-FZKQIMNGSA-N 0 1 397.313 3.501 20 10 GHCDMN COc1cccc([C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])N(C)C)c1 ZINC000825044454 899949666 /nfs/dbraw/zinc/94/96/66/899949666.db2.gz VROPNVBTBICMMZ-QGZVFWFLSA-N 0 1 379.298 3.556 20 10 GHCDMN CSCC[C@H](NCc1cc(Cl)c(C)cc1O)c1nnc2ccccn21 ZINC000825070526 899961706 /nfs/dbraw/zinc/96/17/06/899961706.db2.gz GSJKJTSHFOJEEN-HNNXBMFYSA-N 0 1 376.913 3.981 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1O ZINC000048745160 900764157 /nfs/dbraw/zinc/76/41/57/900764157.db2.gz LIQWHBNXUSFSSL-UHFFFAOYSA-N 0 1 396.409 3.546 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1O ZINC000844410078 900840079 /nfs/dbraw/zinc/84/00/79/900840079.db2.gz NBQFIWVAQJHRNO-SJCJKPOMSA-N 0 1 387.455 3.695 20 10 GHCDMN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000844482539 900879305 /nfs/dbraw/zinc/87/93/05/900879305.db2.gz RMTIQMGSABKEBQ-UHFFFAOYSA-N 0 1 390.451 3.570 20 10 GHCDMN CC(C)(C)OC(=O)Nc1ccnc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000886267704 900912608 /nfs/dbraw/zinc/91/26/08/900912608.db2.gz SSXNFQOQBZUCDJ-UHFFFAOYSA-N 0 1 398.507 3.555 20 10 GHCDMN C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000844733114 901250416 /nfs/dbraw/zinc/25/04/16/901250416.db2.gz NOBXWSKRWIWYKP-YOEHRIQHSA-N 0 1 378.476 3.902 20 10 GHCDMN O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])C[C@H]12 ZINC001144292848 901622733 /nfs/dbraw/zinc/62/27/33/901622733.db2.gz ITUYLGJSVVIIIS-KBPBESRZSA-N 0 1 376.225 3.706 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCN(c2cccc(F)c2)CC1 ZINC001144307877 901699528 /nfs/dbraw/zinc/69/95/28/901699528.db2.gz KCNIFDQPDYVXBG-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(Cl)c1OC ZINC000846048746 902632795 /nfs/dbraw/zinc/63/27/95/902632795.db2.gz KLYOREGGVVSUTF-UHFFFAOYSA-N 0 1 375.900 3.721 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112212 902690497 /nfs/dbraw/zinc/69/04/97/902690497.db2.gz QHOTVDKSIMJGEL-DTORHVGOSA-N 0 1 383.030 3.614 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112212 902690493 /nfs/dbraw/zinc/69/04/93/902690493.db2.gz QHOTVDKSIMJGEL-DTORHVGOSA-N 0 1 383.030 3.614 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000846120980 902697035 /nfs/dbraw/zinc/69/70/35/902697035.db2.gz VEGOEIGPWMNMNY-FHWLQOOXSA-N 0 1 384.432 3.804 20 10 GHCDMN C[C@H](c1ccc(Cl)cc1)[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846240356 902816111 /nfs/dbraw/zinc/81/61/11/902816111.db2.gz LVOMPPFLWCKLCZ-LLVKDONJSA-N 0 1 386.839 3.512 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000887562137 902890873 /nfs/dbraw/zinc/89/08/73/902890873.db2.gz BYGTXXAWSLYHTG-UHFFFAOYSA-N 0 1 394.515 3.592 20 10 GHCDMN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772950736 903146300 /nfs/dbraw/zinc/14/63/00/903146300.db2.gz BIEWEDJPTRZWDB-UHFFFAOYSA-N 0 1 390.528 3.616 20 10 GHCDMN CC(C)[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000779150021 904715599 /nfs/dbraw/zinc/71/55/99/904715599.db2.gz JNVUQLAWTKZFKG-ZDUSSCGKSA-N 0 1 393.119 3.774 20 10 GHCDMN CCCCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1O ZINC000801597588 921175049 /nfs/dbraw/zinc/17/50/49/921175049.db2.gz KBSKUOXTKHLQEP-UHFFFAOYSA-N 0 1 381.432 3.973 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Br)ccc1[O-] ZINC000185053557 907704915 /nfs/dbraw/zinc/70/49/15/907704915.db2.gz RRAMITWOTFLTBY-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN COc1cc(O)c(CN2CCC(O)(c3ccccc3Cl)CC2)cc1OC ZINC000194945493 908977817 /nfs/dbraw/zinc/97/78/17/908977817.db2.gz FKDQSKUIPXGHOA-UHFFFAOYSA-N 0 1 377.868 3.546 20 10 GHCDMN CN(C)c1ccc(/C=C\CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC001179332842 909492148 /nfs/dbraw/zinc/49/21/48/909492148.db2.gz HKTGDCBYNOWXON-LLHWWHOWSA-N 0 1 387.886 3.953 20 10 GHCDMN CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])cc1 ZINC001180586630 910256680 /nfs/dbraw/zinc/25/66/80/910256680.db2.gz WTKRLZFYHLNZIM-UHFFFAOYSA-N 0 1 397.700 3.800 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000774115297 911373747 /nfs/dbraw/zinc/37/37/47/911373747.db2.gz CNOBRBYJJYHOBP-MQNAVGNWSA-N 0 1 396.531 3.765 20 10 GHCDMN CNC(=O)C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000795606146 911405236 /nfs/dbraw/zinc/40/52/36/911405236.db2.gz PQDXYTMZMHOTSL-LJQANCHMSA-N 0 1 396.491 3.552 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC001182441949 911670086 /nfs/dbraw/zinc/67/00/86/911670086.db2.gz DGHQEHUAMIKUQU-HNNXBMFYSA-N 0 1 378.375 3.794 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC001182441949 911670090 /nfs/dbraw/zinc/67/00/90/911670090.db2.gz DGHQEHUAMIKUQU-HNNXBMFYSA-N 0 1 378.375 3.794 20 10 GHCDMN O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000092644497 911672708 /nfs/dbraw/zinc/67/27/08/911672708.db2.gz CYBNKXWXOUKOPE-UHFFFAOYSA-N 0 1 378.925 3.678 20 10 GHCDMN CN(C)c1cccc(NS(=O)(=O)c2cc(F)c(Br)c(F)c2)c1 ZINC001189041594 916362867 /nfs/dbraw/zinc/36/28/67/916362867.db2.gz AKLCZDXKHQAOKP-UHFFFAOYSA-N 0 1 391.237 3.594 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000775286100 916855040 /nfs/dbraw/zinc/85/50/40/916855040.db2.gz CRPFQDVNZQZABT-UHFFFAOYSA-N 0 1 395.436 3.551 20 10 GHCDMN O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Br)ccc1Cl ZINC001189751165 916874381 /nfs/dbraw/zinc/87/43/81/916874381.db2.gz PAOPVTCIZFCBMM-UHFFFAOYSA-N 0 1 380.622 3.748 20 10 GHCDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000775403922 917483385 /nfs/dbraw/zinc/48/33/85/917483385.db2.gz KHRSKKCVRUAXKY-HNNXBMFYSA-N 0 1 395.532 3.816 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(F)c1F ZINC001190975043 917677667 /nfs/dbraw/zinc/67/76/67/917677667.db2.gz DPGYRYIVDYZTIW-UHFFFAOYSA-N 0 1 382.215 3.764 20 10 GHCDMN Oc1cc2c(cc1CN1CC[C@](F)(c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000800861815 920539255 /nfs/dbraw/zinc/53/92/55/920539255.db2.gz GGNXYNYUFMXLMO-IEBWSBKVSA-N 0 1 397.368 3.908 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000800914201 920596609 /nfs/dbraw/zinc/59/66/09/920596609.db2.gz SZUMZRSZJKSYHU-UHFFFAOYSA-N 0 1 396.535 3.978 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000801115894 920789094 /nfs/dbraw/zinc/78/90/94/920789094.db2.gz FXPTXUOOYCLWSI-OAQYLSRUSA-N 0 1 395.547 3.587 20 10 GHCDMN Cc1nn(-c2ccccn2)c(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000802637321 922274191 /nfs/dbraw/zinc/27/41/91/922274191.db2.gz QJBMRDXDOFBKPU-FQEVSTJZSA-N 0 1 392.503 3.771 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802659767 922320130 /nfs/dbraw/zinc/32/01/30/922320130.db2.gz WCCQKFLKZNYBES-UHFFFAOYSA-N 0 1 399.292 3.900 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000903423411 923012234 /nfs/dbraw/zinc/01/22/34/923012234.db2.gz CKEPYTZFMFNCTP-QGZVFWFLSA-N 0 1 382.913 3.682 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000903425629 923016334 /nfs/dbraw/zinc/01/63/34/923016334.db2.gz LFHNHLJTFOZRCK-GFCCVEGCSA-N 0 1 380.897 3.801 20 10 GHCDMN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000370679768 924253521 /nfs/dbraw/zinc/25/35/21/924253521.db2.gz XUNVBHMOFJIFTR-QRWLVFNGSA-N 0 1 386.467 3.845 20 10 GHCDMN CC(C)CN1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276076360 925256424 /nfs/dbraw/zinc/25/64/24/925256424.db2.gz BKKALGIYFCAGOX-UHFFFAOYSA-N 0 1 395.341 3.625 20 10 GHCDMN CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2O)nc1 ZINC000827944373 926371028 /nfs/dbraw/zinc/37/10/28/926371028.db2.gz DHWKTMNTDXSQMK-UHFFFAOYSA-N 0 1 393.281 3.749 20 10 GHCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962366 926958364 /nfs/dbraw/zinc/95/83/64/926958364.db2.gz WMOUZVVHRAFBCC-JKSUJKDBSA-N 0 1 396.487 3.655 20 10 GHCDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962366 926958375 /nfs/dbraw/zinc/95/83/75/926958375.db2.gz WMOUZVVHRAFBCC-JKSUJKDBSA-N 0 1 396.487 3.655 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000751435062 928189949 /nfs/dbraw/zinc/18/99/49/928189949.db2.gz LYPYWLOHBIBLDQ-UHFFFAOYSA-N 0 1 383.883 3.885 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752597544 928915041 /nfs/dbraw/zinc/91/50/41/928915041.db2.gz XODBMICYZSPYHL-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597544 928915048 /nfs/dbraw/zinc/91/50/48/928915048.db2.gz XODBMICYZSPYHL-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597544 928915055 /nfs/dbraw/zinc/91/50/55/928915055.db2.gz XODBMICYZSPYHL-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000758157566 929951717 /nfs/dbraw/zinc/95/17/17/929951717.db2.gz NLHRQERQEWVNNR-IBGZPJMESA-N 0 1 378.476 3.718 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H](CC(C)C)C2)c1 ZINC000759144147 930287551 /nfs/dbraw/zinc/28/75/51/930287551.db2.gz MULVLNPXBGWZMB-LJQANCHMSA-N 0 1 388.552 3.685 20 10 GHCDMN CCN(CC)c1ccc(CN(C)CC(=O)N(C)Cc2cccc(OC)c2)cc1 ZINC000781619839 930909236 /nfs/dbraw/zinc/90/92/36/930909236.db2.gz UMUYFDSYUKRCPD-UHFFFAOYSA-N 0 1 383.536 3.632 20 10 GHCDMN COc1ccc(Oc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000783707484 931623769 /nfs/dbraw/zinc/62/37/69/931623769.db2.gz QBGGYCLXJFSUIR-QNGOZBTKSA-N 0 1 386.407 3.949 20 10 GHCDMN Cc1cc(C(=O)CN(C)[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829113889 935769487 /nfs/dbraw/zinc/76/94/87/935769487.db2.gz PRLQVQFHELSFRX-QAQDUYKDSA-N 0 1 375.900 3.561 20 10 GHCDMN COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4c([O-])cccc4F)C[C@H]2C3)c1 ZINC001137834583 935813709 /nfs/dbraw/zinc/81/37/09/935813709.db2.gz LRYHBJUGPBUUNS-WBVHZDCISA-N 0 1 393.462 3.712 20 10 GHCDMN Cc1cc(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)c(C)n1-c1ccccc1 ZINC001137857744 935829024 /nfs/dbraw/zinc/82/90/24/935829024.db2.gz LPMUBDMOWZBZSA-UHFFFAOYSA-N 0 1 379.426 3.737 20 10 GHCDMN Cc1cc(Br)cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1O ZINC001594272086 957683528 /nfs/dbraw/zinc/68/35/28/957683528.db2.gz RDZUBVQCJIITIH-MRXNPFEDSA-N 0 1 376.250 3.647 20 10 GHCDMN CC(=O)[C@H]1CCCCN1Cc1cc(Br)cc(Br)c1O ZINC001203568754 1027439463 /nfs/dbraw/zinc/43/94/63/1027439463.db2.gz VXGVYAGQZMRRIX-CYBMUJFWSA-N 0 1 391.103 3.861 20 10 GHCDMN CCCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203567416 1027438044 /nfs/dbraw/zinc/43/80/44/1027438044.db2.gz QJVGQROYDFYUSA-GFCCVEGCSA-N 0 1 393.119 3.918 20 10 GHCDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001591712389 975606380 /nfs/dbraw/zinc/60/63/80/975606380.db2.gz RSCSZJGTJPXITR-QFIPXVFZSA-N 0 1 382.504 3.559 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC001598317952 991310332 /nfs/dbraw/zinc/31/03/32/991310332.db2.gz SHHJPUFWTCJXPF-KRWDZBQOSA-N 0 1 377.282 3.773 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(OC2CCC(C(F)(F)F)CC2)c1O ZINC001227620279 1032488262 /nfs/dbraw/zinc/48/82/62/1032488262.db2.gz DUADLOZRMFLSSP-UHFFFAOYSA-N 0 1 382.356 3.527 20 10 GHCDMN CCc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC001204239240 1032682783 /nfs/dbraw/zinc/68/27/83/1032682783.db2.gz UALLUDRZIACQHB-FQEVSTJZSA-N 0 1 380.488 3.883 20 10 GHCDMN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1ccc(N2CCOCC2)cc1 ZINC000930742993 1017871137 /nfs/dbraw/zinc/87/11/37/1017871137.db2.gz ACRKBIGIRCXGMK-GOSISDBHSA-N 0 1 397.519 3.593 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)c1ccc(F)cc1 ZINC001204329008 1032771812 /nfs/dbraw/zinc/77/18/12/1032771812.db2.gz BDRVSIPHWIYUQZ-OAQYLSRUSA-N 0 1 381.495 3.820 20 10 GHCDMN C[C@H](COc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1)Oc1ccccc1 ZINC001228519001 1032968611 /nfs/dbraw/zinc/96/86/11/1032968611.db2.gz LCRAGOQEQPEFKC-CYBMUJFWSA-N 0 1 396.395 3.586 20 10 GHCDMN Cc1nc[nH]c1CN1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001204591424 1032986912 /nfs/dbraw/zinc/98/69/12/1032986912.db2.gz FTTIXTFRXNCDRB-KRWDZBQOSA-N 0 1 399.878 3.679 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464927 1021757872 /nfs/dbraw/zinc/75/78/72/1021757872.db2.gz FDJKVGFDPDCEKB-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464927 1021757885 /nfs/dbraw/zinc/75/78/85/1021757885.db2.gz FDJKVGFDPDCEKB-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@@H]1c1ccccc1 ZINC000835070593 1021861456 /nfs/dbraw/zinc/86/14/56/1021861456.db2.gz PBJYNVAQOROBFV-HZPDHXFCSA-N 0 1 390.277 3.543 20 10 GHCDMN c1[nH]c2ncccc2c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001137407087 1022147190 /nfs/dbraw/zinc/14/71/90/1022147190.db2.gz AKBSNWANDKDQQE-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN Cc1c(O)ccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1O ZINC001140747676 1022422180 /nfs/dbraw/zinc/42/21/80/1022422180.db2.gz IKXGSTVPWOSIQG-UHFFFAOYSA-N 0 1 396.409 3.623 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140856431 1022712511 /nfs/dbraw/zinc/71/25/11/1022712511.db2.gz BISNKIBGLCTUJU-OAQYLSRUSA-N 0 1 395.519 3.677 20 10 GHCDMN COc1cc(O)c(CN2CCN(Cc3ccc4ccccc4c3)CC2)c(OC)c1 ZINC001141030546 1023295344 /nfs/dbraw/zinc/29/53/44/1023295344.db2.gz BAHLYOMREWKYNF-UHFFFAOYSA-N 0 1 392.499 3.880 20 10 GHCDMN COc1cc(OC)c(OC)cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756335420 1023595295 /nfs/dbraw/zinc/59/52/95/1023595295.db2.gz IEDGFRPVVYKQQK-SFHVURJKSA-N 0 1 387.476 3.599 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(Cl)cc3-c3ccncc3)cc2)CC1 ZINC001156656733 1033159201 /nfs/dbraw/zinc/15/92/01/1033159201.db2.gz ZZVJUBWOVNMPRU-UHFFFAOYSA-N 0 1 394.910 3.556 20 10 GHCDMN COc1cc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nc2cc1OC ZINC001156657272 1033160940 /nfs/dbraw/zinc/16/09/40/1033160940.db2.gz KWJRVRNWPVFHEN-UHFFFAOYSA-N 0 1 392.503 3.616 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(Br)cc1[O-] ZINC000756710866 1023784116 /nfs/dbraw/zinc/78/41/16/1023784116.db2.gz GDWDNFRZOJCLLH-IAQYHMDHSA-N 0 1 393.256 3.750 20 10 GHCDMN C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cc(F)cc(F)c1[O-] ZINC000756846626 1023832502 /nfs/dbraw/zinc/83/25/02/1023832502.db2.gz WEIVAQXHFYQNPS-CYBMUJFWSA-N 0 1 376.451 3.769 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)C3CCCC3)CC2)cc1 ZINC000756877911 1023845173 /nfs/dbraw/zinc/84/51/73/1023845173.db2.gz WARGOVRRPJDLIX-UHFFFAOYSA-N 0 1 387.568 3.540 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001138125455 1024168726 /nfs/dbraw/zinc/16/87/26/1024168726.db2.gz PWOFFOVTWJFCKE-SIKLNZKXSA-N 0 1 386.467 3.514 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001138125314 1024169683 /nfs/dbraw/zinc/16/96/83/1024169683.db2.gz NWBALMFZBOMNDW-SIKLNZKXSA-N 0 1 386.467 3.514 20 10 GHCDMN c1cnn(Cc2ncn3c2CN(Cc2ccc(N4CCCCC4)cc2)CCC3)c1 ZINC001138218468 1024389693 /nfs/dbraw/zinc/38/96/93/1024389693.db2.gz HQVANUDVRRISMP-UHFFFAOYSA-N 0 1 390.535 3.524 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H](Oc3nccc(C)n3)C2)c(OC)c1 ZINC001138392513 1024771209 /nfs/dbraw/zinc/77/12/09/1024771209.db2.gz YKUBDDGYOHGXEU-FQEVSTJZSA-N 0 1 384.524 3.683 20 10 GHCDMN Fc1ccc(CC2CN(Cc3ccc(N4CCOCC4)c(F)c3)C2)cc1F ZINC000839143521 1025638933 /nfs/dbraw/zinc/63/89/33/1025638933.db2.gz HRZAYLSVOXOMHZ-UHFFFAOYSA-N 0 1 376.422 3.615 20 10 GHCDMN Cc1nn(-c2ccccc2)cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146551 1025642592 /nfs/dbraw/zinc/64/25/92/1025642592.db2.gz LSHAFKQMZPHZFT-UHFFFAOYSA-N 0 1 398.457 3.585 20 10 GHCDMN Oc1cc2c(cc1O)CN(Cc1c[nH]c3ncc(C(F)(F)F)cc13)CCC2 ZINC001139540495 1026401719 /nfs/dbraw/zinc/40/17/19/1026401719.db2.gz ITBNWUNLARTZCW-UHFFFAOYSA-N 0 1 377.366 3.941 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001140100881 1026879520 /nfs/dbraw/zinc/87/95/20/1026879520.db2.gz GFJFYILPWAOIGN-UHFFFAOYSA-N 0 1 380.257 3.777 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(O)(c2ccccc2F)CC1 ZINC001140100881 1026879528 /nfs/dbraw/zinc/87/95/28/1026879528.db2.gz GFJFYILPWAOIGN-UHFFFAOYSA-N 0 1 380.257 3.777 20 10 GHCDMN Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102361 1026883053 /nfs/dbraw/zinc/88/30/53/1026883053.db2.gz NNMNFUSYUUVTPR-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102361 1026883061 /nfs/dbraw/zinc/88/30/61/1026883061.db2.gz NNMNFUSYUUVTPR-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN Nc1ccncc1CN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209732637 1027127560 /nfs/dbraw/zinc/12/75/60/1027127560.db2.gz ARXFUOKIYKVZAN-UHFFFAOYSA-N 0 1 385.471 3.625 20 10 GHCDMN Cn1cccc1CN1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001203266926 1027253501 /nfs/dbraw/zinc/25/35/01/1027253501.db2.gz AMDMKMOBANGJEO-IBGZPJMESA-N 0 1 398.890 3.986 20 10 GHCDMN Cc1cc2[nH]ncc2cc1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001210104668 1027342415 /nfs/dbraw/zinc/34/24/15/1027342415.db2.gz AHYRWTAGBSNYME-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN COC[C@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203563114 1027436628 /nfs/dbraw/zinc/43/66/28/1027436628.db2.gz VTEFWWJQNQAAQE-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(Cl)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001203575557 1027445396 /nfs/dbraw/zinc/44/53/96/1027445396.db2.gz RLJGKUZKXOWTLA-NZVBXONLSA-N 0 1 384.263 3.743 20 10 GHCDMN Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4cc(Cl)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001203575556 1027445688 /nfs/dbraw/zinc/44/56/88/1027445688.db2.gz RLJGKUZKXOWTLA-COLVAYQJSA-N 0 1 384.263 3.743 20 10 GHCDMN COCCN1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])Cc2cccnc21 ZINC001203577343 1027445751 /nfs/dbraw/zinc/44/57/51/1027445751.db2.gz BNRIVMRZHZJSKB-UHFFFAOYSA-N 0 1 382.291 3.563 20 10 GHCDMN COCCN1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])Cc2cccnc21 ZINC001203577343 1027445752 /nfs/dbraw/zinc/44/57/52/1027445752.db2.gz BNRIVMRZHZJSKB-UHFFFAOYSA-N 0 1 382.291 3.563 20 10 GHCDMN COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC001203586160 1027454318 /nfs/dbraw/zinc/45/43/18/1027454318.db2.gz LWEFWCRMJCUKIL-CYBMUJFWSA-N 0 1 384.263 3.541 20 10 GHCDMN C[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001203636282 1027493784 /nfs/dbraw/zinc/49/37/84/1027493784.db2.gz SEAORHAJHVNIIG-IINYFYTJSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001203636282 1027493797 /nfs/dbraw/zinc/49/37/97/1027493797.db2.gz SEAORHAJHVNIIG-IINYFYTJSA-N 0 1 382.220 3.680 20 10 GHCDMN Cc1cccc(O[C@@H]2CCCN(Cc3cc(Br)ccc3O)C2)n1 ZINC001203648749 1027505273 /nfs/dbraw/zinc/50/52/73/1027505273.db2.gz SGDRBHAUDCGZBD-MRXNPFEDSA-N 0 1 377.282 3.902 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(F)ccc3OC[C@@H]3CCCO3)cc2)CC1 ZINC001461296476 1069485661 /nfs/dbraw/zinc/48/56/61/1069485661.db2.gz WTZAGUUXABJMNA-NRFANRHFSA-N 0 1 399.510 3.747 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(F)ccc3OC[C@H]3CCCO3)cc2)CC1 ZINC001461296478 1069485524 /nfs/dbraw/zinc/48/55/24/1069485524.db2.gz WTZAGUUXABJMNA-OAQYLSRUSA-N 0 1 399.510 3.747 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c(Cl)c1 ZINC000840898339 1027931098 /nfs/dbraw/zinc/93/10/98/1027931098.db2.gz DCMMRBPWGYTBAK-MRXNPFEDSA-N 0 1 384.259 3.602 20 10 GHCDMN CN1CCO[C@H]([C@@H](NCc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)C1 ZINC001461403980 1069536015 /nfs/dbraw/zinc/53/60/15/1069536015.db2.gz BKPKLOFHIBYFTH-VXKWHMMOSA-N 0 1 386.923 3.827 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744278 1028906025 /nfs/dbraw/zinc/90/60/25/1028906025.db2.gz GSTKNKCUBVAFOS-AWEZNQCLSA-N 0 1 396.940 3.724 20 10 GHCDMN Cc1ccccc1-n1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000843391055 1029958590 /nfs/dbraw/zinc/95/85/90/1029958590.db2.gz OLRVPCVZJOIIBV-UHFFFAOYSA-N 0 1 376.504 3.649 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001217554168 1030487463 /nfs/dbraw/zinc/48/74/63/1030487463.db2.gz XBEFZZCTQXJXKI-UHFFFAOYSA-N 0 1 388.282 3.523 20 10 GHCDMN COc1ccc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)c(Cl)c1 ZINC001217553430 1030488210 /nfs/dbraw/zinc/48/82/10/1030488210.db2.gz FSDUAAJFXZVCAR-UHFFFAOYSA-N 0 1 386.747 3.583 20 10 GHCDMN CCC(O)(CC)C(C)(C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001152436551 1031238664 /nfs/dbraw/zinc/23/86/64/1031238664.db2.gz FQLZSCGORFVWSI-UHFFFAOYSA-N 0 1 399.579 3.854 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 ZINC001157436113 1033586983 /nfs/dbraw/zinc/58/69/83/1033586983.db2.gz YZKYADHKKYDLFS-BUVFEPMLSA-N 0 1 396.531 3.681 20 10 GHCDMN CCC[C@H](Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21)[C@H](C)CC ZINC001229772872 1033702463 /nfs/dbraw/zinc/70/24/63/1033702463.db2.gz IOFRFIYDCNLUJK-RNCFNFMXSA-N 0 1 390.388 3.610 20 10 GHCDMN CCCCC[C@H](CC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229774154 1033704302 /nfs/dbraw/zinc/70/43/02/1033704302.db2.gz UBTOGBXTZRVIIY-JTQLQIEISA-N 0 1 390.388 3.754 20 10 GHCDMN COc1cc(CN(C)C2CN(C(=O)OC(C)(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC001206114893 1033725319 /nfs/dbraw/zinc/72/53/19/1033725319.db2.gz CUDMUBYHKORALV-UHFFFAOYSA-N 0 1 378.513 3.749 20 10 GHCDMN CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1[O-] ZINC001276518364 1034222336 /nfs/dbraw/zinc/22/23/36/1034222336.db2.gz OTKDGGJLYDPRCN-HZPDHXFCSA-N 0 1 399.304 3.515 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(c3cc(Cl)nc4[nH]cnc43)CC2)cc1 ZINC001158869811 1034312144 /nfs/dbraw/zinc/31/21/44/1034312144.db2.gz FMNDEGMMGJYMHB-UHFFFAOYSA-N 0 1 397.788 3.837 20 10 GHCDMN O=C([O-])c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c(O)c1 ZINC001231450266 1034594704 /nfs/dbraw/zinc/59/47/04/1034594704.db2.gz CNWKPYQQAUTJFM-JAXLGGSGSA-N 0 1 379.456 3.787 20 10 GHCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)c(O)c1 ZINC001231452293 1034596103 /nfs/dbraw/zinc/59/61/03/1034596103.db2.gz KKQYFKLKTBZGSN-GOSISDBHSA-N 0 1 375.852 3.925 20 10 GHCDMN Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001231589259 1034743453 /nfs/dbraw/zinc/74/34/53/1034743453.db2.gz ZYELEAOLDSKLAK-SBUREZEXSA-N 0 1 394.446 3.892 20 10 GHCDMN COc1cc(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c(O)cc1O ZINC001231638961 1034797200 /nfs/dbraw/zinc/79/72/00/1034797200.db2.gz JATDAXIPLAVSLV-BPUTZDHNSA-N 0 1 377.481 3.581 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cc1Cl ZINC001231868778 1034955237 /nfs/dbraw/zinc/95/52/37/1034955237.db2.gz GKJFGSZJTQPFIV-GOSISDBHSA-N 0 1 384.907 3.850 20 10 GHCDMN O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231880196 1034964659 /nfs/dbraw/zinc/96/46/59/1034964659.db2.gz ILKMDAQEGRTQQS-NRFANRHFSA-N 0 1 387.483 3.579 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001231911542 1034987037 /nfs/dbraw/zinc/98/70/37/1034987037.db2.gz NNDSZWUMDRPTMN-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN CN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001232198284 1035156898 /nfs/dbraw/zinc/15/68/98/1035156898.db2.gz ORODQDQOTUIYEV-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232261245 1037983012 /nfs/dbraw/zinc/98/30/12/1037983012.db2.gz XSWBOPARDAYQRE-UHFFFAOYSA-N 0 1 382.888 3.584 20 10 GHCDMN CC(C)[N@H+](Cc1cc(Cl)c([O-])cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263576 1037984858 /nfs/dbraw/zinc/98/48/58/1037984858.db2.gz RZLNFYKHKORZFI-AWEZNQCLSA-N 0 1 384.904 3.971 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(Cl)c([O-])cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263576 1037984869 /nfs/dbraw/zinc/98/48/69/1037984869.db2.gz RZLNFYKHKORZFI-AWEZNQCLSA-N 0 1 384.904 3.971 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1Cl ZINC001232269873 1037994288 /nfs/dbraw/zinc/99/42/88/1037994288.db2.gz LPRMYLNTRABGCT-IVWMJMPLSA-N 0 1 396.915 3.789 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1Cl ZINC001232269873 1037994294 /nfs/dbraw/zinc/99/42/94/1037994294.db2.gz LPRMYLNTRABGCT-IVWMJMPLSA-N 0 1 396.915 3.789 20 10 GHCDMN COc1cc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)cc1Cl ZINC001232270917 1037995767 /nfs/dbraw/zinc/99/57/67/1037995767.db2.gz MNWZKQUPYXLYKH-IUODEOHRSA-N 0 1 384.904 3.932 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[NH+]3CCC(OC)CC3)c2)nc1C ZINC001232451304 1038234189 /nfs/dbraw/zinc/23/41/89/1038234189.db2.gz KOLZBOHMNIKMIO-UHFFFAOYSA-N 0 1 390.505 3.612 20 10 GHCDMN Oc1cc(I)ccc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001232979113 1038747457 /nfs/dbraw/zinc/74/74/57/1038747457.db2.gz SKDHMBUHOPAGIZ-MRXNPFEDSA-N 0 1 395.240 3.650 20 10 GHCDMN [O-]c1cc(I)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001232979113 1038747464 /nfs/dbraw/zinc/74/74/64/1038747464.db2.gz SKDHMBUHOPAGIZ-MRXNPFEDSA-N 0 1 395.240 3.650 20 10 GHCDMN [O-]c1cc(I)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001232979113 1038747470 /nfs/dbraw/zinc/74/74/70/1038747470.db2.gz SKDHMBUHOPAGIZ-MRXNPFEDSA-N 0 1 395.240 3.650 20 10 GHCDMN [O-]c1cc(I)ccc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232979497 1038747952 /nfs/dbraw/zinc/74/79/52/1038747952.db2.gz ZFMHVWFYQWSYDB-INIZCTEOSA-N 0 1 394.256 3.599 20 10 GHCDMN [O-]c1cc(I)ccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232979497 1038747962 /nfs/dbraw/zinc/74/79/62/1038747962.db2.gz ZFMHVWFYQWSYDB-INIZCTEOSA-N 0 1 394.256 3.599 20 10 GHCDMN [O-]c1c(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)ccc(F)c1F ZINC001233075260 1038838071 /nfs/dbraw/zinc/83/80/71/1038838071.db2.gz UAQYFOBXILLXPQ-UHFFFAOYSA-N 0 1 385.389 3.867 20 10 GHCDMN Cc1cnc(O[C@H]2CCCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC001233111770 1038903194 /nfs/dbraw/zinc/90/31/94/1038903194.db2.gz XBTGFJRWONZZTJ-INIZCTEOSA-N 0 1 392.297 3.605 20 10 GHCDMN COc1cc(O)c(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1Br ZINC001233135196 1038916181 /nfs/dbraw/zinc/91/61/81/1038916181.db2.gz OHSPRKXUANGQRN-NXEZZACHSA-N 0 1 386.183 3.743 20 10 GHCDMN COc1ccccc1CC[N@H+](C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233140658 1038918797 /nfs/dbraw/zinc/91/87/97/1038918797.db2.gz QIHLUDOTDOALEW-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN COc1ccccc1CC[N@@H+](C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233140658 1038918803 /nfs/dbraw/zinc/91/88/03/1038918803.db2.gz QIHLUDOTDOALEW-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1O ZINC001233289841 1039070527 /nfs/dbraw/zinc/07/05/27/1039070527.db2.gz SAVDYFASEZVPET-VIFPVBQESA-N 0 1 391.777 3.836 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233290224 1039072863 /nfs/dbraw/zinc/07/28/63/1039072863.db2.gz POVLFKYYHIUQOW-ZDUSSCGKSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233290224 1039072883 /nfs/dbraw/zinc/07/28/83/1039072883.db2.gz POVLFKYYHIUQOW-ZDUSSCGKSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001233290660 1039073840 /nfs/dbraw/zinc/07/38/40/1039073840.db2.gz PQRUFWZENPQYJU-DOMZBBRYSA-N 0 1 384.904 3.789 20 10 GHCDMN COc1cc(Cl)cc(CN2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001233290754 1039076659 /nfs/dbraw/zinc/07/66/59/1039076659.db2.gz UDPZOMUEGIJFEK-DOMZBBRYSA-N 0 1 384.904 3.789 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c([O-])ccc(F)c3F)CC[C@@H]2C1 ZINC001233332846 1039129330 /nfs/dbraw/zinc/12/93/30/1039129330.db2.gz ZLPBKFLILXSAEE-OKILXGFUSA-N 0 1 382.451 3.749 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233332267 1039129481 /nfs/dbraw/zinc/12/94/81/1039129481.db2.gz FLMVUERJZKAPJB-HXUWFJFHSA-N 0 1 382.451 3.893 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001233332266 1039131380 /nfs/dbraw/zinc/13/13/80/1039131380.db2.gz FLMVUERJZKAPJB-FQEVSTJZSA-N 0 1 382.451 3.893 20 10 GHCDMN [O-]c1c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233417949 1039277871 /nfs/dbraw/zinc/27/78/71/1039277871.db2.gz NPXLGAJCIDQODD-WMZOPIPTSA-N 0 1 392.421 3.749 20 10 GHCDMN [O-]c1c(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)cccc1C(F)(F)F ZINC001233417949 1039277886 /nfs/dbraw/zinc/27/78/86/1039277886.db2.gz NPXLGAJCIDQODD-WMZOPIPTSA-N 0 1 392.421 3.749 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001233419710 1039282232 /nfs/dbraw/zinc/28/22/32/1039282232.db2.gz JKIHTBJZLVQWMZ-JKSUJKDBSA-N 0 1 379.378 3.800 20 10 GHCDMN O=C1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454015 1039344250 /nfs/dbraw/zinc/34/42/50/1039344250.db2.gz CORFXMCHQRUQNB-UHFFFAOYSA-N 0 1 390.405 3.965 20 10 GHCDMN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455777 1039349763 /nfs/dbraw/zinc/34/97/63/1039349763.db2.gz YJLXJSBAPYEHRT-CQSZACIVSA-N 0 1 394.368 3.780 20 10 GHCDMN O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455777 1039349780 /nfs/dbraw/zinc/34/97/80/1039349780.db2.gz YJLXJSBAPYEHRT-CQSZACIVSA-N 0 1 394.368 3.780 20 10 GHCDMN COc1ccc(CC[N@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])cc1OC ZINC001233727190 1039569394 /nfs/dbraw/zinc/56/93/94/1039569394.db2.gz KERGBOCVOBDZQL-UHFFFAOYSA-N 0 1 385.382 3.983 20 10 GHCDMN COc1ccc(CC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])cc1OC ZINC001233727190 1039569410 /nfs/dbraw/zinc/56/94/10/1039569410.db2.gz KERGBOCVOBDZQL-UHFFFAOYSA-N 0 1 385.382 3.983 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c([O-])c1Cl ZINC001277835326 1039890684 /nfs/dbraw/zinc/89/06/84/1039890684.db2.gz XFTWRLBCDNORJU-HXUWFJFHSA-N 0 1 378.900 3.564 20 10 GHCDMN COc1ccc2ccc(O)c(C[NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)c2c1 ZINC001234535683 1040107821 /nfs/dbraw/zinc/10/78/21/1040107821.db2.gz DBDGBCJEYWDUML-UHFFFAOYSA-N 0 1 377.488 3.996 20 10 GHCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@]1(C)CO ZINC001462449115 1070260216 /nfs/dbraw/zinc/26/02/16/1070260216.db2.gz QJVKYTBFBBNXSU-HNAYVOBHSA-N 0 1 381.358 3.890 20 10 GHCDMN O=C(C1CCN(Cc2cc(Br)cc(F)c2O)CC1)C(F)(F)F ZINC001235069146 1040560419 /nfs/dbraw/zinc/56/04/19/1040560419.db2.gz PRGZRJVHXHKICU-UHFFFAOYSA-N 0 1 384.167 3.637 20 10 GHCDMN Cc1cccnc1N1CCC[N@@H+](Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235301400 1040776646 /nfs/dbraw/zinc/77/66/46/1040776646.db2.gz HDFBBHFXZSKQFW-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235304754 1040778660 /nfs/dbraw/zinc/77/86/60/1040778660.db2.gz AJLPVESHEMRODJ-ZDUSSCGKSA-N 0 1 388.277 3.990 20 10 GHCDMN CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)n1 ZINC001255968059 1041448185 /nfs/dbraw/zinc/44/81/85/1041448185.db2.gz ZFEVPJMTERXMIX-BXKDBHETSA-N 0 1 399.278 3.780 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1 ZINC001236665964 1041812879 /nfs/dbraw/zinc/81/28/79/1041812879.db2.gz MFSATQHPGUURFM-MRXNPFEDSA-N 0 1 377.282 3.902 20 10 GHCDMN COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236671483 1041819661 /nfs/dbraw/zinc/81/96/61/1041819661.db2.gz VPHZXMUBDFRGTA-CQSZACIVSA-N 0 1 393.281 3.520 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(OC(F)F)cc1F ZINC001236721302 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COCCC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC001474502135 1074434856 /nfs/dbraw/zinc/43/48/56/1074434856.db2.gz UDKAFNHBHXVBRJ-UHFFFAOYSA-N 0 1 383.261 3.728 20 10 GHCDMN COC(=O)c1cc2ccccc2c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000737678418 600078170 /nfs/dbraw/zinc/07/81/70/600078170.db2.gz RMDIYASOXVOLAN-UHFFFAOYSA-N 0 1 377.396 3.546 20 10 GHCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000739657106 600705197 /nfs/dbraw/zinc/70/51/97/600705197.db2.gz BHZWZJYHVOMTIC-ZDUSSCGKSA-N 0 1 396.306 3.700 20 10 GHCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738530084 600914922 /nfs/dbraw/zinc/91/49/22/600914922.db2.gz CPONJGANKQBQEP-UHFFFAOYSA-N 0 1 395.503 3.754 20 10 GHCDMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000738530084 600914925 /nfs/dbraw/zinc/91/49/25/600914925.db2.gz CPONJGANKQBQEP-UHFFFAOYSA-N 0 1 395.503 3.754 20 10 GHCDMN O=C(CC1CCSCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134266629 834652209 /nfs/dbraw/zinc/65/22/09/834652209.db2.gz IXFFDQGYJWPIPL-QGZVFWFLSA-N 0 1 382.957 3.660 20 10 GHCDMN CCOc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1F ZINC000278334934 834713038 /nfs/dbraw/zinc/71/30/38/834713038.db2.gz VKHDUCJKPDHTFN-LFIBNONCSA-N 0 1 380.510 3.520 20 10 GHCDMN COc1cccc(C[N@@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])c1 ZINC000728194518 835092791 /nfs/dbraw/zinc/09/27/91/835092791.db2.gz MODSIBSXMXEBCU-UHFFFAOYSA-N 0 1 377.440 3.969 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Cl)cn2)C1 ZINC000683450421 837358310 /nfs/dbraw/zinc/35/83/10/837358310.db2.gz IEMYURXKJWRMSR-UHFFFAOYSA-N 0 1 396.922 3.773 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Cl)cn2)C1 ZINC000683450421 837358321 /nfs/dbraw/zinc/35/83/21/837358321.db2.gz IEMYURXKJWRMSR-UHFFFAOYSA-N 0 1 396.922 3.773 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cc(Cl)cc4c3OCC4)SC2=S)CC1 ZINC000782881215 838230932 /nfs/dbraw/zinc/23/09/32/838230932.db2.gz QWGYYJVHDYHBEV-GDNBJRDFSA-N 0 1 394.949 3.570 20 10 GHCDMN CCCCCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC ZINC000728697074 839376462 /nfs/dbraw/zinc/37/64/62/839376462.db2.gz JQQRFHJJIOSXCL-NBVRZTHBSA-N 0 1 380.444 3.726 20 10 GHCDMN Cc1csc(-c2cc(C)nnc2NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167431086 840033640 /nfs/dbraw/zinc/03/36/40/840033640.db2.gz GIPIRDIKWWWIJS-UHFFFAOYSA-N 0 1 394.548 3.581 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000053772830 840703177 /nfs/dbraw/zinc/70/31/77/840703177.db2.gz SQPVGBOXPQPOIY-ZWKOTPCHSA-N 0 1 399.510 3.612 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279108704 841664318 /nfs/dbraw/zinc/66/43/18/841664318.db2.gz WCOKLQIHAKWNFJ-UHFFFAOYSA-N 0 1 378.385 3.911 20 10 GHCDMN COc1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c(O)c1 ZINC000444413547 842844927 /nfs/dbraw/zinc/84/49/27/842844927.db2.gz NUNVEVIRGYDRIE-UHFFFAOYSA-N 0 1 393.487 3.761 20 10 GHCDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000277306214 845647849 /nfs/dbraw/zinc/64/78/49/845647849.db2.gz SFLNMPNRZSQYNK-KKUMJFAQSA-N 0 1 375.492 3.706 20 10 GHCDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000277306221 845647878 /nfs/dbraw/zinc/64/78/78/845647878.db2.gz SFLNMPNRZSQYNK-RRFJBIMHSA-N 0 1 375.492 3.706 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(Br)cc1[O-] ZINC000273400876 847328263 /nfs/dbraw/zinc/32/82/63/847328263.db2.gz NBTRSKZXCUXITM-GFCCVEGCSA-N 0 1 377.282 3.707 20 10 GHCDMN O=C(Nc1ccc(F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731851949 861907386 /nfs/dbraw/zinc/90/73/86/861907386.db2.gz HYJWPMCJNYKNPJ-KRWDZBQOSA-N 0 1 377.847 3.971 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCOc2ccccc2)C1 ZINC000435649471 850738978 /nfs/dbraw/zinc/73/89/78/850738978.db2.gz WFZHQCPYHIZKOS-UHFFFAOYSA-N 0 1 391.515 3.603 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)c1 ZINC000732287443 862192847 /nfs/dbraw/zinc/19/28/47/862192847.db2.gz XABZBUYSCGFGRU-QZTJIDSGSA-N 0 1 396.531 3.921 20 10 GHCDMN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000165144465 854730740 /nfs/dbraw/zinc/73/07/40/854730740.db2.gz GECYEOOVQGQWID-CQSZACIVSA-N 0 1 391.309 3.608 20 10 GHCDMN CC(=O)N1CC[C@H](C[N@H+](C)Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000165144465 854730744 /nfs/dbraw/zinc/73/07/44/854730744.db2.gz GECYEOOVQGQWID-CQSZACIVSA-N 0 1 391.309 3.608 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)c3ccccc3)cc2F)CC1 ZINC000171751344 862724081 /nfs/dbraw/zinc/72/40/81/862724081.db2.gz UXXZPGHBEAZTPZ-SFHVURJKSA-N 0 1 398.526 3.870 20 10 GHCDMN Cc1ccc([C@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1C ZINC000281161302 862878432 /nfs/dbraw/zinc/87/84/32/862878432.db2.gz PDMVIURYYSIEBR-BLLLJJGKSA-N 0 1 377.282 3.649 20 10 GHCDMN C[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766134724 857381492 /nfs/dbraw/zinc/38/14/92/857381492.db2.gz BEUAANLPGLHJTI-AVRDEDQJSA-N 0 1 394.494 3.951 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761199494 859064017 /nfs/dbraw/zinc/06/40/17/859064017.db2.gz PEEJBGVLTALJIR-DOMZBBRYSA-N 0 1 384.904 3.789 20 10 GHCDMN Oc1c(F)c(F)ccc1CN1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000895820975 859983929 /nfs/dbraw/zinc/98/39/29/859983929.db2.gz AYZTUPYRDHTDLD-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cccc4[nH]c(=O)oc43)cc2F)C[C@@H](C)O1 ZINC000921551521 860414515 /nfs/dbraw/zinc/41/45/15/860414515.db2.gz DNVOJBQZSZOOGF-ZIAGYGMSSA-N 0 1 385.439 3.576 20 10 GHCDMN COc1cc(C)cc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1O ZINC000765728158 860484213 /nfs/dbraw/zinc/48/42/13/860484213.db2.gz GDBZAFVWAAPWJW-GOSISDBHSA-N 0 1 379.403 3.884 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cc2F)CC1 ZINC000730134027 860873262 /nfs/dbraw/zinc/87/32/62/860873262.db2.gz KAWUANVCIBRYEU-UHFFFAOYSA-N 0 1 396.510 3.778 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H]3c3ccccc3)cc2F)CC1 ZINC000730133338 860873361 /nfs/dbraw/zinc/87/33/61/860873361.db2.gz OPBPNKNVFUXOLT-OAQYLSRUSA-N 0 1 396.510 3.624 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(Br)ccc1[O-] ZINC000281687032 863325668 /nfs/dbraw/zinc/32/56/68/863325668.db2.gz RVWPRWYZLBMOKJ-LLVKDONJSA-N 0 1 382.327 3.931 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc2ccccc2c1[O-] ZINC000184964772 865081226 /nfs/dbraw/zinc/08/12/26/865081226.db2.gz JTDCSOYTHPRXIO-HNNXBMFYSA-N 0 1 384.501 3.647 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1 ZINC000063824333 865442120 /nfs/dbraw/zinc/44/21/20/865442120.db2.gz KSVPUYBUZVEKRX-UVTDQMKNSA-N 0 1 397.363 3.745 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1F ZINC000738414096 865538621 /nfs/dbraw/zinc/53/86/21/865538621.db2.gz CKWDQHLNNVGRAK-IIBYNOLFSA-N 0 1 387.474 3.907 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@]3(C)CCC(C)=C(C)C3)CC2)cc1 ZINC001124516658 866623046 /nfs/dbraw/zinc/62/30/46/866623046.db2.gz KRNPYSILNVARSD-XMMPIXPASA-N 0 1 399.579 3.850 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)CCCC3CCCC3)CC2)cc1 ZINC000742491426 867321575 /nfs/dbraw/zinc/32/15/75/867321575.db2.gz MLDUDAGXPIFPFL-UHFFFAOYSA-N 0 1 387.568 3.684 20 10 GHCDMN C[N@H+](CCOc1ccccc1)Cc1ccc(I)cc1[O-] ZINC001232978374 867478802 /nfs/dbraw/zinc/47/88/02/867478802.db2.gz FBVCXMYXXZWPDX-UHFFFAOYSA-N 0 1 383.229 3.508 20 10 GHCDMN C[N@@H+](CCOc1ccccc1)Cc1ccc(I)cc1[O-] ZINC001232978374 867478807 /nfs/dbraw/zinc/47/88/07/867478807.db2.gz FBVCXMYXXZWPDX-UHFFFAOYSA-N 0 1 383.229 3.508 20 10 GHCDMN COC(=O)CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CCOCC1 ZINC000743407199 868185221 /nfs/dbraw/zinc/18/52/21/868185221.db2.gz VKBKRFHBTIIOSZ-UHFFFAOYSA-N 0 1 387.476 3.561 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CCOCC1 ZINC000743407199 868185227 /nfs/dbraw/zinc/18/52/27/868185227.db2.gz VKBKRFHBTIIOSZ-UHFFFAOYSA-N 0 1 387.476 3.561 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1cc(F)ccc1F ZINC000743871757 868469906 /nfs/dbraw/zinc/46/99/06/868469906.db2.gz LCVVAQZEFOWEHS-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1cc(F)ccc1F ZINC000743871757 868469911 /nfs/dbraw/zinc/46/99/11/868469911.db2.gz LCVVAQZEFOWEHS-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN Cc1ccc2nc(CNC(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)[nH]c2c1 ZINC000745933504 869894802 /nfs/dbraw/zinc/89/48/02/869894802.db2.gz VMYKZCPSHBTZCA-UHFFFAOYSA-N 0 1 377.492 3.812 20 10 GHCDMN O=C(Nc1nc2[nH]ccc2cc1Br)c1cc(O)c(O)c(Cl)c1 ZINC001193605070 871211779 /nfs/dbraw/zinc/21/17/79/871211779.db2.gz BUBKAGGHFSBVHM-UHFFFAOYSA-N 0 1 382.601 3.594 20 10 GHCDMN O=C(Nc1ccnc(Cl)c1OC(F)(F)F)c1cc(O)c(O)c(Cl)c1 ZINC001193606272 871213218 /nfs/dbraw/zinc/21/32/18/871213218.db2.gz ZECDKEUBBWOJNM-UHFFFAOYSA-N 0 1 383.109 3.951 20 10 GHCDMN O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001169744239 871817192 /nfs/dbraw/zinc/81/71/92/871817192.db2.gz IJHDRIWIVLPGHU-QGZVFWFLSA-N 0 1 389.293 3.549 20 10 GHCDMN CC[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H]1CCOC1 ZINC000775654304 872387009 /nfs/dbraw/zinc/38/70/09/872387009.db2.gz XLEHNKMSWJZGEZ-SNVBAGLBSA-N 0 1 393.119 3.776 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000775680985 872812890 /nfs/dbraw/zinc/81/28/90/872812890.db2.gz LQCBXHNTXDKNMK-SNVBAGLBSA-N 0 1 393.119 3.512 20 10 GHCDMN COc1cc(O)c(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1OC ZINC000768444262 873308767 /nfs/dbraw/zinc/30/87/67/873308767.db2.gz WNMQIBQVHHKLSI-GHMZBOCLSA-N 0 1 387.320 3.972 20 10 GHCDMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769002983 873767322 /nfs/dbraw/zinc/76/73/22/873767322.db2.gz DKMBLRSTGCPRCM-HIFRSBDPSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209455 873891934 /nfs/dbraw/zinc/89/19/34/873891934.db2.gz MBHLECNHHUJMKZ-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209455 873891949 /nfs/dbraw/zinc/89/19/49/873891949.db2.gz MBHLECNHHUJMKZ-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CN(C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000769332268 873973394 /nfs/dbraw/zinc/97/33/94/873973394.db2.gz JOMAEFDJZHINDE-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000769332268 873973403 /nfs/dbraw/zinc/97/34/03/873973403.db2.gz JOMAEFDJZHINDE-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000769424308 874046116 /nfs/dbraw/zinc/04/61/16/874046116.db2.gz LHXOUBMRMFWVNC-QGZVFWFLSA-N 0 1 376.840 3.826 20 10 GHCDMN O=C(c1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)Cc1ccccn1 ZINC001197821857 874078413 /nfs/dbraw/zinc/07/84/13/874078413.db2.gz NXGGDCLBDGRMGG-UHFFFAOYSA-N 0 1 386.860 3.908 20 10 GHCDMN CCOc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c(O)c1 ZINC000769528822 874135301 /nfs/dbraw/zinc/13/53/01/874135301.db2.gz ZQRFAFLHESLVGG-QGZVFWFLSA-N 0 1 380.282 3.719 20 10 GHCDMN Cc1cnc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000769664835 874222144 /nfs/dbraw/zinc/22/21/44/874222144.db2.gz LWBZQBFZYSVYCK-UHFFFAOYSA-N 0 1 383.517 3.916 20 10 GHCDMN CCc1noc([C@@H](C)OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000769665477 874222635 /nfs/dbraw/zinc/22/26/35/874222635.db2.gz SNTCNORNSXTEPG-OAHLLOKOSA-N 0 1 396.491 3.658 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3csc(C(F)(F)F)c3)cc2)C1 ZINC000858104607 882849958 /nfs/dbraw/zinc/84/99/58/882849958.db2.gz QZRAOFUZRYFOLX-HNNXBMFYSA-N 0 1 397.466 3.758 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)cc1OC ZINC000776007606 875118447 /nfs/dbraw/zinc/11/84/47/875118447.db2.gz ONONZIAHPWGPEW-PVAVHDDUSA-N 0 1 391.508 3.884 20 10 GHCDMN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771520289 875309572 /nfs/dbraw/zinc/30/95/72/875309572.db2.gz IRXJHERBSGXZDX-HXUWFJFHSA-N 0 1 384.911 3.678 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC001201529260 875747477 /nfs/dbraw/zinc/74/74/77/875747477.db2.gz HOIITBCTHQZBLA-UHFFFAOYSA-N 0 1 391.187 3.737 20 10 GHCDMN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC001202049875 875978758 /nfs/dbraw/zinc/97/87/58/875978758.db2.gz GRQBKDIRPMBXIR-STQMWFEESA-N 0 1 385.302 3.501 20 10 GHCDMN Cn1ncc(C2CCC2)c1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850391629 876874880 /nfs/dbraw/zinc/87/48/80/876874880.db2.gz VXSFQADUMWPNAC-UHFFFAOYSA-N 0 1 383.496 3.876 20 10 GHCDMN COC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccc(OC)c1 ZINC000850514055 876984489 /nfs/dbraw/zinc/98/44/89/876984489.db2.gz LEGCIHHUZHWKPH-HRAATJIYSA-N 0 1 388.483 3.709 20 10 GHCDMN CCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(C)C1 ZINC000850582003 877055780 /nfs/dbraw/zinc/05/57/80/877055780.db2.gz AWAPBMCVLNCEKH-LJQANCHMSA-N 0 1 379.464 3.593 20 10 GHCDMN Cc1sccc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787131335 877180387 /nfs/dbraw/zinc/18/03/87/877180387.db2.gz MZYVLNABYXDPMV-QGZVFWFLSA-N 0 1 378.925 3.739 20 10 GHCDMN c1nc2cc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)ccc2[nH]1 ZINC001137049826 877548485 /nfs/dbraw/zinc/54/84/85/877548485.db2.gz CBBITCIFIOVSKN-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000787684974 877556066 /nfs/dbraw/zinc/55/60/66/877556066.db2.gz CBRWURKNNCENOP-RTBURBONSA-N 0 1 378.394 3.547 20 10 GHCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000795687845 912399700 /nfs/dbraw/zinc/39/97/00/912399700.db2.gz LHTIUJKVRKKALR-IBGZPJMESA-N 0 1 397.393 3.945 20 10 GHCDMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000795687845 912399721 /nfs/dbraw/zinc/39/97/21/912399721.db2.gz LHTIUJKVRKKALR-IBGZPJMESA-N 0 1 397.393 3.945 20 10 GHCDMN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1c(F)ccc(O)c1O ZINC000789977953 879374791 /nfs/dbraw/zinc/37/47/91/879374791.db2.gz DVJYDDAABKXOHA-NDEPHWFRSA-N 0 1 399.443 3.938 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203564810 912458958 /nfs/dbraw/zinc/45/89/58/912458958.db2.gz QBOUBQILIZKTEI-JWYUURKGSA-N 0 1 379.067 3.707 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093841941 912468235 /nfs/dbraw/zinc/46/82/35/912468235.db2.gz NSQPUVCVMWKBJC-KRWDZBQOSA-N 0 1 384.314 3.705 20 10 GHCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000790345677 879615265 /nfs/dbraw/zinc/61/52/65/879615265.db2.gz APWHYDJUVKLXAU-UHFFFAOYSA-N 0 1 377.315 3.554 20 10 GHCDMN CCN(CC)c1ccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000791002725 880127499 /nfs/dbraw/zinc/12/74/99/880127499.db2.gz QGAJKKBOUDQMJV-FQEVSTJZSA-N 0 1 387.474 3.702 20 10 GHCDMN CC[NH+](CC)CCNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790976051 880137560 /nfs/dbraw/zinc/13/75/60/880137560.db2.gz ALECCFHCAZXBGX-UHFFFAOYSA-N 0 1 393.890 3.868 20 10 GHCDMN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000776807540 880449914 /nfs/dbraw/zinc/44/99/14/880449914.db2.gz JFZWUPWDGOVWBX-STQMWFEESA-N 0 1 385.302 3.501 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H](c3ncc[nH]3)C3CCCCC3)cc2F)CC1 ZINC000286195659 912620743 /nfs/dbraw/zinc/62/07/43/912620743.db2.gz RLTDYPIXBMNYHV-NRFANRHFSA-N 0 1 386.515 3.921 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1 ZINC000127406778 881049643 /nfs/dbraw/zinc/04/96/43/881049643.db2.gz DCZBHXSMNMTJBL-UHFFFAOYSA-N 0 1 376.459 3.628 20 10 GHCDMN CC[C@@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000858585501 883214970 /nfs/dbraw/zinc/21/49/70/883214970.db2.gz JAMKOTJVWCUNFB-CQSZACIVSA-N 0 1 393.413 3.708 20 10 GHCDMN COc1cccc([C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)OC)c1 ZINC000858654423 883259505 /nfs/dbraw/zinc/25/95/05/883259505.db2.gz OACNKKBGOWZYJR-INIZCTEOSA-N 0 1 399.274 3.895 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)CSc2n[nH]c(=S)s2)cc1F ZINC000175142028 883332087 /nfs/dbraw/zinc/33/20/87/883332087.db2.gz RHLYILHKVYSKBF-UHFFFAOYSA-N 0 1 386.543 3.594 20 10 GHCDMN CN(c1ccc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000760205258 883428299 /nfs/dbraw/zinc/42/82/99/883428299.db2.gz RUOFJPFYSDATRR-UHFFFAOYSA-N 0 1 399.457 3.529 20 10 GHCDMN CC(C)(C)OC(=O)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805167972 883649310 /nfs/dbraw/zinc/64/93/10/883649310.db2.gz RQZUSYYASMYHFV-UHFFFAOYSA-N 0 1 377.268 3.620 20 10 GHCDMN Cc1c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000805337687 883765539 /nfs/dbraw/zinc/76/55/39/883765539.db2.gz QYFHPEMXZMSTPV-UHFFFAOYSA-N 0 1 384.219 3.915 20 10 GHCDMN CC(C)OC(=O)CC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805401399 883792220 /nfs/dbraw/zinc/79/22/20/883792220.db2.gz FMOMSRSBATZQDH-SNVBAGLBSA-N 0 1 377.268 3.619 20 10 GHCDMN O=C1N(CC(F)F)CC[C@]12CCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237211 912785292 /nfs/dbraw/zinc/78/52/92/912785292.db2.gz WCGYJWGNAZFLPH-MRXNPFEDSA-N 0 1 379.234 3.531 20 10 GHCDMN O=C1N(CC(F)F)CC[C@]12CCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237211 912785303 /nfs/dbraw/zinc/78/53/03/912785303.db2.gz WCGYJWGNAZFLPH-MRXNPFEDSA-N 0 1 379.234 3.531 20 10 GHCDMN CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275237797 912787605 /nfs/dbraw/zinc/78/76/05/912787605.db2.gz ZXOPWXCGUSSHGA-HXPMCKFVSA-N 0 1 399.318 3.839 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)CN1c1ccc(F)c(F)c1 ZINC001142520548 884478536 /nfs/dbraw/zinc/47/85/36/884478536.db2.gz LJPRCBOZMKPZNC-HXUWFJFHSA-N 0 1 394.368 3.578 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1Cc1ccccn1 ZINC000806372361 884648900 /nfs/dbraw/zinc/64/89/00/884648900.db2.gz ICUKUYJVVSWSIA-UHFFFAOYSA-N 0 1 392.246 3.661 20 10 GHCDMN C[S@@](=O)Cc1ccccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806420364 884657034 /nfs/dbraw/zinc/65/70/34/884657034.db2.gz KOPBHPOQQQUAMP-XMMPIXPASA-N 0 1 387.288 3.899 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(OC2COC2)cc1 ZINC000806447022 884714699 /nfs/dbraw/zinc/71/46/99/884714699.db2.gz PZKQEKRFPHJECE-UHFFFAOYSA-N 0 1 383.231 3.798 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)CC3CCC3)CC2)cc1 ZINC001183932614 912891760 /nfs/dbraw/zinc/89/17/60/912891760.db2.gz ZTWCMOZLGMESCK-UHFFFAOYSA-N 0 1 387.568 3.540 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000013461777 885138383 /nfs/dbraw/zinc/13/83/83/885138383.db2.gz QLBOEHNQLDBVAG-WEVVVXLNSA-N 0 1 399.422 3.544 20 10 GHCDMN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000795851618 912909387 /nfs/dbraw/zinc/90/93/87/912909387.db2.gz KWJDFFDYDYRWBA-BLLLJJGKSA-N 0 1 377.282 3.683 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2scnc2c1 ZINC000807511259 885496717 /nfs/dbraw/zinc/49/67/17/885496717.db2.gz JIKMICABALXPAZ-UHFFFAOYSA-N 0 1 396.255 3.564 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)N1CCc2c1cccc2Cl ZINC000807512692 885498331 /nfs/dbraw/zinc/49/83/31/885498331.db2.gz DUWVUEWYNMOMKD-UHFFFAOYSA-N 0 1 399.661 3.558 20 10 GHCDMN COc1cccc(C2=NO[C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1 ZINC000807839979 885771231 /nfs/dbraw/zinc/77/12/31/885771231.db2.gz OGWYGFNIRVVCES-MRXNPFEDSA-N 0 1 395.242 3.517 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1noc(-c2cccc(F)c2)n1 ZINC000807840981 885773680 /nfs/dbraw/zinc/77/36/80/885773680.db2.gz OWCIKVIXLUDHMX-UHFFFAOYSA-N 0 1 382.178 3.818 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000807833869 885798799 /nfs/dbraw/zinc/79/87/99/885798799.db2.gz GYIKINOHZRVLSE-SECBINFHSA-N 0 1 385.213 3.590 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncc(F)c1 ZINC000163405901 885802897 /nfs/dbraw/zinc/80/28/97/885802897.db2.gz GVIYOHTXCWBBJH-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000862023522 886060446 /nfs/dbraw/zinc/06/04/46/886060446.db2.gz ABVXVIKVKCGFLC-PGRDOPGGSA-N 0 1 395.547 3.993 20 10 GHCDMN CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862236838 886237233 /nfs/dbraw/zinc/23/72/33/886237233.db2.gz DXHRUXVRSFOHIX-ZDUSSCGKSA-N 0 1 383.330 3.527 20 10 GHCDMN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000119071357 886579454 /nfs/dbraw/zinc/57/94/54/886579454.db2.gz FXLGAAKTOYUUPG-MRXNPFEDSA-N 0 1 383.540 3.917 20 10 GHCDMN Cc1cc(CNC(=O)CCSc2nnc(C)[nH]2)c(C)n1-c1cccc(C)c1 ZINC000863162149 886898074 /nfs/dbraw/zinc/89/80/74/886898074.db2.gz VRXAWHZQZIEHIU-UHFFFAOYSA-N 0 1 383.521 3.628 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc([S@@](=O)C(F)(F)F)cc3)cc2)CC1 ZINC000864007829 887516333 /nfs/dbraw/zinc/51/63/33/887516333.db2.gz VZOLEZQVJZOCIB-HHHXNRCGSA-N 0 1 397.466 3.678 20 10 GHCDMN CCCCNS(=O)(=O)c1ccc(C)c(NCc2ccc(F)c(F)c2O)c1 ZINC000864037780 887528556 /nfs/dbraw/zinc/52/85/56/887528556.db2.gz VROHIDWVILPJIJ-UHFFFAOYSA-N 0 1 384.448 3.669 20 10 GHCDMN COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809712584 887731736 /nfs/dbraw/zinc/73/17/36/887731736.db2.gz AQJKOQPMKXLRIC-GFCCVEGCSA-N 0 1 393.281 3.670 20 10 GHCDMN CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809723779 887749209 /nfs/dbraw/zinc/74/92/09/887749209.db2.gz ORTWJHUECTZPDB-AWEZNQCLSA-N 0 1 385.302 3.598 20 10 GHCDMN CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3c([O-])cccc3Cl)c2)n1 ZINC000809762432 887802751 /nfs/dbraw/zinc/80/27/51/887802751.db2.gz NZPGEQCVLQUEOM-UHFFFAOYSA-N 0 1 385.851 3.698 20 10 GHCDMN CN1CCC([N@@H+](Cc2ccco2)Cc2cccc(Br)c2[O-])CC1 ZINC000809766582 887806933 /nfs/dbraw/zinc/80/69/33/887806933.db2.gz QFIZJQCTDXQGDY-UHFFFAOYSA-N 0 1 379.298 3.844 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cnc(Cl)c(F)c3)cc2F)C[C@H](C)O1 ZINC000865418958 888336699 /nfs/dbraw/zinc/33/66/99/888336699.db2.gz QISRSKKWEDJDPJ-STQMWFEESA-N 0 1 381.854 3.917 20 10 GHCDMN O=C(NCCO)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000811839212 890025140 /nfs/dbraw/zinc/02/51/40/890025140.db2.gz SKMQZXOKODLYPD-UHFFFAOYSA-N 0 1 389.666 3.687 20 10 GHCDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000795092552 890043657 /nfs/dbraw/zinc/04/36/57/890043657.db2.gz HNBPDYZLIRSBJD-OAHLLOKOSA-N 0 1 393.875 3.555 20 10 GHCDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000795092552 890043675 /nfs/dbraw/zinc/04/36/75/890043675.db2.gz HNBPDYZLIRSBJD-OAHLLOKOSA-N 0 1 393.875 3.555 20 10 GHCDMN COc1ccc(F)cc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000812746912 890929038 /nfs/dbraw/zinc/92/90/38/890929038.db2.gz LRCDLWDWNUBERG-GASCZTMLSA-N 0 1 376.447 3.877 20 10 GHCDMN CCCC(=O)Nc1cccc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873014190 891428386 /nfs/dbraw/zinc/42/83/86/891428386.db2.gz NWOPOBMHHFJKTD-UHFFFAOYSA-N 0 1 392.503 3.968 20 10 GHCDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685388 891875344 /nfs/dbraw/zinc/87/53/44/891875344.db2.gz XHSHKMUACXDXCP-UHFFFAOYSA-N 0 1 384.219 3.603 20 10 GHCDMN Cc1nnc(-c2ccccc2C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000813686051 891876525 /nfs/dbraw/zinc/87/65/25/891876525.db2.gz WYWFZGWDCDRDGI-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Cc3coc4ccccc34)cc2F)CC1 ZINC000796230097 913801078 /nfs/dbraw/zinc/80/10/78/913801078.db2.gz BNDAKJVRMIETJB-UHFFFAOYSA-N 0 1 395.478 3.573 20 10 GHCDMN COc1cc(O)c(CNCc2cc(C(F)(F)F)cc(Cl)n2)cc1OC ZINC000877806103 893818159 /nfs/dbraw/zinc/81/81/59/893818159.db2.gz DRSREMAWVPNVFM-UHFFFAOYSA-N 0 1 376.762 3.766 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816483939 894852557 /nfs/dbraw/zinc/85/25/57/894852557.db2.gz KYWRRYTXCBZGLT-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1cc(Br)ccc1[O-] ZINC000816519545 894877004 /nfs/dbraw/zinc/87/70/04/894877004.db2.gz NGDPOBYONOKNHU-UHFFFAOYSA-N 0 1 391.265 3.508 20 10 GHCDMN CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1cc(Br)ccc1[O-] ZINC000816519545 894877009 /nfs/dbraw/zinc/87/70/09/894877009.db2.gz NGDPOBYONOKNHU-UHFFFAOYSA-N 0 1 391.265 3.508 20 10 GHCDMN [O-]c1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)ccc2ccccc21 ZINC000816509446 894887303 /nfs/dbraw/zinc/88/73/03/894887303.db2.gz PZFICJDXUWRAAQ-UHFFFAOYSA-N 0 1 376.485 3.872 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@@H](c3ccn(C)n3)c3ccc(F)cc3)C2)cc1 ZINC000818341831 896121045 /nfs/dbraw/zinc/12/10/45/896121045.db2.gz HIYMDNXNJNDVAE-UZUQRXQVSA-N 0 1 394.494 3.773 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1[O-] ZINC000883263312 897417544 /nfs/dbraw/zinc/41/75/44/897417544.db2.gz PGBNHGOHNHVLFQ-ZFWWWQNUSA-N 0 1 384.314 3.781 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccccc4)CC3)c2c1 ZINC000042911516 898010261 /nfs/dbraw/zinc/01/02/61/898010261.db2.gz WZEPCUWNHCIMSW-UHFFFAOYSA-N 0 1 376.456 3.512 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cc2cccnc2o1 ZINC000823666947 899176863 /nfs/dbraw/zinc/17/68/63/899176863.db2.gz WJSNWYXTBBRGOR-UHFFFAOYSA-N 0 1 391.393 3.973 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124186 899993691 /nfs/dbraw/zinc/99/36/91/899993691.db2.gz JSNZQHKOPFLFGE-VQIMIIECSA-N 0 1 381.394 3.716 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1Cl ZINC000825125616 899995402 /nfs/dbraw/zinc/99/54/02/899995402.db2.gz MEOXDLUTTVBQEB-AWEZNQCLSA-N 0 1 388.895 3.862 20 10 GHCDMN COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825190763 900038923 /nfs/dbraw/zinc/03/89/23/900038923.db2.gz OQPLJMXHLVAZQR-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428337 900137943 /nfs/dbraw/zinc/13/79/43/900137943.db2.gz JYWRURMUJYKNNZ-LLVKDONJSA-N 0 1 375.835 3.948 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCc2cnc(C3CC3)nc2C1 ZINC001144307977 901701650 /nfs/dbraw/zinc/70/16/50/901701650.db2.gz FAFJPIWWVYBWSF-UHFFFAOYSA-N 0 1 378.245 3.520 20 10 GHCDMN COc1ccc(N2CCN(Cc3c[nH]c4nc(Cl)ccc34)CC2)c(OC)c1 ZINC001144418532 902119354 /nfs/dbraw/zinc/11/93/54/902119354.db2.gz GDVYBJULHOCQQR-UHFFFAOYSA-N 0 1 386.883 3.556 20 10 GHCDMN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000846054494 902640997 /nfs/dbraw/zinc/64/09/97/902640997.db2.gz CNLNKNZIJQTCPO-GFCCVEGCSA-N 0 1 378.856 3.570 20 10 GHCDMN CC[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846108185 902685736 /nfs/dbraw/zinc/68/57/36/902685736.db2.gz WVMQENMWGUJYGV-HNNXBMFYSA-N 0 1 377.366 3.660 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846215085 902790261 /nfs/dbraw/zinc/79/02/61/902790261.db2.gz KCTPPTBUURSYSB-HOTGVXAUSA-N 0 1 391.309 3.972 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846216928 902792883 /nfs/dbraw/zinc/79/28/83/902792883.db2.gz YCXQIBAIYBNTET-ABAIWWIYSA-N 0 1 377.282 3.582 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc3c(cn2)CCC3)C1 ZINC000578256742 903659360 /nfs/dbraw/zinc/65/93/60/903659360.db2.gz RXYGVUJSPGHTGI-UHFFFAOYSA-N 0 1 388.515 3.930 20 10 GHCDMN COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(OC)c1 ZINC000151543915 904153455 /nfs/dbraw/zinc/15/34/55/904153455.db2.gz LLVRWLUXQZHULJ-HNNXBMFYSA-N 0 1 388.483 3.655 20 10 GHCDMN C[C@@H](NCc1cccnc1OCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000179522764 906519312 /nfs/dbraw/zinc/51/93/12/906519312.db2.gz ODSAGEHNRGVASK-CQSZACIVSA-N 0 1 395.425 3.552 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000192516338 907709132 /nfs/dbraw/zinc/70/91/32/907709132.db2.gz FOZRPPGNNFTWAM-QHCPKHFHSA-N 0 1 394.515 3.546 20 10 GHCDMN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000186049372 907871219 /nfs/dbraw/zinc/87/12/19/907871219.db2.gz HZWBTOPJAKGMMW-LBPRGKRZSA-N 0 1 394.265 3.557 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H]3CCc4c3c(F)ccc4F)cc2F)CC1 ZINC000269835993 910364622 /nfs/dbraw/zinc/36/46/22/910364622.db2.gz ASBJENAUNPHZEB-LJQANCHMSA-N 0 1 376.422 3.842 20 10 GHCDMN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC001181072443 910545572 /nfs/dbraw/zinc/54/55/72/910545572.db2.gz HXOMGWMUPIHTRF-SNVBAGLBSA-N 0 1 376.600 3.553 20 10 GHCDMN CC(C)N(Cc1cc(F)c(N(C)C)cc1F)C[C@@H](O)COc1ccccc1 ZINC001181267937 910668118 /nfs/dbraw/zinc/66/81/18/910668118.db2.gz WXHNCOABJDRBGV-QGZVFWFLSA-N 0 1 378.463 3.681 20 10 GHCDMN COc1cc(Br)cc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000092436333 911532766 /nfs/dbraw/zinc/53/27/66/911532766.db2.gz UQZKIOURXBCWPY-INIZCTEOSA-N 0 1 396.281 3.938 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092731123 911757278 /nfs/dbraw/zinc/75/72/78/911757278.db2.gz FRGVSWAOCXIFLO-HIFRSBDPSA-N 0 1 383.330 3.672 20 10 GHCDMN C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(Br)c1[O-] ZINC000093012627 912009864 /nfs/dbraw/zinc/00/98/64/912009864.db2.gz ATHKCSAGSHDHSK-UHFFFAOYSA-N 0 1 385.208 3.503 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CN[C@H](c3nnc[nH]3)c3cccnc3)cc2Cl)C1 ZINC000284865073 912059421 /nfs/dbraw/zinc/05/94/21/912059421.db2.gz ASEUEEWJPXEAQW-YWZLYKJASA-N 0 1 396.926 3.969 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Cc1[nH]nc2ccc(O)cc21 ZINC001187253573 915163784 /nfs/dbraw/zinc/16/37/84/915163784.db2.gz IORROKLKFGCEFN-OAQYLSRUSA-N 0 1 379.460 3.573 20 10 GHCDMN CC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001189236294 916485760 /nfs/dbraw/zinc/48/57/60/916485760.db2.gz XLJYRBKMCCJZQJ-UHFFFAOYSA-N 0 1 377.421 3.901 20 10 GHCDMN CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257012 916665999 /nfs/dbraw/zinc/66/59/99/916665999.db2.gz CSZUCCYAWNNHCI-QGZVFWFLSA-N 0 1 382.504 3.975 20 10 GHCDMN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000775258315 916693260 /nfs/dbraw/zinc/69/32/60/916693260.db2.gz XDUKRJDBKWEOTN-AWEZNQCLSA-N 0 1 375.856 3.936 20 10 GHCDMN COC1CCN(c2ccc(CN[C@H](C[S@](C)=O)c3ccccc3)cc2)CC1 ZINC000294903762 917042893 /nfs/dbraw/zinc/04/28/93/917042893.db2.gz FCZNQOIEFKHWFQ-AMGIVPHBSA-N 0 1 386.561 3.511 20 10 GHCDMN COc1ccc(CN(CCO)Cc2ccc(N3CCCCC3)c(C)c2)c(OC)c1 ZINC001190854727 917604687 /nfs/dbraw/zinc/60/46/87/917604687.db2.gz KEAHZERZULEOOC-UHFFFAOYSA-N 0 1 398.547 3.997 20 10 GHCDMN CCc1nc([C@@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n[nH]1 ZINC001190934227 917648039 /nfs/dbraw/zinc/64/80/39/917648039.db2.gz LQAJZARGXDEHRJ-CQSZACIVSA-N 0 1 385.512 3.906 20 10 GHCDMN CCc1nc([C@H](C)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n[nH]1 ZINC001190934226 917648562 /nfs/dbraw/zinc/64/85/62/917648562.db2.gz LQAJZARGXDEHRJ-AWEZNQCLSA-N 0 1 385.512 3.906 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000775489139 918258608 /nfs/dbraw/zinc/25/86/08/918258608.db2.gz NIGNGNCNMOVMDB-WMLDXEAASA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000800993798 920674234 /nfs/dbraw/zinc/67/42/34/920674234.db2.gz NLFWUBIGQNSXHN-QFBILLFUSA-N 0 1 388.895 3.766 20 10 GHCDMN CC[C@H](C)CN(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000748626007 923752135 /nfs/dbraw/zinc/75/21/35/923752135.db2.gz BAZJMJAIXKEHAW-KRWDZBQOSA-N 0 1 378.536 3.545 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCSCC2 ZINC000827095870 924737815 /nfs/dbraw/zinc/73/78/15/924737815.db2.gz MRIZXHPVUDTBQW-SJORKVTESA-N 0 1 394.968 3.660 20 10 GHCDMN Cc1ccc2n[nH]cc2c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440305 925796536 /nfs/dbraw/zinc/79/65/36/925796536.db2.gz SKAUUWBDOPYFTR-INIZCTEOSA-N 0 1 398.894 3.625 20 10 GHCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000389801521 926388481 /nfs/dbraw/zinc/38/84/81/926388481.db2.gz CHFRBTNLJSEWGZ-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C/C=C\c3cccc(F)c3)cc2F)CC1 ZINC000749382854 927081705 /nfs/dbraw/zinc/08/17/05/927081705.db2.gz SGKOTQNDBRIQNC-XQRVVYSFSA-N 0 1 399.485 3.826 20 10 GHCDMN COC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000749843163 927308917 /nfs/dbraw/zinc/30/89/17/927308917.db2.gz AGHNWEZIJSDYIQ-UHFFFAOYSA-N 0 1 398.503 3.895 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750823890 927875925 /nfs/dbraw/zinc/87/59/25/927875925.db2.gz YDNIMCFQEJQXBD-OAHLLOKOSA-N 0 1 394.487 3.813 20 10 GHCDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(O)cc(Cl)cc1Cl ZINC000751064945 928010508 /nfs/dbraw/zinc/01/05/08/928010508.db2.gz ZZVAALCMNOGIKX-UHFFFAOYSA-N 0 1 399.249 3.605 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCOC[C@H](C)C2)c(=O)c1-c1ccccc1 ZINC000753986337 929622920 /nfs/dbraw/zinc/62/29/20/929622920.db2.gz MLKGTFDHFRZRFO-OAHLLOKOSA-N 0 1 379.456 3.942 20 10 GHCDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000757867508 929831945 /nfs/dbraw/zinc/83/19/45/929831945.db2.gz GWANDLFUBHIEAL-MGPUTAFESA-N 0 1 391.475 3.639 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(F)c4cccnc34)SC2=S)CC1 ZINC000759119397 930280166 /nfs/dbraw/zinc/28/01/66/930280166.db2.gz ZCALQHHOPSOUQM-LFIBNONCSA-N 0 1 387.505 3.669 20 10 GHCDMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905295 931021326 /nfs/dbraw/zinc/02/13/26/931021326.db2.gz MKPZBAHBQHMCGT-CQSZACIVSA-N 0 1 383.330 3.591 20 10 GHCDMN CN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000781914759 931027458 /nfs/dbraw/zinc/02/74/58/931027458.db2.gz ZVYHATKHIZCXOC-UHFFFAOYSA-N 0 1 383.511 3.906 20 10 GHCDMN CC(=O)c1cc(F)cc(CN[C@H](CCO)c2ccccc2Br)c1O ZINC000782103765 931090640 /nfs/dbraw/zinc/09/06/40/931090640.db2.gz URTMNNXUTMVTOR-QGZVFWFLSA-N 0 1 396.256 3.710 20 10 GHCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000924706623 931480956 /nfs/dbraw/zinc/48/09/56/931480956.db2.gz QTRJGMVTDDUCLA-LBPRGKRZSA-N 0 1 383.414 3.998 20 10 GHCDMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000925162720 931686045 /nfs/dbraw/zinc/68/60/45/931686045.db2.gz WQGRPEMPYMORBD-HUUCEWRRSA-N 0 1 379.455 3.780 20 10 GHCDMN CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cc(Br)ccc1[O-] ZINC000797090868 932178277 /nfs/dbraw/zinc/17/82/77/932178277.db2.gz ROIIFNHXXCCBII-HNNXBMFYSA-N 0 1 385.302 3.674 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1[O-] ZINC000797605547 932342308 /nfs/dbraw/zinc/34/23/08/932342308.db2.gz QGSZTJDXTFTCLH-UHFFFAOYSA-N 0 1 398.850 3.989 20 10 GHCDMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Br)ccc1O ZINC000799125788 932883195 /nfs/dbraw/zinc/88/31/95/932883195.db2.gz SSSVBNCDCOMCMO-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN O=C(Nc1c2nonc2ccc1Cl)c1cc(COc2ccccc2F)on1 ZINC001117507082 933947059 /nfs/dbraw/zinc/94/70/59/933947059.db2.gz AMVJZWPIFYHDNR-UHFFFAOYSA-N 0 1 388.742 3.835 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC001117756803 934008109 /nfs/dbraw/zinc/00/81/09/934008109.db2.gz KPUVENBRVMBLNU-UZLBHIALSA-N 0 1 387.911 3.826 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC001118382818 934151357 /nfs/dbraw/zinc/15/13/57/934151357.db2.gz QUTPPJDQPWNXEV-QGZVFWFLSA-N 0 1 399.882 3.647 20 10 GHCDMN CCc1noc(C)c1CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000561507137 934223769 /nfs/dbraw/zinc/22/37/69/934223769.db2.gz KXVLVCKOBTXSHS-UHFFFAOYSA-N 0 1 394.519 3.583 20 10 GHCDMN Nc1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001120677111 934490971 /nfs/dbraw/zinc/49/09/71/934490971.db2.gz JVQGAOMLJZIZOA-KRWDZBQOSA-N 0 1 382.512 3.524 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@@H](Oc4ncccc4F)C3)cc2)CC1 ZINC000829306462 935792528 /nfs/dbraw/zinc/79/25/28/935792528.db2.gz YDAGCJZJWFFWLV-OAQYLSRUSA-N 0 1 399.510 3.879 20 10 GHCDMN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137832949 935812687 /nfs/dbraw/zinc/81/26/87/935812687.db2.gz NCINOBQGUGTULB-ZBFHGGJFSA-N 0 1 381.426 3.843 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001137836293 935815588 /nfs/dbraw/zinc/81/55/88/935815588.db2.gz XYUYXEZAIIFONV-VXKWHMMOSA-N 0 1 386.467 3.514 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594269909 959790019 /nfs/dbraw/zinc/79/00/19/959790019.db2.gz DLNGTNQVFCCPTE-OAHLLOKOSA-N 0 1 376.250 3.647 20 10 GHCDMN Cc1cc(Br)c(O)c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594269909 959790036 /nfs/dbraw/zinc/79/00/36/959790036.db2.gz DLNGTNQVFCCPTE-OAHLLOKOSA-N 0 1 376.250 3.647 20 10 GHCDMN CC[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccc(N(C)C)cc1 ZINC001603747613 974191063 /nfs/dbraw/zinc/19/10/63/974191063.db2.gz ZITXERVWAHTZAM-SFHVURJKSA-N 0 1 385.508 3.669 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC001599583832 993586791 /nfs/dbraw/zinc/58/67/91/993586791.db2.gz DMGUHELRXUIREO-GOSISDBHSA-N 0 1 396.409 3.908 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(OCc2ccc(C)cc2OC(C)C)c1O ZINC001227623727 1032489943 /nfs/dbraw/zinc/48/99/43/1032489943.db2.gz VMTWUSCHJDDDIQ-UHFFFAOYSA-N 0 1 394.445 3.702 20 10 GHCDMN CCC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C(C)(C)C ZINC001221805350 1032540569 /nfs/dbraw/zinc/54/05/69/1032540569.db2.gz SJKIOHPETKTQTN-FQEVSTJZSA-N 0 1 392.563 3.982 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)C(C)(C)C3)cc2F)CC1 ZINC001221805302 1032540796 /nfs/dbraw/zinc/54/07/96/1032540796.db2.gz RBSIRZRNVWBSTH-QGZVFWFLSA-N 0 1 390.547 3.545 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@H](OCc3ccccc3)C2)c1O ZINC001204338215 1032779897 /nfs/dbraw/zinc/77/98/97/1032779897.db2.gz ACFOIOGVYGUMCN-KRWDZBQOSA-N 0 1 392.293 3.954 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(Oc3cccnc3)CC2)c1O ZINC001204338737 1032781413 /nfs/dbraw/zinc/78/14/13/1032781413.db2.gz NJOIRDQZFVFPJO-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN C[C@@H](Cc1ccccc1)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228519659 1032968421 /nfs/dbraw/zinc/96/84/21/1032968421.db2.gz QRECZQVUZIHKJA-ZDUSSCGKSA-N 0 1 380.396 3.750 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCOc2ccccc21 ZINC001228520248 1032968441 /nfs/dbraw/zinc/96/84/41/1032968441.db2.gz XKVLBWSJFAUPTP-IBGZPJMESA-N 0 1 394.379 3.643 20 10 GHCDMN C[C@@H]1C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2nccn21 ZINC000834737484 1021422136 /nfs/dbraw/zinc/42/21/36/1021422136.db2.gz TWTCCEXBFXALAY-MNEFBYGVSA-N 0 1 399.539 3.811 20 10 GHCDMN CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1[O-] ZINC000834841751 1021540562 /nfs/dbraw/zinc/54/05/62/1021540562.db2.gz ZPLOIUOLSZWPHJ-CQSZACIVSA-N 0 1 385.689 3.711 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(=O)NCCc1ccccc1 ZINC000834896268 1021642632 /nfs/dbraw/zinc/64/26/32/1021642632.db2.gz JFCWHKCSSWHWJE-KBPBESRZSA-N 0 1 391.309 3.553 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000834903640 1021652222 /nfs/dbraw/zinc/65/22/22/1021652222.db2.gz JUHOWEKCGNZTME-DZGCQCFKSA-N 0 1 384.904 3.722 20 10 GHCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000834910609 1021669598 /nfs/dbraw/zinc/66/95/98/1021669598.db2.gz ILKUBOCSHUWQIC-JQWIXIFHSA-N 0 1 378.270 3.536 20 10 GHCDMN COc1ccc(C2=CC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140667443 1022218850 /nfs/dbraw/zinc/21/88/50/1022218850.db2.gz SRVYVQASNDNVBG-UHFFFAOYSA-N 0 1 382.479 3.960 20 10 GHCDMN COc1ccc(C2=CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140667443 1022218874 /nfs/dbraw/zinc/21/88/74/1022218874.db2.gz SRVYVQASNDNVBG-UHFFFAOYSA-N 0 1 382.479 3.960 20 10 GHCDMN Cn1cnc2ccc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc21 ZINC001140742350 1022400937 /nfs/dbraw/zinc/40/09/37/1022400937.db2.gz LIFYLBJGPHIMTL-UHFFFAOYSA-N 0 1 390.409 3.794 20 10 GHCDMN CCN(CC)c1ccc(CN2CCCn3cnc(COC(C)C)c3C2)c(O)c1 ZINC001140855208 1022710232 /nfs/dbraw/zinc/71/02/32/1022710232.db2.gz RKLQXMHMUIYGLT-UHFFFAOYSA-N 0 1 386.540 3.766 20 10 GHCDMN Cc1ccc(CN2CCc3c(COCc4ccccn4)cncc3C2)c(O)c1 ZINC001140952312 1022980667 /nfs/dbraw/zinc/98/06/67/1022980667.db2.gz MPVSLZROZJFQDF-UHFFFAOYSA-N 0 1 375.472 3.766 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3ccccc3C(F)(F)F)CC2)c(OC)c1 ZINC001141030653 1023295805 /nfs/dbraw/zinc/29/58/05/1023295805.db2.gz FMODQNXVWDWRNG-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756366082 1023608983 /nfs/dbraw/zinc/60/89/83/1023608983.db2.gz DUCNBBRIHINJJA-HZSPNIEDSA-N 0 1 385.346 3.693 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(Br)cc1[O-] ZINC000756391449 1023625613 /nfs/dbraw/zinc/62/56/13/1023625613.db2.gz CJAORKYAIBQXPX-CYBMUJFWSA-N 0 1 387.281 3.645 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(Br)ccc1[O-] ZINC000756442203 1023651445 /nfs/dbraw/zinc/65/14/45/1023651445.db2.gz CMIZORZSVMKGTR-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000756479330 1023678352 /nfs/dbraw/zinc/67/83/52/1023678352.db2.gz MCSKXUXFMSHQQR-INIZCTEOSA-N 0 1 389.927 3.527 20 10 GHCDMN Cc1ccc2c(c1)nc(Cl)nc2NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156656966 1033161021 /nfs/dbraw/zinc/16/10/21/1033161021.db2.gz FLUCDTWMNXTMAH-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(N5CCCCC5)cc4)C[C@H]3O2)n1 ZINC001138216881 1024385181 /nfs/dbraw/zinc/38/51/81/1024385181.db2.gz OFJDAPGJKZRPOO-CEWLAPEOSA-N 0 1 382.508 3.720 20 10 GHCDMN CN1CCCc2cc(CN3CCCn4cnc(Cn5cccc5)c4C3)ccc21 ZINC001138355947 1024720349 /nfs/dbraw/zinc/72/03/49/1024720349.db2.gz CKBCWOOMWRNZME-UHFFFAOYSA-N 0 1 375.520 3.521 20 10 GHCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373050 1024760658 /nfs/dbraw/zinc/76/06/58/1024760658.db2.gz KVBREJAJYJFRMY-BXKDBHETSA-N 0 1 376.678 3.582 20 10 GHCDMN CC(C)OC1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138679299 1025204842 /nfs/dbraw/zinc/20/48/42/1025204842.db2.gz XFBBIIIHCJMNIJ-UHFFFAOYSA-N 0 1 397.357 3.675 20 10 GHCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(Br)c1)Cc1ccccc1O ZINC001138680913 1025205475 /nfs/dbraw/zinc/20/54/75/1025205475.db2.gz QXWQGMMVGKDQSS-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN COc1cccc2cc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)oc21 ZINC000839146656 1025642350 /nfs/dbraw/zinc/64/23/50/1025642350.db2.gz PXIMNABDQUDYPG-UHFFFAOYSA-N 0 1 388.414 3.846 20 10 GHCDMN CCCc1noc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130718 1025943556 /nfs/dbraw/zinc/94/35/56/1025943556.db2.gz HTVCCNUUNFSPRH-AWEZNQCLSA-N 0 1 383.448 3.522 20 10 GHCDMN Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132816 1025944940 /nfs/dbraw/zinc/94/49/40/1025944940.db2.gz APHPKXCSSLMAQW-MRXNPFEDSA-N 0 1 380.444 3.554 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnn(CC4CCC4)c3)cc2F)C[C@@H](C)O1 ZINC001461068589 1069373817 /nfs/dbraw/zinc/37/38/17/1069373817.db2.gz WIENXWAVDVJYKR-IAGOWNOFSA-N 0 1 386.515 3.726 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OC(F)(F)O2 ZINC001141738027 1026387471 /nfs/dbraw/zinc/38/74/71/1026387471.db2.gz SIAGTKSRGKJMKC-UHFFFAOYSA-N 0 1 376.142 3.951 20 10 GHCDMN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681927 1026537135 /nfs/dbraw/zinc/53/71/35/1026537135.db2.gz IBZKFHPIGQVRAS-OAHLLOKOSA-N 0 1 392.446 3.519 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001139682262 1026537162 /nfs/dbraw/zinc/53/71/62/1026537162.db2.gz UNYWXRUKFNXURQ-RXVVDRJESA-N 0 1 390.430 3.516 20 10 GHCDMN CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001139683366 1026537240 /nfs/dbraw/zinc/53/72/40/1026537240.db2.gz HQLBTEDIDBGLKC-QFIPXVFZSA-N 0 1 386.442 3.817 20 10 GHCDMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139682678 1026537615 /nfs/dbraw/zinc/53/76/15/1026537615.db2.gz AKHOCLVFCVRZDT-QLVMHMETSA-N 0 1 387.474 3.798 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3c[nH]c4cccc(C(=O)OC)c34)CC2)cc1 ZINC001139724478 1026567194 /nfs/dbraw/zinc/56/71/94/1026567194.db2.gz YBPJXITWMYEHPU-UHFFFAOYSA-N 0 1 393.487 3.675 20 10 GHCDMN Oc1ccc(F)cc1CN1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001140054829 1026835222 /nfs/dbraw/zinc/83/52/22/1026835222.db2.gz XVJCYCGIKMBGHI-XMSQKQJNSA-N 0 1 386.467 3.514 20 10 GHCDMN C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1NC(=O)OC(C)(C)C ZINC001140098633 1026874756 /nfs/dbraw/zinc/87/47/56/1026874756.db2.gz ISDOAEKGQQENLX-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100951 1026879815 /nfs/dbraw/zinc/87/98/15/1026879815.db2.gz HUKRQNQGEOWWAH-SFHVURJKSA-N 0 1 381.314 3.522 20 10 GHCDMN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100951 1026879824 /nfs/dbraw/zinc/87/98/24/1026879824.db2.gz HUKRQNQGEOWWAH-SFHVURJKSA-N 0 1 381.314 3.522 20 10 GHCDMN COc1ccc(OC2CC[NH+](Cc3c([O-])cccc3Br)CC2)nc1 ZINC001140102667 1026882821 /nfs/dbraw/zinc/88/28/21/1026882821.db2.gz VWDZGLFFABBJBO-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1ccc(OC2CCN(Cc3c(O)cccc3Br)CC2)nc1 ZINC001140102667 1026882829 /nfs/dbraw/zinc/88/28/29/1026882829.db2.gz VWDZGLFFABBJBO-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001203575654 1027445370 /nfs/dbraw/zinc/44/53/70/1027445370.db2.gz WCWGLPUQTGRQCB-LJQANCHMSA-N 0 1 393.318 3.982 20 10 GHCDMN COc1cccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1O ZINC001203594392 1027459928 /nfs/dbraw/zinc/45/99/28/1027459928.db2.gz XXNFLZGVRYWEIB-LJQANCHMSA-N 0 1 397.519 3.533 20 10 GHCDMN CCOc1cccc(CN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c1O ZINC001203616979 1027480516 /nfs/dbraw/zinc/48/05/16/1027480516.db2.gz DGOMZNGYWXRMFM-UHFFFAOYSA-N 0 1 389.517 3.574 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001203636284 1027494376 /nfs/dbraw/zinc/49/43/76/1027494376.db2.gz SEAORHAJHVNIIG-QMTHXVAHSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001203636284 1027494384 /nfs/dbraw/zinc/49/43/84/1027494384.db2.gz SEAORHAJHVNIIG-QMTHXVAHSA-N 0 1 382.220 3.680 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203640127 1027500177 /nfs/dbraw/zinc/50/01/77/1027500177.db2.gz SPAJPEVKNQSJND-UHFFFAOYSA-N 0 1 379.342 3.995 20 10 GHCDMN O=C1C[C@@H]2[C@H](CCN2Cc2cc(Br)ccc2O)N1c1ccsc1 ZINC001203643736 1027501709 /nfs/dbraw/zinc/50/17/09/1027501709.db2.gz QFTXCBXROIQXTO-LSDHHAIUSA-N 0 1 393.306 3.596 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cc(Cl)ccc4[O-])C3)C2=O)c1 ZINC001203657284 1027511290 /nfs/dbraw/zinc/51/12/90/1027511290.db2.gz CCJFWAFHRFPGMZ-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)C2=O)c1 ZINC001203657284 1027511300 /nfs/dbraw/zinc/51/13/00/1027511300.db2.gz CCJFWAFHRFPGMZ-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1S(=O)(=O)N(C)C ZINC001203907537 1027699625 /nfs/dbraw/zinc/69/96/25/1027699625.db2.gz XFWGRFRJYGIVEC-UHFFFAOYSA-N 0 1 389.304 3.870 20 10 GHCDMN CC[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])[N@@H+]1CCc2ccccc2C1 ZINC001211270058 1027876495 /nfs/dbraw/zinc/87/64/95/1027876495.db2.gz UAJBSWBMJYAQST-GOSISDBHSA-N 0 1 387.911 3.682 20 10 GHCDMN CC[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])[N@H+]1CCc2ccccc2C1 ZINC001211270058 1027876512 /nfs/dbraw/zinc/87/65/12/1027876512.db2.gz UAJBSWBMJYAQST-GOSISDBHSA-N 0 1 387.911 3.682 20 10 GHCDMN C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1O ZINC000840870387 1027908709 /nfs/dbraw/zinc/90/87/09/1027908709.db2.gz ZBIRXBOQYKDNTH-ZETCQYMHSA-N 0 1 394.166 3.953 20 10 GHCDMN C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1[O-] ZINC000840870387 1027908715 /nfs/dbraw/zinc/90/87/15/1027908715.db2.gz ZBIRXBOQYKDNTH-ZETCQYMHSA-N 0 1 394.166 3.953 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000840874535 1027911556 /nfs/dbraw/zinc/91/15/56/1027911556.db2.gz GMMMUDRJLJUYTN-UHFFFAOYSA-N 0 1 387.911 3.547 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)c1 ZINC000840950647 1027981851 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/nfs/dbraw/zinc/90/15/54/859901554.db2.gz CMNQFNVILKWNQK-UTKZUKDTSA-N 0 1 399.510 3.533 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000282362178 860145795 /nfs/dbraw/zinc/14/57/95/860145795.db2.gz BLFXZPQPPKYKOT-UHFFFAOYSA-N 0 1 381.480 3.575 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)cc3F)cc2F)CC1 ZINC000730132962 860872830 /nfs/dbraw/zinc/87/28/30/860872830.db2.gz JVFSTWXJEHXCNP-UHFFFAOYSA-N 0 1 388.462 3.737 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3c4ccccc4C[C@@H]3C)cc2F)CC1 ZINC000730133211 860873206 /nfs/dbraw/zinc/87/32/06/860873206.db2.gz MALSJAUUFWPTDL-KRWDZBQOSA-N 0 1 396.510 3.628 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3C)cc2F)CC1 ZINC000730134825 860873380 /nfs/dbraw/zinc/87/33/80/860873380.db2.gz MIYSNSPEKCPQGB-UHFFFAOYSA-N 0 1 398.526 3.618 20 10 GHCDMN CCc1ccc(CCC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000730194906 860936191 /nfs/dbraw/zinc/93/61/91/860936191.db2.gz SEOFCLIOSIFMSI-UHFFFAOYSA-N 0 1 397.538 3.779 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCc2ccncc2)C1 ZINC000444057896 863234564 /nfs/dbraw/zinc/23/45/64/863234564.db2.gz WBJMKFHNIFSSFG-UHFFFAOYSA-N 0 1 390.531 3.504 20 10 GHCDMN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000011193315 881667452 /nfs/dbraw/zinc/66/74/52/881667452.db2.gz PBGDGLTUQPNWKX-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)NCCCSc2nccs2)N2CCCC2)o1 ZINC000153055098 881670944 /nfs/dbraw/zinc/67/09/44/881670944.db2.gz SGPTWSJMNPNMKM-HNNXBMFYSA-N 0 1 394.566 3.663 20 10 GHCDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000896945819 864116456 /nfs/dbraw/zinc/11/64/56/864116456.db2.gz BNIPEMKRMGPQLJ-CQSZACIVSA-N 0 1 376.403 3.530 20 10 GHCDMN Oc1c(Cl)cc(F)cc1CN1CCc2nc(Br)sc2C1 ZINC001237799642 864402048 /nfs/dbraw/zinc/40/20/48/864402048.db2.gz SLJZUKZGVKJJNH-UHFFFAOYSA-N 0 1 377.666 3.962 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000735167674 864655880 /nfs/dbraw/zinc/65/58/80/864655880.db2.gz BSCMMLDHTDIEIN-UHFFFAOYSA-N 0 1 383.511 3.557 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncnc4ccc(F)cc43)cc2F)CC1 ZINC000301205701 865224130 /nfs/dbraw/zinc/22/41/30/865224130.db2.gz SKEKJLXKWMIWRU-UHFFFAOYSA-N 0 1 383.446 3.662 20 10 GHCDMN Cc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncc1[N+](=O)[O-] ZINC000301442695 865364008 /nfs/dbraw/zinc/36/40/08/865364008.db2.gz PFZMCZFWTTWOFE-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ncc1[N+](=O)[O-] ZINC000301442695 865364023 /nfs/dbraw/zinc/36/40/23/865364023.db2.gz PFZMCZFWTTWOFE-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ncc1[N+](=O)[O-] ZINC000301442695 865364038 /nfs/dbraw/zinc/36/40/38/865364038.db2.gz PFZMCZFWTTWOFE-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)c2c1 ZINC000742159664 867111852 /nfs/dbraw/zinc/11/18/52/867111852.db2.gz RSRCKFLFRKVKEV-OAHLLOKOSA-N 0 1 386.492 3.995 20 10 GHCDMN CS(=O)(=O)c1cccc([C@H](NCc2ccccc2O)c2ccc(F)cc2)c1 ZINC000742382610 867250445 /nfs/dbraw/zinc/25/04/45/867250445.db2.gz FWSGYRNOCHCAIF-OAQYLSRUSA-N 0 1 385.460 3.814 20 10 GHCDMN CC1(C)CN(Cc2ccc(I)cc2O)CCC1(F)F ZINC001232976532 867501444 /nfs/dbraw/zinc/50/14/44/867501444.db2.gz SBQAHQXWAXMCPB-UHFFFAOYSA-N 0 1 381.204 3.864 20 10 GHCDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc(O)cc3OC(C)C)cc2s1 ZINC000793429122 882180089 /nfs/dbraw/zinc/18/00/89/882180089.db2.gz NNRFJGKCXNERCZ-UHFFFAOYSA-N 0 1 378.475 3.898 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCc1ccccc1 ZINC000743871012 868468449 /nfs/dbraw/zinc/46/84/49/868468449.db2.gz LYRUKOULJKXFPM-CQSZACIVSA-N 0 1 391.309 3.682 20 10 GHCDMN CCN(CC(=O)N1CCc2ccccc21)Cc1cc(Br)ccc1O ZINC000743871092 868468492 /nfs/dbraw/zinc/46/84/92/868468492.db2.gz PXPNTWPQGSSMBL-UHFFFAOYSA-N 0 1 389.293 3.566 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Oc2ccc3c(c2)OCO3)C1 ZINC000766324100 869314114 /nfs/dbraw/zinc/31/41/14/869314114.db2.gz JIJRNAFWZUUZNA-UHFFFAOYSA-N 0 1 392.455 3.742 20 10 GHCDMN Cc1cc(-c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)co2)ccn1 ZINC000857508760 882310635 /nfs/dbraw/zinc/31/06/35/882310635.db2.gz XLZSJLSZVQMWGL-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN COc1ccc(CN2CC[C@H]([NH2+]Cc3cc4ccccc4cc3[O-])CC2=O)cc1 ZINC001168910723 870995547 /nfs/dbraw/zinc/99/55/47/870995547.db2.gz ZUQJDGQFNIKPQA-NRFANRHFSA-N 0 1 390.483 3.835 20 10 GHCDMN COc1cc(C)ccc1OC1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193611540 871187261 /nfs/dbraw/zinc/18/72/61/871187261.db2.gz HSYQCZPVYQCQJO-UHFFFAOYSA-N 0 1 391.851 3.752 20 10 GHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001193612511 871187276 /nfs/dbraw/zinc/18/72/76/871187276.db2.gz PHKBWEJAVZCYOH-UONOGXRCSA-N 0 1 398.887 3.659 20 10 GHCDMN COc1cccc(OCC2CCN(C(=O)c3cc(O)c(O)c(Cl)c3)CC2)c1 ZINC001193613018 871189018 /nfs/dbraw/zinc/18/90/18/871189018.db2.gz WZOZCVPXZGRSRB-UHFFFAOYSA-N 0 1 391.851 3.691 20 10 GHCDMN Cc1nc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)oc1C ZINC000766896721 872064492 /nfs/dbraw/zinc/06/44/92/872064492.db2.gz OOWRMUMJFKDQAB-UHFFFAOYSA-N 0 1 381.476 3.756 20 10 GHCDMN CC(C)[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H](C)O ZINC000775680207 872811630 /nfs/dbraw/zinc/81/16/30/872811630.db2.gz DEVCEAVSYGPJEU-SECBINFHSA-N 0 1 381.108 3.508 20 10 GHCDMN CC(C)c1ccnc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000768534411 873366272 /nfs/dbraw/zinc/36/62/72/873366272.db2.gz PALJWCKEKXGJQN-UHFFFAOYSA-N 0 1 379.552 3.913 20 10 GHCDMN CC[C@@H](OC1CCCC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915084 873683092 /nfs/dbraw/zinc/68/30/92/873683092.db2.gz JFJYCJGEIRHKPR-FXAWDEMLSA-N 0 1 394.943 3.864 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1-n1cncn1 ZINC000769538898 874142211 /nfs/dbraw/zinc/14/22/11/874142211.db2.gz GEFKNIQHLBJQCR-UHFFFAOYSA-N 0 1 387.281 3.758 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1-n1cncn1 ZINC000769538898 874142215 /nfs/dbraw/zinc/14/22/15/874142215.db2.gz GEFKNIQHLBJQCR-UHFFFAOYSA-N 0 1 387.281 3.758 20 10 GHCDMN CCc1noc([C@H](C)OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000769665474 874222451 /nfs/dbraw/zinc/22/24/51/874222451.db2.gz SNTCNORNSXTEPG-HNNXBMFYSA-N 0 1 396.491 3.658 20 10 GHCDMN COc1cc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc(OC)c1OC ZINC000858098799 882843935 /nfs/dbraw/zinc/84/39/35/882843935.db2.gz RRPXOEOLLVQOTL-LBPRGKRZSA-N 0 1 380.435 3.907 20 10 GHCDMN CC[C@H](C)NC(=O)c1cccc(CNCc2c(O)cccc2Br)c1 ZINC000858097960 882843956 /nfs/dbraw/zinc/84/39/56/882843956.db2.gz CBXDJBXKFZPRAQ-ZDUSSCGKSA-N 0 1 391.309 3.973 20 10 GHCDMN CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858097960 882843973 /nfs/dbraw/zinc/84/39/73/882843973.db2.gz CBXDJBXKFZPRAQ-ZDUSSCGKSA-N 0 1 391.309 3.973 20 10 GHCDMN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000858106976 882853552 /nfs/dbraw/zinc/85/35/52/882853552.db2.gz WGEKQXOHHJMXFL-UHFFFAOYSA-N 0 1 388.533 3.830 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc2c(c1)CC(=O)N2C ZINC000858123478 882862104 /nfs/dbraw/zinc/86/21/04/882862104.db2.gz AAPHLALDEVPGCO-LLVKDONJSA-N 0 1 375.266 3.524 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1Br ZINC000320775145 874901998 /nfs/dbraw/zinc/90/19/98/874901998.db2.gz IGXAEUORYNYMCS-UHFFFAOYSA-N 0 1 399.285 3.989 20 10 GHCDMN COc1cc(CCC[NH2+]Cc2c([O-])cccc2Br)cc(OC)c1O ZINC000858196497 882930778 /nfs/dbraw/zinc/93/07/78/882930778.db2.gz RGNYFSMSFAHPGX-UHFFFAOYSA-N 0 1 396.281 3.600 20 10 GHCDMN CN1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1c1ccc(F)cc1 ZINC001201464890 875701147 /nfs/dbraw/zinc/70/11/47/875701147.db2.gz DMTMMGGGKMUTTC-AEFFLSMTSA-N 0 1 379.273 3.829 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3cccc(C)c3)CC2)cc1 ZINC000007027515 876512734 /nfs/dbraw/zinc/51/27/34/876512734.db2.gz LXQKJZNTAGUZDE-UHFFFAOYSA-N 0 1 398.576 3.502 20 10 GHCDMN COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)cc1 ZINC000850345786 876836092 /nfs/dbraw/zinc/83/60/92/876836092.db2.gz KKKZCUGQKSQLJM-HNNXBMFYSA-N 0 1 377.282 3.532 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)c(OC(F)F)c1 ZINC000850406007 876886586 /nfs/dbraw/zinc/88/65/86/876886586.db2.gz NYNKXSQDKLLYTA-UHFFFAOYSA-N 0 1 392.446 3.548 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427006 876910296 /nfs/dbraw/zinc/91/02/96/876910296.db2.gz KEZNZKSUXSCNRI-MRXNPFEDSA-N 0 1 399.491 3.663 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3ncc(Br)cc3F)C2)cc1 ZINC000850487460 876962443 /nfs/dbraw/zinc/96/24/43/876962443.db2.gz HBCFIEOUAXZZFJ-TZMCWYRMSA-N 0 1 394.288 3.921 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3nnn(-c4ccc(C)cc4)c3C)C2)cc1 ZINC000850487548 876963884 /nfs/dbraw/zinc/96/38/84/876963884.db2.gz IDOOGRPBXYYCPP-MJGOQNOKSA-N 0 1 391.519 3.822 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3ncc(Br)s3)C2)cc1 ZINC000850488894 876966340 /nfs/dbraw/zinc/96/63/40/876966340.db2.gz PAZDAVLHUYUYPW-VXGBXAGGSA-N 0 1 382.327 3.844 20 10 GHCDMN COC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccc(OC)c1 ZINC000850514058 876984449 /nfs/dbraw/zinc/98/44/49/876984449.db2.gz LEGCIHHUZHWKPH-KKSFZXQISA-N 0 1 388.483 3.709 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000850568301 877035993 /nfs/dbraw/zinc/03/59/93/877035993.db2.gz VBGVWVMCAAHWAG-SFHVURJKSA-N 0 1 376.422 3.842 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858432386 883093068 /nfs/dbraw/zinc/09/30/68/883093068.db2.gz QZEONGBRXJKUKR-GOSISDBHSA-N 0 1 390.531 3.899 20 10 GHCDMN COC(=O)c1cccc2nc(NCc3cc(C)cc(Br)c3O)[nH]c21 ZINC000787796179 877625639 /nfs/dbraw/zinc/62/56/39/877625639.db2.gz ONEGAGKSVUTUBL-UHFFFAOYSA-N 0 1 390.237 3.738 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000746753894 878223327 /nfs/dbraw/zinc/22/33/27/878223327.db2.gz IHUOYFJDZTVCLG-UHFFFAOYSA-N 0 1 391.187 3.737 20 10 GHCDMN CN(Cc1cc(Br)cc(Br)c1O)CC(F)(F)F ZINC001203562199 912381788 /nfs/dbraw/zinc/38/17/88/912381788.db2.gz DTTGCEFZCFAJOV-UHFFFAOYSA-N 0 1 376.998 3.911 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccccc1OC(F)(F)F ZINC000111995341 879608065 /nfs/dbraw/zinc/60/80/65/879608065.db2.gz CSDNUBFLADBAAV-UHFFFAOYSA-N 0 1 386.395 3.986 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000790415804 879696867 /nfs/dbraw/zinc/69/68/67/879696867.db2.gz NHOKLKUWGRIJRQ-LBPRGKRZSA-N 0 1 399.896 3.823 20 10 GHCDMN CCc1nsc(N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000093871468 912494429 /nfs/dbraw/zinc/49/44/29/912494429.db2.gz JYSRKXHDXBSDFS-UHFFFAOYSA-N 0 1 385.581 3.803 20 10 GHCDMN CN1C(=O)/C(=C/c2cc(O)ccc2[N+](=O)[O-])c2cc(Br)ccc21 ZINC000772804380 881244366 /nfs/dbraw/zinc/24/43/66/881244366.db2.gz BJBFPJXNPLRTPM-NTUHNPAUSA-N 0 1 375.178 3.580 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000184687772 883373896 /nfs/dbraw/zinc/37/38/96/883373896.db2.gz HYIBHRXDASOTFP-UHFFFAOYSA-N 0 1 392.883 3.658 20 10 GHCDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804976566 883524816 /nfs/dbraw/zinc/52/48/16/883524816.db2.gz GPAXEPBYDUWSCR-UHFFFAOYSA-N 0 1 384.219 3.649 20 10 GHCDMN O=C(NCc1cccc2c1OCCCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000805221699 883700338 /nfs/dbraw/zinc/70/03/38/883700338.db2.gz LTNCFBMZCVOGMY-UHFFFAOYSA-N 0 1 397.258 3.860 20 10 GHCDMN CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC001275241876 912797929 /nfs/dbraw/zinc/79/79/29/912797929.db2.gz LLIFDQZWROCDLX-AWEZNQCLSA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC001275242045 912816658 /nfs/dbraw/zinc/81/66/58/912816658.db2.gz QIMJJOCTOXGZOF-UHFFFAOYSA-N 0 1 395.341 3.625 20 10 GHCDMN Cc1cc(Br)cc(CNCc2cc(C(F)(F)F)n(C)n2)c1O ZINC000898021680 884558619 /nfs/dbraw/zinc/55/86/19/884558619.db2.gz QNAVFEBKYNSRIW-UHFFFAOYSA-N 0 1 378.192 3.505 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(-c2ccccc2)n1 ZINC000806382207 884620468 /nfs/dbraw/zinc/62/04/68/884620468.db2.gz YXHILEJNOYBREA-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN COc1cccc2c1OC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000806723802 884938115 /nfs/dbraw/zinc/93/81/15/884938115.db2.gz FQJKORUWOPRCEL-CYBMUJFWSA-N 0 1 397.258 3.511 20 10 GHCDMN CCN(C)C(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807838999 885769720 /nfs/dbraw/zinc/76/97/20/885769720.db2.gz FGJSMGPPFFVPOD-UHFFFAOYSA-N 0 1 381.259 3.721 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(CCC(F)(F)F)c1 ZINC000807840841 885771642 /nfs/dbraw/zinc/77/16/42/885771642.db2.gz LSDILTSHTPQBKQ-UHFFFAOYSA-N 0 1 382.169 3.778 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1[nH]cnc1C(=O)c1ccccc1 ZINC000807837965 885804036 /nfs/dbraw/zinc/80/40/36/885804036.db2.gz GUDRPPYTNFSWCU-UHFFFAOYSA-N 0 1 390.226 3.583 20 10 GHCDMN O=c1[nH]cnc2cc(NCc3cc(Cl)cc(Cl)c3O)c([N+](=O)[O-])cc12 ZINC000808090269 886010460 /nfs/dbraw/zinc/01/04/60/886010460.db2.gz WNUUFLKDXUFDNE-UHFFFAOYSA-N 0 1 381.175 3.868 20 10 GHCDMN O=C(CC1CC[NH+](Cc2c([O-])cccc2Br)CC1)NC1CCCC1 ZINC000862233606 886231144 /nfs/dbraw/zinc/23/11/44/886231144.db2.gz NVAZRIZCFPXCLE-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN COC(=O)c1cnc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)s1 ZINC000862474184 886396260 /nfs/dbraw/zinc/39/62/60/886396260.db2.gz NPLXQUKOEKCRKO-UHFFFAOYSA-N 0 1 377.485 3.514 20 10 GHCDMN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000863938946 887472015 /nfs/dbraw/zinc/47/20/15/887472015.db2.gz SQPLMBHZBNVEFJ-UHFFFAOYSA-N 0 1 376.384 3.861 20 10 GHCDMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000763009922 887550795 /nfs/dbraw/zinc/55/07/95/887550795.db2.gz KYDZQDQQYZCPLX-OAHLLOKOSA-N 0 1 384.528 3.696 20 10 GHCDMN C[C@@H]1OCC[C@]12CN(Cc1ccc3c(c1)CCN3Cc1ccccc1)CCO2 ZINC000809656765 887664265 /nfs/dbraw/zinc/66/42/65/887664265.db2.gz JRSAYLFVNIABCZ-CYFREDJKSA-N 0 1 378.516 3.629 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1[O-] ZINC000809700166 887681709 /nfs/dbraw/zinc/68/17/09/887681709.db2.gz ZBPTULJXPMVVRQ-SQNIBIBYSA-N 0 1 388.851 3.958 20 10 GHCDMN Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712397 887732385 /nfs/dbraw/zinc/73/23/85/887732385.db2.gz LUZQNHJSRPBXGI-UHFFFAOYSA-N 0 1 387.281 3.642 20 10 GHCDMN CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000809721015 887747676 /nfs/dbraw/zinc/74/76/76/887747676.db2.gz RITAKGIHEIMOCP-HNNXBMFYSA-N 0 1 385.302 3.644 20 10 GHCDMN COC(=O)c1cccc(NC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000809754782 887797572 /nfs/dbraw/zinc/79/75/72/887797572.db2.gz HCZVMYWFKRBACI-UHFFFAOYSA-N 0 1 385.483 3.755 20 10 GHCDMN CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229027 888305050 /nfs/dbraw/zinc/30/50/50/888305050.db2.gz QGSXMYFWADQQLC-HNNXBMFYSA-N 0 1 379.444 3.667 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)n1-c1ccccn1 ZINC000916093951 888698357 /nfs/dbraw/zinc/69/83/57/888698357.db2.gz AMLXAVIWODTUJO-LJQANCHMSA-N 0 1 378.476 3.649 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)[C@@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001132899361 889782994 /nfs/dbraw/zinc/78/29/94/889782994.db2.gz SZXFPOUEKPCEKJ-QFIPXVFZSA-N 0 1 395.547 3.611 20 10 GHCDMN CCOC(=O)/C(=C/c1ccc(N2CCN(C)CC2)cc1)c1ccncc1Cl ZINC000812247559 890478181 /nfs/dbraw/zinc/47/81/81/890478181.db2.gz PXYBIPHKCGNWIH-XMHGGMMESA-N 0 1 385.895 3.591 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)ccc1[O-] ZINC000812739756 890922112 /nfs/dbraw/zinc/92/21/12/890922112.db2.gz CHKKPJBGYJFCLU-WCQYABFASA-N 0 1 393.256 3.750 20 10 GHCDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814571 890929146 /nfs/dbraw/zinc/92/91/46/890929146.db2.gz BZVCUADFZQEUAL-LJQANCHMSA-N 0 1 391.471 3.572 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000812781097 890962207 /nfs/dbraw/zinc/96/22/07/890962207.db2.gz ZSZNROJHMYWWKJ-NSHDSACASA-N 0 1 379.092 3.528 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000917088135 891068180 /nfs/dbraw/zinc/06/81/80/891068180.db2.gz PTCCAJITKZUWHN-JPAWQOSXSA-N 0 1 387.568 3.537 20 10 GHCDMN COc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1Cn1cccn1 ZINC000873130109 891477728 /nfs/dbraw/zinc/47/77/28/891477728.db2.gz ZGCDEZNOLZHPPJ-UHFFFAOYSA-N 0 1 376.382 3.644 20 10 GHCDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000813684846 891876610 /nfs/dbraw/zinc/87/66/10/891876610.db2.gz YEWPKYZZZXCJAS-UHFFFAOYSA-N 0 1 385.203 3.693 20 10 GHCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])CN(C)C ZINC000813877379 892056891 /nfs/dbraw/zinc/05/68/91/892056891.db2.gz UJBSEGLUTYUGFD-UWVGGRQHSA-N 0 1 394.151 3.766 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917488650 892077579 /nfs/dbraw/zinc/07/75/79/892077579.db2.gz VXLUGXMYQURKQB-UHFFFAOYSA-N 0 1 378.513 3.838 20 10 GHCDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820648 913647020 /nfs/dbraw/zinc/64/70/20/913647020.db2.gz CZUKVHQACMCFHQ-INIZCTEOSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820648 913647025 /nfs/dbraw/zinc/64/70/25/913647025.db2.gz CZUKVHQACMCFHQ-INIZCTEOSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774821672 913650198 /nfs/dbraw/zinc/65/01/98/913650198.db2.gz FZXAPXFEHARHOO-UHFFFAOYSA-N 0 1 381.226 3.704 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774821672 913650205 /nfs/dbraw/zinc/65/02/05/913650205.db2.gz FZXAPXFEHARHOO-UHFFFAOYSA-N 0 1 381.226 3.704 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 ZINC000125962857 893201320 /nfs/dbraw/zinc/20/13/20/893201320.db2.gz JRKOGAIVOKMVMJ-UHFFFAOYSA-N 0 1 388.470 3.554 20 10 GHCDMN CCN1CCN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])cc2F)CC1 ZINC001185290723 913783183 /nfs/dbraw/zinc/78/31/83/913783183.db2.gz MPAJDHKOZUDQIT-UHFFFAOYSA-N 0 1 376.407 3.627 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000815661003 894075512 /nfs/dbraw/zinc/07/55/12/894075512.db2.gz QHPOVUOVQVUGSW-CWLKWCNXSA-N 0 1 394.313 3.811 20 10 GHCDMN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)c(F)cc1O ZINC000816517403 894894201 /nfs/dbraw/zinc/89/42/01/894894201.db2.gz OMSPQDWEJQDJHP-INIZCTEOSA-N 0 1 391.748 3.948 20 10 GHCDMN CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816545316 894913382 /nfs/dbraw/zinc/91/33/82/894913382.db2.gz MFRUAXIHWKWAPW-UHFFFAOYSA-N 0 1 389.499 3.504 20 10 GHCDMN COC1CCN(c2ccc(CN3CCc4cccc(NC(C)=O)c4C3)cc2)CC1 ZINC000879238325 894924089 /nfs/dbraw/zinc/92/40/89/894924089.db2.gz PWRVIMLWSDQIRP-UHFFFAOYSA-N 0 1 393.531 3.819 20 10 GHCDMN C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)c(F)cc3[O-])nc2)CC1 ZINC000816557485 894941535 /nfs/dbraw/zinc/94/15/35/894941535.db2.gz RTUANHIVRHKWIY-UHFFFAOYSA-N 0 1 378.879 3.722 20 10 GHCDMN CC[C@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001185527688 913939750 /nfs/dbraw/zinc/93/97/50/913939750.db2.gz OBMFJVXMMNTKJO-QGZVFWFLSA-N 0 1 385.464 3.885 20 10 GHCDMN Cc1c(Cl)c(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1C ZINC000817407346 895584598 /nfs/dbraw/zinc/58/45/98/895584598.db2.gz KTQIZKAJWOJGFY-UHFFFAOYSA-N 0 1 384.858 3.742 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@@H](c3ncc[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000818341710 896119626 /nfs/dbraw/zinc/11/96/26/896119626.db2.gz DNMRJSYBOZLULV-IIBYNOLFSA-N 0 1 380.467 3.763 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000819720417 896934035 /nfs/dbraw/zinc/93/40/35/896934035.db2.gz OXQSUPPAYWEOAZ-GOSISDBHSA-N 0 1 377.492 3.965 20 10 GHCDMN COc1cc(Br)cc(CNCc2cccc(C(F)(F)F)n2)c1O ZINC000824591417 899708054 /nfs/dbraw/zinc/70/80/54/899708054.db2.gz VAWAKHCSOZSNCZ-UHFFFAOYSA-N 0 1 391.187 3.867 20 10 GHCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636230 899730462 /nfs/dbraw/zinc/73/04/62/899730462.db2.gz MRACAGXQKVWGFM-RNCFNFMXSA-N 0 1 393.119 3.510 20 10 GHCDMN O=C1CCCN1Cc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825107831 899976000 /nfs/dbraw/zinc/97/60/00/899976000.db2.gz NBOFCSORXUTISH-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124183 899993877 /nfs/dbraw/zinc/99/38/77/899993877.db2.gz JSNZQHKOPFLFGE-APWZRJJASA-N 0 1 381.394 3.716 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000825167068 900007347 /nfs/dbraw/zinc/00/73/47/900007347.db2.gz HGMHSPUDNHAVRI-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN COc1ccc(C2([NH2+]Cc3ccc(Br)cc3[O-])CCOCC2)cc1 ZINC000825286279 900071843 /nfs/dbraw/zinc/07/18/43/900071843.db2.gz DDCYJOWRHDTDKK-UHFFFAOYSA-N 0 1 392.293 3.959 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1Cl ZINC000825474864 900185136 /nfs/dbraw/zinc/18/51/36/900185136.db2.gz HJIUKSBFGXGQMR-INIZCTEOSA-N 0 1 386.858 3.856 20 10 GHCDMN COc1c(F)cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC001143847313 900590462 /nfs/dbraw/zinc/59/04/62/900590462.db2.gz HZOKVBYTBVJCHP-UHFFFAOYSA-N 0 1 378.875 3.956 20 10 GHCDMN C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207766 900602091 /nfs/dbraw/zinc/60/20/91/900602091.db2.gz FPHGIBWRIOVETE-PMGBHYCQSA-N 0 1 399.422 3.715 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CNC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000844460741 900891498 /nfs/dbraw/zinc/89/14/98/900891498.db2.gz AHQSUMYNRDVQQI-UHFFFAOYSA-N 0 1 391.437 3.667 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000886749680 901254829 /nfs/dbraw/zinc/25/48/29/901254829.db2.gz ZWTDUQPMDWUUFH-OAHLLOKOSA-N 0 1 398.576 3.574 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001144308738 901703588 /nfs/dbraw/zinc/70/35/88/901703588.db2.gz VJCYEIVVUFFPTO-GASCZTMLSA-N 0 1 391.284 3.862 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)OCc2nc(C(C)C)n[nH]2)CCCC1 ZINC000845574030 902250404 /nfs/dbraw/zinc/25/04/04/902250404.db2.gz DRURYNJRRIGPGC-UHFFFAOYSA-N 0 1 382.464 3.514 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)OCc2n[nH]c(C(C)C)n2)CCCC1 ZINC000845574030 902250407 /nfs/dbraw/zinc/25/04/07/902250407.db2.gz DRURYNJRRIGPGC-UHFFFAOYSA-N 0 1 382.464 3.514 20 10 GHCDMN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129475601 902813011 /nfs/dbraw/zinc/81/30/11/902813011.db2.gz GQIXCVTWHJXBQJ-QGZVFWFLSA-N 0 1 380.467 3.699 20 10 GHCDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000772949419 903140308 /nfs/dbraw/zinc/14/03/08/903140308.db2.gz AZWUFQFAQGOGNF-AWEZNQCLSA-N 0 1 375.856 3.936 20 10 GHCDMN CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC001203645833 914807433 /nfs/dbraw/zinc/80/74/33/914807433.db2.gz UAROVLUIHRCNPG-GFCCVEGCSA-N 0 1 380.286 3.870 20 10 GHCDMN CCCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC001203645833 914807449 /nfs/dbraw/zinc/80/74/49/914807449.db2.gz UAROVLUIHRCNPG-GFCCVEGCSA-N 0 1 380.286 3.870 20 10 GHCDMN COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185825641 907841091 /nfs/dbraw/zinc/84/10/91/907841091.db2.gz GVVCTEOUYKUALK-SJKOYZFVSA-N 0 1 380.282 3.938 20 10 GHCDMN Cc1nc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])nc2ccccc12 ZINC001177607796 908665976 /nfs/dbraw/zinc/66/59/76/908665976.db2.gz ASYLJYOBPXABIS-UHFFFAOYSA-N 0 1 376.229 3.835 20 10 GHCDMN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001179864915 909788989 /nfs/dbraw/zinc/78/89/89/909788989.db2.gz YPJVONVWFREBIL-GOSISDBHSA-N 0 1 399.293 3.689 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000269052013 910118172 /nfs/dbraw/zinc/11/81/72/910118172.db2.gz VTBKOTMNBKEGIR-HXUWFJFHSA-N 0 1 393.491 3.858 20 10 GHCDMN Cc1cccc(CN2CCN(Cc3ccc(Br)cc3O)CC2)c1 ZINC001180413822 910154124 /nfs/dbraw/zinc/15/41/24/910154124.db2.gz YGLAJOIOYDZTNR-UHFFFAOYSA-N 0 1 375.310 3.781 20 10 GHCDMN CN(C)C(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)C(C)(C)C1 ZINC001180602305 910264601 /nfs/dbraw/zinc/26/46/01/910264601.db2.gz HJYLENOZMXQDHW-UHFFFAOYSA-N 0 1 397.519 3.549 20 10 GHCDMN Cc1nccc(N2CCN(Cc3ccc(N(C)Cc4cccs4)cc3)CC2)n1 ZINC001180707303 910318794 /nfs/dbraw/zinc/31/87/94/910318794.db2.gz HEOFZXOKSYILOI-UHFFFAOYSA-N 0 1 393.560 3.805 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000274225084 911268008 /nfs/dbraw/zinc/26/80/08/911268008.db2.gz OPCLKXYICGXHCJ-GFCCVEGCSA-N 0 1 390.281 3.970 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCO[C@H](C)C2)C1 ZINC000774178876 911498785 /nfs/dbraw/zinc/49/87/85/911498785.db2.gz IJWSBTAEMFMYNM-QZTJIDSGSA-N 0 1 384.520 3.766 20 10 GHCDMN CN(CC(=O)N(C)Cc1ccccc1F)Cc1ccc(N2CCCCC2)cc1 ZINC000248004895 911583111 /nfs/dbraw/zinc/58/31/11/911583111.db2.gz AGJXKCVNYZOQMW-UHFFFAOYSA-N 0 1 383.511 3.906 20 10 GHCDMN Cc1ccc(O)c(CNCc2c(F)ccc(I)c2F)c1 ZINC001182959535 912155246 /nfs/dbraw/zinc/15/52/46/912155246.db2.gz JVAFAIUNBDLLJW-UHFFFAOYSA-N 0 1 389.183 3.873 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cccc(C)c2Br)ccc1[N+](=O)[O-] ZINC000775105844 915111034 /nfs/dbraw/zinc/11/10/34/915111034.db2.gz DPDYXWZJBUKKRQ-UHFFFAOYSA-N 0 1 381.226 3.670 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N(c3ccccc3)C(C)C)CC2)cc1 ZINC000097476958 915585373 /nfs/dbraw/zinc/58/53/73/915585373.db2.gz XYZITFNMGPYADK-UHFFFAOYSA-N 0 1 381.520 3.649 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)cc1 ZINC000097476976 915586826 /nfs/dbraw/zinc/58/68/26/915586826.db2.gz OHHCFOGYYVLMOO-WOJBJXKFSA-N 0 1 395.547 3.782 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)cc1 ZINC000097476978 915586988 /nfs/dbraw/zinc/58/69/88/915586988.db2.gz OHHCFOGYYVLMOO-UXHICEINSA-N 0 1 395.547 3.782 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1[O-] ZINC000293730145 916351821 /nfs/dbraw/zinc/35/18/21/916351821.db2.gz OIDKKGCYVDFTOL-AWEZNQCLSA-N 0 1 391.309 3.842 20 10 GHCDMN COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1cccc(F)c1 ZINC000796498145 917838614 /nfs/dbraw/zinc/83/86/14/917838614.db2.gz BFXTVPLRCHLGKA-FQEVSTJZSA-N 0 1 393.842 3.955 20 10 GHCDMN CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1[O-] ZINC000775495897 918370792 /nfs/dbraw/zinc/37/07/92/918370792.db2.gz BDQMTEQKDXFNIF-AWEZNQCLSA-N 0 1 378.270 3.619 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775508830 918440771 /nfs/dbraw/zinc/44/07/71/918440771.db2.gz XPBRTOQGPGDXIR-NOLJZWGESA-N 0 1 383.330 3.842 20 10 GHCDMN O=S(=O)(c1ccccc1CNCc1c(O)cccc1Cl)N1CCCCC1 ZINC000113319296 919366170 /nfs/dbraw/zinc/36/61/70/919366170.db2.gz SLSHJMFWUJUMRA-UHFFFAOYSA-N 0 1 394.924 3.510 20 10 GHCDMN C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000800539592 920257210 /nfs/dbraw/zinc/25/72/10/920257210.db2.gz GYHKDNPTWVDOPG-NSHDSACASA-N 0 1 387.281 3.882 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000802659025 922317609 /nfs/dbraw/zinc/31/76/09/922317609.db2.gz VRUHNIVAHKFVPH-PHTAMDTFSA-N 0 1 376.844 3.598 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903055804 922733929 /nfs/dbraw/zinc/73/39/29/922733929.db2.gz CKANBKPZHGWERI-AWEZNQCLSA-N 0 1 379.426 3.912 20 10 GHCDMN C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccc(N2CCOCC2)cc1Cl ZINC000903204545 922852229 /nfs/dbraw/zinc/85/22/29/922852229.db2.gz SGFLIMJUXQFQBA-OAHLLOKOSA-N 0 1 384.911 3.914 20 10 GHCDMN Cc1cc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000011193282 924687658 /nfs/dbraw/zinc/68/76/58/924687658.db2.gz NQTSZXUPTUMTCG-HXUWFJFHSA-N 0 1 395.547 3.907 20 10 GHCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H](C)[C@H]1O ZINC000827147243 924898382 /nfs/dbraw/zinc/89/83/82/924898382.db2.gz OWQZPHYERPOIRK-QWHZDKJVSA-N 0 1 381.358 3.888 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310501 925244118 /nfs/dbraw/zinc/24/41/18/925244118.db2.gz OUWIVBGXFAMCID-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310501 925244125 /nfs/dbraw/zinc/24/41/25/925244125.db2.gz OUWIVBGXFAMCID-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310501 925244135 /nfs/dbraw/zinc/24/41/35/925244135.db2.gz OUWIVBGXFAMCID-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276078207 925247130 /nfs/dbraw/zinc/24/71/30/925247130.db2.gz IKOGUKKSGDOMNJ-DZGCQCFKSA-N 0 1 395.341 3.672 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 ZINC001137407525 925449551 /nfs/dbraw/zinc/44/95/51/925449551.db2.gz SHYQDGCQAXQQTF-UHFFFAOYSA-N 0 1 376.382 3.784 20 10 GHCDMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000389801525 926388523 /nfs/dbraw/zinc/38/85/23/926388523.db2.gz CHFRBTNLJSEWGZ-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN O=C(c1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1)N1CCCC1 ZINC000725848339 926466239 /nfs/dbraw/zinc/46/62/39/926466239.db2.gz QBEQNNLPUNKJGM-UHFFFAOYSA-N 0 1 389.293 3.681 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCC2(CC1)OCCO2 ZINC000753733428 929506018 /nfs/dbraw/zinc/50/60/18/929506018.db2.gz QAOXYTBCVLWKRA-UHFFFAOYSA-N 0 1 384.314 3.910 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CCC2(CC1)OCCO2 ZINC000753733428 929506026 /nfs/dbraw/zinc/50/60/26/929506026.db2.gz QAOXYTBCVLWKRA-UHFFFAOYSA-N 0 1 384.314 3.910 20 10 GHCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892269 930629841 /nfs/dbraw/zinc/62/98/41/930629841.db2.gz IVSDXELWYAQVDS-UWVGGRQHSA-N 0 1 393.119 3.510 20 10 GHCDMN CCOc1cccc(CN[C@H](CCO)c2ccccc2Br)c1O ZINC000781638179 930919738 /nfs/dbraw/zinc/91/97/38/930919738.db2.gz GPRVWRGTMVQUGM-MRXNPFEDSA-N 0 1 380.282 3.767 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000781922466 931030337 /nfs/dbraw/zinc/03/03/37/931030337.db2.gz ZANSUWROFQANIR-GOSISDBHSA-N 0 1 380.257 3.696 20 10 GHCDMN Fc1cc(CN[C@@H]2CCCc3c(Cl)ccnc32)ccc1N1CCOCC1 ZINC000924710198 931482098 /nfs/dbraw/zinc/48/20/98/931482098.db2.gz ISMRKLHELRQDPS-GOSISDBHSA-N 0 1 375.875 3.878 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCOCC(F)F)C1 ZINC000797132845 932196892 /nfs/dbraw/zinc/19/68/92/932196892.db2.gz BVAFJIJRRDGHCD-UHFFFAOYSA-N 0 1 394.462 3.623 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000797530180 932321872 /nfs/dbraw/zinc/32/18/72/932321872.db2.gz PRWKYHVMXKSLGV-OAHLLOKOSA-N 0 1 386.879 3.733 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000797530180 932321880 /nfs/dbraw/zinc/32/18/80/932321880.db2.gz PRWKYHVMXKSLGV-OAHLLOKOSA-N 0 1 386.879 3.733 20 10 GHCDMN COc1ccc(N2CCCN(Cc3ccnn3-c3ccccc3OC)CC2)cc1 ZINC000797589715 932336787 /nfs/dbraw/zinc/33/67/87/932336787.db2.gz CEVASEJEOJZBRG-UHFFFAOYSA-N 0 1 392.503 3.602 20 10 GHCDMN COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1O ZINC000797819945 932416872 /nfs/dbraw/zinc/41/68/72/932416872.db2.gz XXIYQZRKPNKSSS-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799359630 932969072 /nfs/dbraw/zinc/96/90/72/932969072.db2.gz XYFNJDLELBXJPF-HNNXBMFYSA-N 0 1 394.487 3.861 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799359630 932969076 /nfs/dbraw/zinc/96/90/76/932969076.db2.gz XYFNJDLELBXJPF-HNNXBMFYSA-N 0 1 394.487 3.861 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cc([N+](=O)[O-])ccc2Br)c1 ZINC000930216178 933898154 /nfs/dbraw/zinc/89/81/54/933898154.db2.gz ADWCBOCWVXDPKT-JTQLQIEISA-N 0 1 381.226 3.922 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC001118799665 934250096 /nfs/dbraw/zinc/25/00/96/934250096.db2.gz TWMKPFGEELGBAR-UHFFFAOYSA-N 0 1 395.263 3.909 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H]2C[C@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000828474367 935640209 /nfs/dbraw/zinc/64/02/09/935640209.db2.gz IHXMVNNXRUPONR-WMLDXEAASA-N 0 1 375.900 3.561 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCC[C@@H]2CCOC2)C1 ZINC000829053808 935759618 /nfs/dbraw/zinc/75/96/18/935759618.db2.gz FSVDXHYYLNOXOF-GOSISDBHSA-N 0 1 384.520 3.768 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001137836346 935815651 /nfs/dbraw/zinc/81/56/51/935815651.db2.gz ZLZDLMOHOOSARG-VXKWHMMOSA-N 0 1 386.467 3.514 20 10 GHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001596118249 983451492 /nfs/dbraw/zinc/45/14/92/983451492.db2.gz OIZAZOWQCUUUHN-UHFFFAOYSA-N 0 1 381.476 3.915 20 10 GHCDMN COc1cc(C)c(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c(O)c1 ZINC001599390990 997035893 /nfs/dbraw/zinc/03/58/93/997035893.db2.gz FXBUYYZWZHRVEE-UHFFFAOYSA-N 0 1 394.265 3.559 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC001599420959 997593379 /nfs/dbraw/zinc/59/33/79/997593379.db2.gz SOMLHFWCRJQRIX-UHFFFAOYSA-N 0 1 385.794 3.809 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)cc1Cl ZINC001277213064 1032436413 /nfs/dbraw/zinc/43/64/13/1032436413.db2.gz IPGCMUWEGGAHEI-HUUCEWRRSA-N 0 1 390.833 3.872 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)cc1Cl ZINC001277213064 1032436420 /nfs/dbraw/zinc/43/64/20/1032436420.db2.gz IPGCMUWEGGAHEI-HUUCEWRRSA-N 0 1 390.833 3.872 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C(C)C)C(F)(F)F)c1O ZINC001227494217 1032440865 /nfs/dbraw/zinc/44/08/65/1032440865.db2.gz TWMNRWPOURSPFG-GFCCVEGCSA-N 0 1 384.372 3.773 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)[C@@H](Cc2ccccc2)C1 ZINC001204279438 1032719739 /nfs/dbraw/zinc/71/97/39/1032719739.db2.gz ZDJZGQRGWRUWIE-IBGZPJMESA-N 0 1 398.503 3.762 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(n3nccc3C)CC2)c1O ZINC001204343089 1032782382 /nfs/dbraw/zinc/78/23/82/1032782382.db2.gz XQFHUBJSGWHHRL-UHFFFAOYSA-N 0 1 380.286 3.505 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3)cc2F)CC1 ZINC000303353195 1021136540 /nfs/dbraw/zinc/13/65/40/1021136540.db2.gz YUKIGCWARGGTGQ-GOSISDBHSA-N 0 1 383.511 3.778 20 10 GHCDMN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc2cccnc2[nH]1 ZINC000834509607 1021233945 /nfs/dbraw/zinc/23/39/45/1021233945.db2.gz FRMVDECHAHIJSJ-UHFFFAOYSA-N 0 1 394.475 3.565 20 10 GHCDMN COc1ccccc1[C@@H](C)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228516343 1032967479 /nfs/dbraw/zinc/96/74/79/1032967479.db2.gz LBMFHCDUOSZJTE-GFCCVEGCSA-N 0 1 396.395 3.889 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001140344723 1021460215 /nfs/dbraw/zinc/46/02/15/1021460215.db2.gz KOJZSCLXDJLTRO-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001140344723 1021460225 /nfs/dbraw/zinc/46/02/25/1021460225.db2.gz KOJZSCLXDJLTRO-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000802177046 1021477139 /nfs/dbraw/zinc/47/71/39/1021477139.db2.gz AOYMJUUXFQKBFC-UHFFFAOYSA-N 0 1 397.454 3.828 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000802177046 1021477145 /nfs/dbraw/zinc/47/71/45/1021477145.db2.gz AOYMJUUXFQKBFC-UHFFFAOYSA-N 0 1 397.454 3.828 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000834882583 1021607399 /nfs/dbraw/zinc/60/73/99/1021607399.db2.gz SCTGXDFJXDNEHH-KRWDZBQOSA-N 0 1 382.913 3.537 20 10 GHCDMN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1=O ZINC001140465541 1021759306 /nfs/dbraw/zinc/75/93/06/1021759306.db2.gz PPJRIPGSGKQPAE-LJQANCHMSA-N 0 1 384.907 3.884 20 10 GHCDMN O=C1CN(Cc2c(O)ccc(Cl)c2F)CCN1Cc1cccc(Cl)c1 ZINC001204633646 1033003562 /nfs/dbraw/zinc/00/35/62/1033003562.db2.gz XKFLQVUSCGEZPL-UHFFFAOYSA-N 0 1 383.250 3.683 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)c2csnn2)C1 ZINC000836092927 1022629807 /nfs/dbraw/zinc/62/98/07/1022629807.db2.gz BHNBHRZXLVGXSY-CQSZACIVSA-N 0 1 384.505 3.564 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140856451 1022712115 /nfs/dbraw/zinc/71/21/15/1022712115.db2.gz BTKBGSBCIWPFSE-OALUTQOASA-N 0 1 389.540 3.822 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000755026564 1023029776 /nfs/dbraw/zinc/02/97/76/1023029776.db2.gz LRPHLMVLUIFPCE-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3cccc4sccc43)CC2)c(OC)c1 ZINC001141030579 1023295395 /nfs/dbraw/zinc/29/53/95/1023295395.db2.gz CINIVBSXHSRGDO-UHFFFAOYSA-N 0 1 384.501 3.946 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2c1cnn2CC ZINC001141074761 1023434363 /nfs/dbraw/zinc/43/43/63/1023434363.db2.gz AJOYBQATPHMBTR-NRFANRHFSA-N 0 1 394.563 3.738 20 10 GHCDMN CN(C)c1ccc(CN(CCO)Cc2cc(Br)cs2)cc1F ZINC000756119159 1023527906 /nfs/dbraw/zinc/52/79/06/1023527906.db2.gz FCTQPWWHSACORL-UHFFFAOYSA-N 0 1 387.318 3.710 20 10 GHCDMN O=C1[C@@H](NCc2ccc(N3CCCCC3)cc2)CCN1c1c(F)cccc1F ZINC000756149479 1023537227 /nfs/dbraw/zinc/53/72/27/1023537227.db2.gz JTKXSYZDLRYEEX-FQEVSTJZSA-N 0 1 385.458 3.850 20 10 GHCDMN C[C@@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756400435 1023629959 /nfs/dbraw/zinc/62/99/59/1023629959.db2.gz KIGXWYDDNNAAGC-IIBYNOLFSA-N 0 1 389.490 3.700 20 10 GHCDMN COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000756762607 1023805152 /nfs/dbraw/zinc/80/51/52/1023805152.db2.gz XVBBVBBPQWGJBY-GFCCVEGCSA-N 0 1 396.281 3.902 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(CF)cc1 ZINC000830543765 1023977671 /nfs/dbraw/zinc/97/76/71/1023977671.db2.gz DUZRDSIFNNQESJ-SFHVURJKSA-N 0 1 376.859 3.910 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(CF)cc1 ZINC000830543765 1023977675 /nfs/dbraw/zinc/97/76/75/1023977675.db2.gz DUZRDSIFNNQESJ-SFHVURJKSA-N 0 1 376.859 3.910 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]2CF)CC1 ZINC001138123730 1024166995 /nfs/dbraw/zinc/16/69/95/1024166995.db2.gz JCMVGQNAUQPTAO-LSDHHAIUSA-N 0 1 382.451 3.606 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001138125264 1024169643 /nfs/dbraw/zinc/16/96/43/1024169643.db2.gz MPDUAWFWBPAMFD-LJQANCHMSA-N 0 1 377.410 3.664 20 10 GHCDMN Cn1c2ccccc2n(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)c1=O ZINC001138358479 1024722666 /nfs/dbraw/zinc/72/26/66/1024722666.db2.gz SVVGKAHLORLVKP-UHFFFAOYSA-N 0 1 390.531 3.560 20 10 GHCDMN Cc1cc(C(=O)NCc2n[nH]c(-c3ccncc3)n2)c(C)n1-c1ccccc1C ZINC001162028558 1025549128 /nfs/dbraw/zinc/54/91/28/1025549128.db2.gz AXVVHIIBSVSXOJ-UHFFFAOYSA-N 0 1 386.459 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001139130139 1025943172 /nfs/dbraw/zinc/94/31/72/1025943172.db2.gz RSSPIMDMIGCTFZ-UHFFFAOYSA-N 0 1 382.435 3.658 20 10 GHCDMN CCc1cc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc(N2CCOCC2)n1 ZINC001163486152 1026210355 /nfs/dbraw/zinc/21/03/55/1026210355.db2.gz DZLALXXVSXIPSC-OAQYLSRUSA-N 0 1 396.535 3.934 20 10 GHCDMN Cc1cc(CN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)ccc1N(C)C ZINC001139674266 1026528899 /nfs/dbraw/zinc/52/88/99/1026528899.db2.gz RPCUGIAASSZUPO-UHFFFAOYSA-N 0 1 386.561 3.844 20 10 GHCDMN Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4c(F)ccc(F)c4[O-])C3)CC2=O)s1 ZINC001139684800 1026538660 /nfs/dbraw/zinc/53/86/60/1026538660.db2.gz QIDBOVJZCGNKIM-LJQANCHMSA-N 0 1 378.444 3.669 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001140098574 1026875181 /nfs/dbraw/zinc/87/51/81/1026875181.db2.gz FSMDIABLQPKACP-QMTHXVAHSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001140098574 1026875189 /nfs/dbraw/zinc/87/51/89/1026875189.db2.gz FSMDIABLQPKACP-QMTHXVAHSA-N 0 1 382.220 3.680 20 10 GHCDMN CN(Cc1c(O)cccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140100059 1026878114 /nfs/dbraw/zinc/87/81/14/1026878114.db2.gz CYYWRDZHBXJOJI-ZDUSSCGKSA-N 0 1 399.329 3.986 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC001140198576 1026971223 /nfs/dbraw/zinc/97/12/23/1026971223.db2.gz JOMYUHGYDUOJDP-UHFFFAOYSA-N 0 1 387.520 3.796 20 10 GHCDMN Cc1cc(N)ncc1Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001209971852 1027298242 /nfs/dbraw/zinc/29/82/42/1027298242.db2.gz CAXODAUOGRAHBW-UHFFFAOYSA-N 0 1 376.508 3.871 20 10 GHCDMN C[C@H]1CCN(Cc2cc(Br)cc(Br)c2O)CCC1=O ZINC001203564981 1027435901 /nfs/dbraw/zinc/43/59/01/1027435901.db2.gz ROJHSDJIMKADDW-VIFPVBQESA-N 0 1 391.103 3.718 20 10 GHCDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565273 1027437161 /nfs/dbraw/zinc/43/71/61/1027437161.db2.gz YRMIIYUICCNRHO-UWVGGRQHSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001203575195 1027442895 /nfs/dbraw/zinc/44/28/95/1027442895.db2.gz FSHWUXDMSARDRL-UHFFFAOYSA-N 0 1 378.303 3.802 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203575352 1027445120 /nfs/dbraw/zinc/44/51/20/1027445120.db2.gz LGTPJTRHZLPBHH-UHFFFAOYSA-N 0 1 393.318 3.690 20 10 GHCDMN COc1ccc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1 ZINC001203680382 1027526993 /nfs/dbraw/zinc/52/69/93/1027526993.db2.gz SLNBNXAHGMEJAP-UHFFFAOYSA-N 0 1 384.373 3.881 20 10 GHCDMN COc1cc2c(cc1F)CC[C@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758987 1027797223 /nfs/dbraw/zinc/79/72/23/1027797223.db2.gz JOUXDXMSRPCHOF-LJQANCHMSA-N 0 1 392.421 3.726 20 10 GHCDMN CN1CCN(c2ccc(CC[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])cc2)CC1 ZINC001204110737 1027882800 /nfs/dbraw/zinc/88/28/00/1027882800.db2.gz ITTCICPJOWTCQQ-UHFFFAOYSA-N 0 1 394.346 3.783 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(Cl)c1 ZINC000840877218 1027915095 /nfs/dbraw/zinc/91/50/95/1027915095.db2.gz ZJHPZSXLFVCEGE-GJZGRUSLSA-N 0 1 375.900 3.652 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963458 1027997285 /nfs/dbraw/zinc/99/72/85/1027997285.db2.gz NPWYLVTVTGBKRY-HXUWFJFHSA-N 0 1 384.432 3.663 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963458 1027997289 /nfs/dbraw/zinc/99/72/89/1027997289.db2.gz NPWYLVTVTGBKRY-HXUWFJFHSA-N 0 1 384.432 3.663 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC1CCOCC1 ZINC001461330221 1069503554 /nfs/dbraw/zinc/50/35/54/1069503554.db2.gz SDMMAWTVISWWGW-UHFFFAOYSA-N 0 1 395.547 3.917 20 10 GHCDMN Nc1ccc(CCNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000841642687 1028798382 /nfs/dbraw/zinc/79/83/82/1028798382.db2.gz ZVNZFVBNTGVYSF-FQEVSTJZSA-N 0 1 386.927 3.601 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001143110867 1029848282 /nfs/dbraw/zinc/84/82/82/1029848282.db2.gz RXSDAFGTLZQWTA-SLYNCCJLSA-N 0 1 397.519 3.538 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001217554224 1030487501 /nfs/dbraw/zinc/48/75/01/1030487501.db2.gz ZUUWXBHTMAHKSQ-UHFFFAOYSA-N 0 1 379.353 3.531 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001217554451 1030489374 /nfs/dbraw/zinc/48/93/74/1030489374.db2.gz WLQRXZWEKYOELY-UHFFFAOYSA-N 0 1 389.323 3.576 20 10 GHCDMN COc1ccc2c(c1O[C@@H]1[C@@H]3CCC[C@H]1CN(C)C3)C(=O)c1ccccc1C2=O ZINC001229239294 1033361170 /nfs/dbraw/zinc/36/11/70/1033361170.db2.gz NCUUEEAVGGONEI-LTQWCFAGSA-N 0 1 391.467 3.580 20 10 GHCDMN CCC[C@@H](Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21)C(C)(C)C ZINC001229773206 1033702809 /nfs/dbraw/zinc/70/28/09/1033702809.db2.gz MRTNQWPQKHKQTD-CYBMUJFWSA-N 0 1 390.388 3.610 20 10 GHCDMN O=C1NCCN(Cc2cc(Cl)cc(Br)c2O)c2ccccc21 ZINC001206091718 1033715071 /nfs/dbraw/zinc/71/50/71/1033715071.db2.gz QERZQBNIEMZBMB-UHFFFAOYSA-N 0 1 381.657 3.558 20 10 GHCDMN CC(=O)Nc1cccc2c1CCN(Cc1cc(Br)cc(F)c1O)C2 ZINC001206456470 1033851907 /nfs/dbraw/zinc/85/19/07/1033851907.db2.gz MSXCDDPAXGEFEQ-UHFFFAOYSA-N 0 1 393.256 3.811 20 10 GHCDMN Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001206523471 1033890675 /nfs/dbraw/zinc/89/06/75/1033890675.db2.gz MIGGMSUMQSRTAG-QGZVFWFLSA-N 0 1 386.293 3.962 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277505579 1034510636 /nfs/dbraw/zinc/51/06/36/1034510636.db2.gz AOYBLPMUNHDWLS-INIZCTEOSA-N 0 1 394.796 3.704 20 10 GHCDMN C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452659 1034596306 /nfs/dbraw/zinc/59/63/06/1034596306.db2.gz QSECKMMMMDRKTD-UHFFFAOYSA-N 0 1 392.496 3.559 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3c[nH]c4cnccc34)CC2)cc1 ZINC001231524896 1034677561 /nfs/dbraw/zinc/67/75/61/1034677561.db2.gz XTBCZAITEPAEHD-UHFFFAOYSA-N 0 1 376.382 3.784 20 10 GHCDMN C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231568939 1034718432 /nfs/dbraw/zinc/71/84/32/1034718432.db2.gz RWKMMXZXYDGBMQ-LLVKDONJSA-N 0 1 376.250 3.800 20 10 GHCDMN Cc1cccc(CN2C[C@H](C(F)(F)F)C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231594026 1034748836 /nfs/dbraw/zinc/74/88/36/1034748836.db2.gz ROFOSPPYJKHNKH-CABCVRRESA-N 0 1 388.430 3.978 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541775 1034763627 /nfs/dbraw/zinc/76/36/27/1034763627.db2.gz ZIEVCVUPVBWVNK-AUUYWEPGSA-N 0 1 395.341 3.829 20 10 GHCDMN COc1cc(CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)c(O)cc1O ZINC001231637405 1034795152 /nfs/dbraw/zinc/79/51/52/1034795152.db2.gz MEBRCXAPBCCERO-UHFFFAOYSA-N 0 1 383.275 3.735 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849243 1034940113 /nfs/dbraw/zinc/94/01/13/1034940113.db2.gz PUPWWLHVKVBTTI-MRXNPFEDSA-N 0 1 377.529 3.593 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849243 1034940117 /nfs/dbraw/zinc/94/01/17/1034940117.db2.gz PUPWWLHVKVBTTI-MRXNPFEDSA-N 0 1 377.529 3.593 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001231854479 1034944601 /nfs/dbraw/zinc/94/46/01/1034944601.db2.gz DVVCKMRWZKCPKR-QAPCUYQASA-N 0 1 377.529 3.639 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cc1Cl ZINC001231868824 1034955094 /nfs/dbraw/zinc/95/50/94/1034955094.db2.gz XQCZDQNJARJTMQ-JOCHJYFZSA-N 0 1 399.922 3.906 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)cc1Cl ZINC001231868824 1034955100 /nfs/dbraw/zinc/95/51/00/1034955100.db2.gz XQCZDQNJARJTMQ-JOCHJYFZSA-N 0 1 399.922 3.906 20 10 GHCDMN CN1CC[C@@]2(C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001231879134 1034962537 /nfs/dbraw/zinc/96/25/37/1034962537.db2.gz WTUCNTFSPUUOFQ-RDGATRHJSA-N 0 1 386.495 3.993 20 10 GHCDMN CN1CC[C@@]2(C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001231879134 1034962539 /nfs/dbraw/zinc/96/25/39/1034962539.db2.gz WTUCNTFSPUUOFQ-RDGATRHJSA-N 0 1 386.495 3.993 20 10 GHCDMN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)ccc2ccccc21 ZINC001231878603 1034962669 /nfs/dbraw/zinc/96/26/69/1034962669.db2.gz MSHXZVJCKWOKGE-JPYJTQIMSA-N 0 1 394.446 3.607 20 10 GHCDMN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)ccc2ccccc21 ZINC001231878603 1034962670 /nfs/dbraw/zinc/96/26/70/1034962670.db2.gz MSHXZVJCKWOKGE-JPYJTQIMSA-N 0 1 394.446 3.607 20 10 GHCDMN CCOC[C@H]1CN(Cc2cccc(Cl)c2O)Cc2nn(CC3CC3)cc21 ZINC001231910794 1034986082 /nfs/dbraw/zinc/98/60/82/1034986082.db2.gz WLDTUUCZTKOPPH-MRXNPFEDSA-N 0 1 375.900 3.788 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2C)cc1I ZINC001248469192 1035898918 /nfs/dbraw/zinc/89/89/18/1035898918.db2.gz ASOYUFHQAARWAX-WDEREUQCSA-N 0 1 375.250 3.626 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C[C@H]2C)cc1I ZINC001248469192 1035898923 /nfs/dbraw/zinc/89/89/23/1035898923.db2.gz ASOYUFHQAARWAX-WDEREUQCSA-N 0 1 375.250 3.626 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1Cl ZINC001248883041 1036222237 /nfs/dbraw/zinc/22/22/37/1036222237.db2.gz TXYZVDXQDROSGR-IYBDPMFKSA-N 0 1 386.927 3.701 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1Cl ZINC001248883041 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O=C(NCc1ccccc1-n1cccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000805014346 883531188 /nfs/dbraw/zinc/53/11/88/883531188.db2.gz WYUZGSSXBBAVFV-UHFFFAOYSA-N 0 1 391.258 3.884 20 10 GHCDMN O=S(=O)(/C=C/c1ccccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805135864 883615140 /nfs/dbraw/zinc/61/51/40/883615140.db2.gz YWLWRQXJHMOJSG-AATRIKPKSA-N 0 1 376.236 3.928 20 10 GHCDMN COc1ccccc1O[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805159776 883636172 /nfs/dbraw/zinc/63/61/72/883636172.db2.gz OGQQOBZGRVPHDA-LLVKDONJSA-N 0 1 399.274 3.974 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3oc(C(F)F)cc3C)cc2F)CC1 ZINC000859260312 883700399 /nfs/dbraw/zinc/70/03/99/883700399.db2.gz QTBUWWGYBSFAPL-UHFFFAOYSA-N 0 1 395.425 3.737 20 10 GHCDMN C[C@H](CCO)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805258005 883722217 /nfs/dbraw/zinc/72/22/17/883722217.db2.gz HQCVNXAAQSJHNB-LLVKDONJSA-N 0 1 375.296 3.687 20 10 GHCDMN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805401397 883791794 /nfs/dbraw/zinc/79/17/94/883791794.db2.gz 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COc1ccc2c(c1)C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CO2 ZINC000807839150 885806584 /nfs/dbraw/zinc/80/65/84/885806584.db2.gz XYHCBTTUUFEDFB-GFCCVEGCSA-N 0 1 382.243 3.575 20 10 GHCDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000808087168 886008732 /nfs/dbraw/zinc/00/87/32/886008732.db2.gz PJQOFZWACRZEDW-UHFFFAOYSA-N 0 1 397.261 3.684 20 10 GHCDMN CS(=O)(=O)c1ccc2ncnc(NCc3cc(Cl)cc(Cl)c3O)c2c1 ZINC000808089884 886010182 /nfs/dbraw/zinc/01/01/82/886010182.db2.gz MCWKDNSBKJEPEP-UHFFFAOYSA-N 0 1 398.271 3.658 20 10 GHCDMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc2F)c1 ZINC000808115681 886025767 /nfs/dbraw/zinc/02/57/67/886025767.db2.gz OBMZJYQENDFHAU-UHFFFAOYSA-N 0 1 399.806 3.619 20 10 GHCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1Cl ZINC000808114446 886026481 /nfs/dbraw/zinc/02/64/81/886026481.db2.gz YSSCLBMDXRBPML-UHFFFAOYSA-N 0 1 393.223 3.597 20 10 GHCDMN Cc1ccc(CNC(=O)C2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000747469372 886160305 /nfs/dbraw/zinc/16/03/05/886160305.db2.gz FJDLKSHJKRIBKA-UHFFFAOYSA-N 0 1 389.499 3.777 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000862216775 886215395 /nfs/dbraw/zinc/21/53/95/886215395.db2.gz LQAKZJWLQIMBGZ-UHFFFAOYSA-N 0 1 395.547 3.648 20 10 GHCDMN O=C(NC1CCCCC1)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862236408 886236952 /nfs/dbraw/zinc/23/69/52/886236952.db2.gz UWMQRVPMSVKGBS-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)cc1Cl ZINC000862521331 886425005 /nfs/dbraw/zinc/42/50/05/886425005.db2.gz ZUZUSGONJAOZRS-UHFFFAOYSA-N 0 1 384.904 3.518 20 10 GHCDMN C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000809658843 887619516 /nfs/dbraw/zinc/61/95/16/887619516.db2.gz XUCKRAHQTRETAS-DVECYGJZSA-N 0 1 378.516 3.629 20 10 GHCDMN Cn1cc(-c2ccc(C[NH2+]Cc3cc(Br)ccc3[O-])s2)cn1 ZINC000809713169 887734256 /nfs/dbraw/zinc/73/42/56/887734256.db2.gz KNKITHFEBUEMFK-UHFFFAOYSA-N 0 1 378.295 3.907 20 10 GHCDMN CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(O)c1 ZINC000809751482 887788077 /nfs/dbraw/zinc/78/80/77/887788077.db2.gz GJVRRHJNTSCSDS-SFHVURJKSA-N 0 1 378.476 3.956 20 10 GHCDMN CCN(CC)CC(=O)Nc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000809780533 887831132 /nfs/dbraw/zinc/83/11/32/887831132.db2.gz AYPOSTUIZZANAX-UHFFFAOYSA-N 0 1 391.899 3.947 20 10 GHCDMN C[C@H](NCc1cc(Br)cc(Br)c1O)C(F)(F)F ZINC000809783548 887835149 /nfs/dbraw/zinc/83/51/49/887835149.db2.gz HUGFAOAHCNZJMC-YFKPBYRVSA-N 0 1 376.998 3.958 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccc(OC(F)F)cc3F)cc2F)CC1 ZINC000865427163 888344240 /nfs/dbraw/zinc/34/42/40/888344240.db2.gz PHNBCDBTUJFERL-UHFFFAOYSA-N 0 1 398.400 3.817 20 10 GHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(Br)ccc1[O-] ZINC000810245492 888345997 /nfs/dbraw/zinc/34/59/97/888345997.db2.gz CUVPXJKELKOEPI-IRWQIABSSA-N 0 1 376.294 3.972 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000120569617 888370431 /nfs/dbraw/zinc/37/04/31/888370431.db2.gz CBRJMFHNQYUWPZ-UHFFFAOYSA-N 0 1 395.459 3.852 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC000865686254 888516220 /nfs/dbraw/zinc/51/62/20/888516220.db2.gz JJTIWUYHEMQXPN-UHFFFAOYSA-N 0 1 397.548 3.686 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866436013 888876353 /nfs/dbraw/zinc/87/63/53/888876353.db2.gz IUCNMRBFTUYRDM-YPMHNXCESA-N 0 1 393.207 3.591 20 10 GHCDMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000916644888 889276084 /nfs/dbraw/zinc/27/60/84/889276084.db2.gz AROYEJKTFDYFBI-UHFFFAOYSA-N 0 1 393.453 3.933 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)o3)cc2)CC1 ZINC001132899615 889767763 /nfs/dbraw/zinc/76/77/63/889767763.db2.gz ZOUOYSUPRXPOKG-UHFFFAOYSA-N 0 1 375.472 3.628 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803198 889987426 /nfs/dbraw/zinc/98/74/26/889987426.db2.gz IKAHNGMDNQPLAH-INIZCTEOSA-N 0 1 397.862 3.626 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1[O-] ZINC000812741088 890923716 /nfs/dbraw/zinc/92/37/16/890923716.db2.gz QIDQTGKXFGJCSU-YPMHNXCESA-N 0 1 393.256 3.750 20 10 GHCDMN CCCCOCCOCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000825615151 891277661 /nfs/dbraw/zinc/27/76/61/891277661.db2.gz KMNJHMKOZLJEFK-UHFFFAOYSA-N 0 1 377.412 3.823 20 10 GHCDMN CC[C@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275369974 913588751 /nfs/dbraw/zinc/58/87/51/913588751.db2.gz HPCARKTYWPXEJG-MAUKXSAKSA-N 0 1 377.960 3.923 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(C)n1-c1ccccc1 ZINC000778209159 893367290 /nfs/dbraw/zinc/36/72/90/893367290.db2.gz KHULCTNSGLKVEC-VWLOTQADSA-N 0 1 399.494 3.873 20 10 GHCDMN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C1CC1 ZINC000815160059 893498780 /nfs/dbraw/zinc/49/87/80/893498780.db2.gz OIUMDVDMMYJXQR-UHFFFAOYSA-N 0 1 378.520 3.566 20 10 GHCDMN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)[C@H]1C[C@H]1C ZINC000815162109 893500255 /nfs/dbraw/zinc/50/02/55/893500255.db2.gz CUBKYTJEALCZSE-KOSHJBKYSA-N 0 1 392.547 3.812 20 10 GHCDMN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)[C@@H]1C[C@H]1C ZINC000815162106 893500654 /nfs/dbraw/zinc/50/06/54/893500654.db2.gz CUBKYTJEALCZSE-HOYKHHGWSA-N 0 1 392.547 3.812 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000825943704 893512733 /nfs/dbraw/zinc/51/27/33/893512733.db2.gz IOKSTQDJIGHBCH-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000825943704 893512751 /nfs/dbraw/zinc/51/27/51/893512751.db2.gz IOKSTQDJIGHBCH-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854616 913801407 /nfs/dbraw/zinc/80/14/07/913801407.db2.gz YEISRVIZCDRENW-APWZRJJASA-N 0 1 399.491 3.966 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000748049529 894566271 /nfs/dbraw/zinc/56/62/71/894566271.db2.gz GGRWBLIMCFOEID-FQEVSTJZSA-N 0 1 382.476 3.763 20 10 GHCDMN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493294 894861455 /nfs/dbraw/zinc/86/14/55/894861455.db2.gz WEACEMAKABXQOP-QGZVFWFLSA-N 0 1 378.831 3.796 20 10 GHCDMN CC1(C)C(=O)Nc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000816681713 895022640 /nfs/dbraw/zinc/02/26/40/895022640.db2.gz FKRDHKXLCFQYMG-UHFFFAOYSA-N 0 1 379.243 3.859 20 10 GHCDMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000774973311 914311788 /nfs/dbraw/zinc/31/17/88/914311788.db2.gz VLNWBZVFNFPLGB-SFHVURJKSA-N 0 1 383.536 3.849 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000824937741 899898385 /nfs/dbraw/zinc/89/83/85/899898385.db2.gz DDEXSEDVURBTDV-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000824937741 899898387 /nfs/dbraw/zinc/89/83/87/899898387.db2.gz DDEXSEDVURBTDV-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4cccc(F)c34)CC2)cc1 ZINC001136987285 899969298 /nfs/dbraw/zinc/96/92/98/899969298.db2.gz RJKMIPRZMIMQBB-UHFFFAOYSA-N 0 1 383.467 3.654 20 10 GHCDMN C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212634 900606780 /nfs/dbraw/zinc/60/67/80/900606780.db2.gz KLOPZOGSLGDTHG-MFBWXBCUSA-N 0 1 387.461 3.637 20 10 GHCDMN Fc1cc(CNCc2ccccc2OCC(F)F)ccc1N1CCOCC1 ZINC000885926543 900641366 /nfs/dbraw/zinc/64/13/66/900641366.db2.gz FKKRCBFUEOFPCX-UHFFFAOYSA-N 0 1 380.410 3.596 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000886749503 901253973 /nfs/dbraw/zinc/25/39/73/901253973.db2.gz UXPMUPWLTBJWSA-AWEZNQCLSA-N 0 1 387.911 3.598 20 10 GHCDMN O=C([C@@H]1CCC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1)N1CCCCC1 ZINC001144300229 901626347 /nfs/dbraw/zinc/62/63/47/901626347.db2.gz YDVLWLYNIDVRDW-CYBMUJFWSA-N 0 1 399.304 3.518 20 10 GHCDMN CCOCc1cnc2n1CCN(Cc1cc(Br)c(F)cc1O)[C@H]2C ZINC001144301120 901672945 /nfs/dbraw/zinc/67/29/45/901672945.db2.gz JUOFUCRVIHVULI-NSHDSACASA-N 0 1 398.276 3.604 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307893 901699543 /nfs/dbraw/zinc/69/95/43/901699543.db2.gz LBSGSZGKWMFKIN-LLVKDONJSA-N 0 1 388.277 3.848 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(F)c1 ZINC000845924153 902532900 /nfs/dbraw/zinc/53/29/00/902532900.db2.gz HUQAEVDDQZYNNM-UHFFFAOYSA-N 0 1 398.400 3.980 20 10 GHCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1C(F)(F)F ZINC000775036853 914676289 /nfs/dbraw/zinc/67/62/89/914676289.db2.gz GOJSEBRPUFUNMF-UHFFFAOYSA-N 0 1 393.814 3.758 20 10 GHCDMN COc1cccc(C2(NCc3ccc(N(C)C)c(F)c3)CCOCC2)c1F ZINC000775049587 914800019 /nfs/dbraw/zinc/80/00/19/914800019.db2.gz ZVKQSVJHEMLMBD-UHFFFAOYSA-N 0 1 376.447 3.835 20 10 GHCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000779192185 905294131 /nfs/dbraw/zinc/29/41/31/905294131.db2.gz GUPQKISPHLTBQB-LJQANCHMSA-N 0 1 387.277 3.559 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(=O)CC(C)(C)C2)C1 ZINC000628682357 906248818 /nfs/dbraw/zinc/24/88/18/906248818.db2.gz LLSNPINANMVNMZ-UHFFFAOYSA-N 0 1 395.547 3.626 20 10 GHCDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCc3cc(O)c(O)cc3C2)c1F ZINC001173191335 906273257 /nfs/dbraw/zinc/27/32/57/906273257.db2.gz CFWWDYPUHUJBLQ-GFCCVEGCSA-N 0 1 390.411 3.533 20 10 GHCDMN COc1ccc2oc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)cc2c1 ZINC000179144566 906437069 /nfs/dbraw/zinc/43/70/69/906437069.db2.gz ARIXHNHMSFGWHG-BOPFTXTBSA-N 0 1 388.514 3.737 20 10 GHCDMN CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1ccc(Br)cc1[O-])CC2 ZINC001173606047 906558583 /nfs/dbraw/zinc/55/85/83/906558583.db2.gz NTJQZPPQDCAWIU-CSLYMUCUSA-N 0 1 382.298 3.756 20 10 GHCDMN CC(=O)Oc1ccc(C2CCC([NH2+]CC(=O)c3ccc([O-])c(O)c3)CC2)cc1 ZINC001173785834 906709998 /nfs/dbraw/zinc/70/99/98/906709998.db2.gz MHASIYBCTXSAHH-UHFFFAOYSA-N 0 1 383.444 3.522 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000773411815 907235124 /nfs/dbraw/zinc/23/51/24/907235124.db2.gz AEIMBCDOWNRJDS-NRFANRHFSA-N 0 1 395.547 3.729 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000779476031 907259773 /nfs/dbraw/zinc/25/97/73/907259773.db2.gz STZPHUFDEMTUMT-ANGAQGJPSA-N 0 1 388.895 3.964 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000779476036 907259816 /nfs/dbraw/zinc/25/98/16/907259816.db2.gz STZPHUFDEMTUMT-SIKDUDHDSA-N 0 1 388.895 3.964 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109100 907714820 /nfs/dbraw/zinc/71/48/20/907714820.db2.gz FZBKMNMDMWBZAY-OLZOCXBDSA-N 0 1 382.913 3.708 20 10 GHCDMN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000186373768 907915473 /nfs/dbraw/zinc/91/54/73/907915473.db2.gz SUOCNEGEGHKLRH-LBPRGKRZSA-N 0 1 398.322 3.799 20 10 GHCDMN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192932410 908022868 /nfs/dbraw/zinc/02/28/68/908022868.db2.gz BJIWDVDZJAIFEJ-INIZCTEOSA-N 0 1 375.310 3.766 20 10 GHCDMN CN1CCN(Cc2cccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])c2)CC1 ZINC001177637366 908684035 /nfs/dbraw/zinc/68/40/35/908684035.db2.gz MUSCLZBJNMREGK-UHFFFAOYSA-N 0 1 394.346 3.736 20 10 GHCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000193966620 908819792 /nfs/dbraw/zinc/81/97/92/908819792.db2.gz VZKSJJTZVQYTFJ-SECBINFHSA-N 0 1 376.363 3.664 20 10 GHCDMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001180092799 909913650 /nfs/dbraw/zinc/91/36/50/909913650.db2.gz NXAAPFFSHQOZSZ-QGZVFWFLSA-N 0 1 376.859 3.969 20 10 GHCDMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154271 909992848 /nfs/dbraw/zinc/99/28/48/909992848.db2.gz PVWFHKCZDZOIHT-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154271 909992850 /nfs/dbraw/zinc/99/28/50/909992850.db2.gz PVWFHKCZDZOIHT-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN COc1cc(CN2CCN([C@@H](C)c3cccnc3)CC2)c(O)c(C(C)(C)C)c1 ZINC001180233547 910035390 /nfs/dbraw/zinc/03/53/90/910035390.db2.gz FZHJJQXDAOSEGD-KRWDZBQOSA-N 0 1 383.536 3.972 20 10 GHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269057639 910122530 /nfs/dbraw/zinc/12/25/30/910122530.db2.gz WYUOZWXARATTMD-LBPRGKRZSA-N 0 1 386.439 3.739 20 10 GHCDMN CCN(C)c1ccc(CN(CCO)Cc2ccc(Br)s2)cc1 ZINC000773887175 910451940 /nfs/dbraw/zinc/45/19/40/910451940.db2.gz CLTABUSYIDKVCT-UHFFFAOYSA-N 0 1 383.355 3.961 20 10 GHCDMN O=C(OC[C@@H]1CCCCN1Cc1c(O)cccc1Br)N1CCCC1 ZINC001181645610 910874223 /nfs/dbraw/zinc/87/42/23/910874223.db2.gz FOVAXDFTKHRQPZ-AWEZNQCLSA-N 0 1 397.313 3.742 20 10 GHCDMN O=C(OC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br)N1CCCC1 ZINC001181645610 910874235 /nfs/dbraw/zinc/87/42/35/910874235.db2.gz FOVAXDFTKHRQPZ-AWEZNQCLSA-N 0 1 397.313 3.742 20 10 GHCDMN O=C(OC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br)N1CCCC1 ZINC001181645610 910874239 /nfs/dbraw/zinc/87/42/39/910874239.db2.gz FOVAXDFTKHRQPZ-AWEZNQCLSA-N 0 1 397.313 3.742 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CN[C@@H](c3nnc[nH]3)c3cccnc3)cc2Cl)C1 ZINC000284865061 912060047 /nfs/dbraw/zinc/06/00/47/912060047.db2.gz ASEUEEWJPXEAQW-MGPUTAFESA-N 0 1 396.926 3.969 20 10 GHCDMN CCN(CC)C(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000775179642 916044078 /nfs/dbraw/zinc/04/40/78/916044078.db2.gz CDLBBCACAIKETI-UHFFFAOYSA-N 0 1 380.536 3.533 20 10 GHCDMN CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775498077 918364657 /nfs/dbraw/zinc/36/46/57/918364657.db2.gz GRWWYKVGJFMEJQ-SJKOYZFVSA-N 0 1 382.913 3.756 20 10 GHCDMN O=C(NCC1CCCC1)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275896046 919336025 /nfs/dbraw/zinc/33/60/25/919336025.db2.gz SHBMKPFGBQRRDY-GOSISDBHSA-N 0 1 376.928 3.954 20 10 GHCDMN COCCn1cc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cn1 ZINC000800277501 919831193 /nfs/dbraw/zinc/83/11/93/919831193.db2.gz XGZANMUGBXKGCZ-INIZCTEOSA-N 0 1 376.932 3.709 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccsc3)cc2F)CC1 ZINC000801066401 920753958 /nfs/dbraw/zinc/75/39/58/920753958.db2.gz UFSOKZBRIITMHB-OAHLLOKOSA-N 0 1 390.528 3.590 20 10 GHCDMN CC[C@@H](C)N1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276076915 925236004 /nfs/dbraw/zinc/23/60/04/925236004.db2.gz ACNJFFMTJKQQLR-CQSZACIVSA-N 0 1 395.341 3.768 20 10 GHCDMN Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749510937 927160072 /nfs/dbraw/zinc/16/00/72/927160072.db2.gz JPYKHZHOIVBQAV-NRFANRHFSA-N 0 1 395.547 3.505 20 10 GHCDMN CCC(CC)N(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C1CC1 ZINC000749567970 927191497 /nfs/dbraw/zinc/19/14/97/927191497.db2.gz SVVFLROHTJHQSE-UHFFFAOYSA-N 0 1 390.547 3.830 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(Cl)nc1 ZINC000751503609 928226258 /nfs/dbraw/zinc/22/62/58/928226258.db2.gz QRHCRZMIASBHOR-UHFFFAOYSA-N 0 1 385.817 3.880 20 10 GHCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Br)cc(OC)c2O)n[nH]1 ZINC000752930030 929096236 /nfs/dbraw/zinc/09/62/36/929096236.db2.gz VKOBCCHLDDXUNX-NXEZZACHSA-N 0 1 383.290 3.646 20 10 GHCDMN CCN(CC)c1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000758516402 930067533 /nfs/dbraw/zinc/06/75/33/930067533.db2.gz UKFNFSCUUGOVRU-UHFFFAOYSA-N 0 1 380.941 3.880 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000758526465 930071808 /nfs/dbraw/zinc/07/18/08/930071808.db2.gz SKALCFNZTXNPDB-ZDUSSCGKSA-N 0 1 384.701 3.749 20 10 GHCDMN Cc1noc(C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])c2ccccc2)n1 ZINC000758612123 930102914 /nfs/dbraw/zinc/10/29/14/930102914.db2.gz CLGDGFXUOHXSMG-MRXNPFEDSA-N 0 1 388.265 3.920 20 10 GHCDMN COc1ccccc1CN(C)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759692511 930454893 /nfs/dbraw/zinc/45/48/93/930454893.db2.gz OHVBOHYISVNTAF-UHFFFAOYSA-N 0 1 395.547 3.776 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000780934871 930644346 /nfs/dbraw/zinc/64/43/46/930644346.db2.gz DDDFJHYEFHBPBI-KKMIYCERSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000780934871 930644349 /nfs/dbraw/zinc/64/43/49/930644349.db2.gz DDDFJHYEFHBPBI-KKMIYCERSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934871 930644351 /nfs/dbraw/zinc/64/43/51/930644351.db2.gz DDDFJHYEFHBPBI-KKMIYCERSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934871 930644354 /nfs/dbraw/zinc/64/43/54/930644354.db2.gz DDDFJHYEFHBPBI-KKMIYCERSA-N 0 1 386.879 3.545 20 10 GHCDMN CC(C)n1cc([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000924907549 931581374 /nfs/dbraw/zinc/58/13/74/931581374.db2.gz RPUMOUCRGQJKNU-CQSZACIVSA-N 0 1 379.455 3.780 20 10 GHCDMN Cc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc2cccnc12 ZINC000783699217 931621991 /nfs/dbraw/zinc/62/19/91/931621991.db2.gz SOEKSZLMKJPCER-ATVHPVEESA-N 0 1 383.542 3.839 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(Br)s1)[C@H](O)CO2 ZINC000784029393 931760625 /nfs/dbraw/zinc/76/06/25/931760625.db2.gz HMZQWVMZPKIZJW-TZMCWYRMSA-N 0 1 396.306 3.979 20 10 GHCDMN O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000797943564 932466463 /nfs/dbraw/zinc/46/64/63/932466463.db2.gz SWQFCAGQAKJFMY-CJNGLKHVSA-N 0 1 386.870 3.952 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799359631 932968643 /nfs/dbraw/zinc/96/86/43/932968643.db2.gz XYFNJDLELBXJPF-OAHLLOKOSA-N 0 1 394.487 3.861 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000799359631 932968644 /nfs/dbraw/zinc/96/86/44/932968644.db2.gz XYFNJDLELBXJPF-OAHLLOKOSA-N 0 1 394.487 3.861 20 10 GHCDMN O=C([O-])CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1 ZINC000843037149 979330691 /nfs/dbraw/zinc/33/06/91/979330691.db2.gz VHDKZGLIMPWBNT-UHFFFAOYSA-N 0 1 394.515 3.705 20 10 GHCDMN CCOc1ccc2c(c1)C[N@H+](Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])CC2 ZINC001597142797 986893002 /nfs/dbraw/zinc/89/30/02/986893002.db2.gz LKOIVSRQOGOVRA-UHFFFAOYSA-N 0 1 382.435 3.973 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)c2cccc(OC)c2)c1O ZINC001227494389 1032440877 /nfs/dbraw/zinc/44/08/77/1032440877.db2.gz ZSASWBKLJSZGHT-LLVKDONJSA-N 0 1 394.445 3.956 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3cccnc3)c1C2=O ZINC001227993281 1032728819 /nfs/dbraw/zinc/72/88/19/1032728819.db2.gz AGCXXIDRNFPQKI-LBPRGKRZSA-N 0 1 375.380 3.717 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(=O)[nH]c3)no2)C1 ZINC000565098789 1019153132 /nfs/dbraw/zinc/15/31/32/1019153132.db2.gz PEMQPBRGFDDKAO-UHFFFAOYSA-N 0 1 389.459 3.607 20 10 GHCDMN COc1ccccc1[C@H](C)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228516345 1032967348 /nfs/dbraw/zinc/96/73/48/1032967348.db2.gz LBMFHCDUOSZJTE-LBPRGKRZSA-N 0 1 396.395 3.889 20 10 GHCDMN OC1CCN(c2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC001140283903 1021314476 /nfs/dbraw/zinc/31/44/76/1021314476.db2.gz GBRNINTUPDZEEX-UHFFFAOYSA-N 0 1 385.939 3.623 20 10 GHCDMN COc1cccc([C@H]2CSCCN2Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001140286711 1021318297 /nfs/dbraw/zinc/31/82/97/1021318297.db2.gz BLWZDBSAQPNEEB-HSZRJFAPSA-N 0 1 398.572 3.946 20 10 GHCDMN C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccsc1 ZINC000801570670 1021411256 /nfs/dbraw/zinc/41/12/56/1021411256.db2.gz PKBHKTGBFMNMGC-ZDUSSCGKSA-N 0 1 390.464 3.813 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])CCO[C@@H]2C1 ZINC001140462410 1021754109 /nfs/dbraw/zinc/75/41/09/1021754109.db2.gz FYQWHPCVAJISRB-CRAIPNDOSA-N 0 1 396.915 3.503 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])CCO[C@@H]2C1 ZINC001140462410 1021754124 /nfs/dbraw/zinc/75/41/24/1021754124.db2.gz FYQWHPCVAJISRB-CRAIPNDOSA-N 0 1 396.915 3.503 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140465744 1021760579 /nfs/dbraw/zinc/76/05/79/1021760579.db2.gz TWOFQZLCBDDYCR-GGPKGHCWSA-N 0 1 376.884 3.502 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140465744 1021760595 /nfs/dbraw/zinc/76/05/95/1021760595.db2.gz TWOFQZLCBDDYCR-GGPKGHCWSA-N 0 1 376.884 3.502 20 10 GHCDMN CSCC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835037337 1021794178 /nfs/dbraw/zinc/79/41/78/1021794178.db2.gz VDDCNEDVFQVHKT-GHOSXJJBSA-N 0 1 381.549 3.893 20 10 GHCDMN Cc1cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)ccc1O ZINC001140579648 1021998508 /nfs/dbraw/zinc/99/85/08/1021998508.db2.gz BKVAJCNCLYHEOC-UHFFFAOYSA-N 0 1 389.499 3.997 20 10 GHCDMN Cc1ccc(O)c(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1 ZINC001140620402 1022091316 /nfs/dbraw/zinc/09/13/16/1022091316.db2.gz NAWYMJWLQHIPSA-FQEVSTJZSA-N 0 1 381.520 3.833 20 10 GHCDMN COC1CCN(c2ccc(CN(C)CC(=O)N(C)C3CCCCC3)cc2)CC1 ZINC000827426571 1022165385 /nfs/dbraw/zinc/16/53/85/1022165385.db2.gz VPWBFPKCXGQYDT-UHFFFAOYSA-N 0 1 387.568 3.525 20 10 GHCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC(OCc2ccccc2)CC1 ZINC001140661451 1022198126 /nfs/dbraw/zinc/19/81/26/1022198126.db2.gz FHXNOFOTKQFAEZ-UHFFFAOYSA-N 0 1 384.495 3.844 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2c1cnn2CC ZINC001140853076 1022703307 /nfs/dbraw/zinc/70/33/07/1022703307.db2.gz LIYKFGVFKFQSQH-SFHVURJKSA-N 0 1 386.540 3.591 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(CCCN3c3ncccn3)CC2)c(Cl)c1 ZINC001140921409 1022886339 /nfs/dbraw/zinc/88/63/39/1022886339.db2.gz BTMMHGOZLLYBBY-UHFFFAOYSA-N 0 1 385.943 3.831 20 10 GHCDMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000755983333 1023464891 /nfs/dbraw/zinc/46/48/91/1023464891.db2.gz MMYMUFJMZKBXOU-UHFFFAOYSA-N 0 1 381.425 3.551 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756479537 1023678170 /nfs/dbraw/zinc/67/81/70/1023678170.db2.gz NPQDPIYHVATKNB-CQSZACIVSA-N 0 1 391.309 3.854 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000756505942 1023688318 /nfs/dbraw/zinc/68/83/18/1023688318.db2.gz YSNIIYXLOMYEQI-VHSXEESVSA-N 0 1 394.151 3.908 20 10 GHCDMN C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(Br)cc1[O-] ZINC000756707550 1023782947 /nfs/dbraw/zinc/78/29/47/1023782947.db2.gz IXJKBNZQNCIBQF-ZDUSSCGKSA-N 0 1 395.341 3.987 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126455 1024171077 /nfs/dbraw/zinc/17/10/77/1024171077.db2.gz BGOMLXMUJBXSBU-UHFFFAOYSA-N 0 1 378.451 3.652 20 10 GHCDMN COC(=O)c1ccc2c(CN3CCN(c4ccc(OC)cc4C)CC3)c[nH]c2c1 ZINC001138268840 1024509958 /nfs/dbraw/zinc/50/99/58/1024509958.db2.gz KECXERSTHCPVCM-UHFFFAOYSA-N 0 1 393.487 3.594 20 10 GHCDMN CN1CCCc2cc(CN3CCN(Cc4ccncc4)c4ncccc4C3)ccc21 ZINC001138357901 1024722801 /nfs/dbraw/zinc/72/28/01/1024722801.db2.gz XRRFCYBUDXCCEM-UHFFFAOYSA-N 0 1 399.542 3.881 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(OC)c1 ZINC001138385861 1024756941 /nfs/dbraw/zinc/75/69/41/1024756941.db2.gz BDGORNGGQIUNAH-ROUUACIJSA-N 0 1 392.437 3.769 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)CC(C)C)CC2)c(OC)c1 ZINC001138388819 1024764540 /nfs/dbraw/zinc/76/45/40/1024764540.db2.gz FOVVICFBTVGSBV-UHFFFAOYSA-N 0 1 375.557 3.668 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001138392153 1024769127 /nfs/dbraw/zinc/76/91/27/1024769127.db2.gz SGZMZJKZWZWACU-FQEVSTJZSA-N 0 1 384.524 3.683 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc2c(n1)CCC2 ZINC000838904754 1025430095 /nfs/dbraw/zinc/43/00/95/1025430095.db2.gz RITZRVCKFZYRAK-UHFFFAOYSA-N 0 1 391.437 3.716 20 10 GHCDMN Brc1cc(CNCc2n[nH]c(C3CC3)n2)ccc1N1CCCCC1 ZINC000839123446 1025617472 /nfs/dbraw/zinc/61/74/72/1025617472.db2.gz MFDBUUIJIRSJKK-UHFFFAOYSA-N 0 1 390.329 3.725 20 10 GHCDMN COc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc1Cl ZINC000839146659 1025642209 /nfs/dbraw/zinc/64/22/09/1025642209.db2.gz PZOPAEQZTSNRLN-UHFFFAOYSA-N 0 1 382.838 3.753 20 10 GHCDMN COc1ccc2oc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)cc2c1 ZINC000839146370 1025643394 /nfs/dbraw/zinc/64/33/94/1025643394.db2.gz FQWWUNAGAFUYDL-UHFFFAOYSA-N 0 1 388.414 3.846 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839188011 1025702573 /nfs/dbraw/zinc/70/25/73/1025702573.db2.gz UDOZPADHKHBDBW-RNCFNFMXSA-N 0 1 391.103 3.528 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839188011 1025702586 /nfs/dbraw/zinc/70/25/86/1025702586.db2.gz UDOZPADHKHBDBW-RNCFNFMXSA-N 0 1 391.103 3.528 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001139129341 1025941360 /nfs/dbraw/zinc/94/13/60/1025941360.db2.gz WOSSTRXBWYRNRW-QGZVFWFLSA-N 0 1 378.472 3.686 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001139133197 1025944763 /nfs/dbraw/zinc/94/47/63/1025944763.db2.gz DVFDXLRCPDLXOL-UHFFFAOYSA-N 0 1 375.428 3.625 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1Cc2cnc(-c3ccccc3)nc2C1 ZINC001139133764 1025946513 /nfs/dbraw/zinc/94/65/13/1025946513.db2.gz PCWUJTOOVVMVCI-UHFFFAOYSA-N 0 1 385.423 3.780 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001139134013 1025947549 /nfs/dbraw/zinc/94/75/49/1025947549.db2.gz VQTXWUWAXKRBLF-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001139134013 1025947560 /nfs/dbraw/zinc/94/75/60/1025947560.db2.gz VQTXWUWAXKRBLF-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001139134013 1025947565 /nfs/dbraw/zinc/94/75/65/1025947565.db2.gz VQTXWUWAXKRBLF-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ncc(C)s4)C3)C2)cc1 ZINC001139809376 1026634213 /nfs/dbraw/zinc/63/42/13/1026634213.db2.gz WKBMVEQDDNIZSU-NRFANRHFSA-N 0 1 387.549 3.579 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cc4ccccc4n3C)CC2)cc1 ZINC001139872596 1026688986 /nfs/dbraw/zinc/68/89/86/1026688986.db2.gz SEUAEMBOYFLGOX-UHFFFAOYSA-N 0 1 379.504 3.526 20 10 GHCDMN Cc1ccc(C2(O)CC[NH+](Cc3c([O-])cccc3Br)CC2)cc1 ZINC001140098946 1026876256 /nfs/dbraw/zinc/87/62/56/1026876256.db2.gz UUPCRBJGXWXHAB-UHFFFAOYSA-N 0 1 376.294 3.947 20 10 GHCDMN Cc1ccc(C)c(CN2CCO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001140178472 1026951384 /nfs/dbraw/zinc/95/13/84/1026951384.db2.gz MHZWJNLHKNQSPM-JOCHJYFZSA-N 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20 10 GHCDMN O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1c(F)ccc(O)c1O ZINC001472538498 1073539428 /nfs/dbraw/zinc/53/94/28/1073539428.db2.gz TUXIQHCLBBHTRB-UHFFFAOYSA-N 0 1 382.178 3.982 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC001479185780 1079141098 /nfs/dbraw/zinc/14/10/98/1079141098.db2.gz UBNVUMNMKNUQIH-FQEVSTJZSA-N 0 1 384.549 3.547 20 10 GHCDMN COc1ccc(N(C)CCN(C)[C@H]2CCCN(c3cc(C)ccc3F)C2=O)cc1 ZINC001473610664 1074046516 /nfs/dbraw/zinc/04/65/16/1074046516.db2.gz REDOKVMDSPMBRM-NRFANRHFSA-N 0 1 399.510 3.706 20 10 GHCDMN CC(C)n1c(CNCc2ccc(N3CCC(O)CC3)cc2)nc2ccccc21 ZINC001474219283 1074297814 /nfs/dbraw/zinc/29/78/14/1074297814.db2.gz YNMXPIKHZRSOGV-UHFFFAOYSA-N 0 1 378.520 3.868 20 10 GHCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001474723749 1074534097 /nfs/dbraw/zinc/53/40/97/1074534097.db2.gz IAQMRACCPQJPPG-OAHLLOKOSA-N 0 1 394.487 3.522 20 10 GHCDMN Cc1csc(CCNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000683464050 837398196 /nfs/dbraw/zinc/39/81/96/837398196.db2.gz BLOFBXXMWODUSZ-UHFFFAOYSA-N 0 1 396.560 3.532 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278493296 835222422 /nfs/dbraw/zinc/22/24/22/835222422.db2.gz LXXQALQGAPCOAQ-SJLPKXTDSA-N 0 1 390.411 3.800 20 10 GHCDMN CN(Cc1nccn1CC(F)(F)F)Cc1cc(Br)cc(F)c1O ZINC000893998040 844325792 /nfs/dbraw/zinc/32/57/92/844325792.db2.gz BLKTYWDZISXXOZ-UHFFFAOYSA-N 0 1 396.182 3.685 20 10 GHCDMN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000378404261 839057290 /nfs/dbraw/zinc/05/72/90/839057290.db2.gz OVJHWAWXPUBGHN-BEFAXECRSA-N 0 1 386.467 3.845 20 10 GHCDMN COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCCC(C)C ZINC000728697099 839377423 /nfs/dbraw/zinc/37/74/23/839377423.db2.gz KBUAXNKWVRHVGK-QGOAFFKASA-N 0 1 380.444 3.582 20 10 GHCDMN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)cc3[O-])CC2)n[nH]1 ZINC000275878986 839504307 /nfs/dbraw/zinc/50/43/07/839504307.db2.gz KSISDTSUEXQIAW-LBPRGKRZSA-N 0 1 379.302 3.506 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc(-c4ccccn4)n3)cc2)CC1 ZINC001167431011 840032952 /nfs/dbraw/zinc/03/29/52/840032952.db2.gz BFLGEOKYZHJQII-UHFFFAOYSA-N 0 1 394.910 3.556 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1c([O-])cccc1Br)C2 ZINC000706872674 841035337 /nfs/dbraw/zinc/03/53/37/841035337.db2.gz LNSZYBKIFMBNSC-UHFFFAOYSA-N 0 1 397.313 3.644 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000781900378 841316572 /nfs/dbraw/zinc/31/65/72/841316572.db2.gz JCXLTZOYSURNHQ-YQQAZPJKSA-N 0 1 397.357 3.537 20 10 GHCDMN CCCOc1ccc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000280687617 846500346 /nfs/dbraw/zinc/50/03/46/846500346.db2.gz ODXLALDOWWRYEJ-HRAATJIYSA-N 0 1 391.533 3.753 20 10 GHCDMN COc1ccc(NC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000731853022 861909370 /nfs/dbraw/zinc/90/93/70/861909370.db2.gz WESXFAYXFXYKDQ-KRWDZBQOSA-N 0 1 389.883 3.840 20 10 GHCDMN Cc1cccc(C(=O)N2CCC[N@H+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000913066868 853035332 /nfs/dbraw/zinc/03/53/32/853035332.db2.gz KXDBVSPIWWTDQU-UHFFFAOYSA-N 0 1 375.472 3.597 20 10 GHCDMN Cc1cccc(C(=O)N2CCC[N@@H+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000913066868 853035336 /nfs/dbraw/zinc/03/53/36/853035336.db2.gz KXDBVSPIWWTDQU-UHFFFAOYSA-N 0 1 375.472 3.597 20 10 GHCDMN COC(=O)CCn1nc(C)c(CN(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000156479918 853810634 /nfs/dbraw/zinc/81/06/34/853810634.db2.gz DIBWASZSNBGGOO-UHFFFAOYSA-N 0 1 398.551 3.685 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(CCO)c2)C1 ZINC000654425822 858916102 /nfs/dbraw/zinc/91/61/02/858916102.db2.gz IZAMARNZKTWGRC-UHFFFAOYSA-N 0 1 391.515 3.581 20 10 GHCDMN Cc1cccc(NC2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000152998230 881367910 /nfs/dbraw/zinc/36/79/10/881367910.db2.gz BCDBUMWFAKSSEG-UHFFFAOYSA-N 0 1 394.563 3.596 20 10 GHCDMN CCOc1ccc(N2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC001170354385 881394822 /nfs/dbraw/zinc/39/48/22/881394822.db2.gz KFVHWZRTYWXZNS-QGZVFWFLSA-N 0 1 399.491 3.755 20 10 GHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000765117203 859790425 /nfs/dbraw/zinc/79/04/25/859790425.db2.gz CEEMPDIWBRQRJD-FQEVSTJZSA-N 0 1 386.467 3.674 20 10 GHCDMN CCCCC[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730112318 860878069 /nfs/dbraw/zinc/87/80/69/860878069.db2.gz YYCKWFAAHWOVBB-QGZVFWFLSA-N 0 1 378.536 3.736 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)Nc3ccc(C)cc3)cc2F)CC1 ZINC000730155534 860902320 /nfs/dbraw/zinc/90/23/20/860902320.db2.gz CSGHAUCNZVZPJM-UHFFFAOYSA-N 0 1 386.540 3.763 20 10 GHCDMN O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1cccc2nsnc21 ZINC000603681024 861034046 /nfs/dbraw/zinc/03/40/46/861034046.db2.gz SIEXKGKQZKZCEI-UHFFFAOYSA-N 0 1 384.442 3.679 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncnc4c(F)cccc34)cc2F)CC1 ZINC000302882894 865972424 /nfs/dbraw/zinc/97/24/24/865972424.db2.gz JDWHXDYGADBYKE-UHFFFAOYSA-N 0 1 383.446 3.662 20 10 GHCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000862387267 886341417 /nfs/dbraw/zinc/34/14/17/886341417.db2.gz JHZYYLTVUZSVFV-SECBINFHSA-N 0 1 381.108 3.510 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)CCC(C)(C)C)CC2)cc1 ZINC001124515798 866616453 /nfs/dbraw/zinc/61/64/53/866616453.db2.gz GZFXDQKGOSTLBM-LJQANCHMSA-N 0 1 389.584 3.786 20 10 GHCDMN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710787 866746263 /nfs/dbraw/zinc/74/62/63/866746263.db2.gz IEUXCFJYQAPHGI-KRWDZBQOSA-N 0 1 395.503 3.865 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000742384780 867250558 /nfs/dbraw/zinc/25/05/58/867250558.db2.gz NDWXXGQHUWDHEG-MRXNPFEDSA-N 0 1 399.445 3.627 20 10 GHCDMN Cc1cc(O)c(CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cc1C ZINC000743382131 868135807 /nfs/dbraw/zinc/13/58/07/868135807.db2.gz FTSSMJDVGASXIX-KRWDZBQOSA-N 0 1 386.923 3.938 20 10 GHCDMN CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cc(Br)ccc1O ZINC000743874121 868471953 /nfs/dbraw/zinc/47/19/53/868471953.db2.gz SPOGQOBZOAWDOI-KBPBESRZSA-N 0 1 383.330 3.766 20 10 GHCDMN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)c(Br)c1 ZINC000793585656 882292198 /nfs/dbraw/zinc/29/21/98/882292198.db2.gz ZKWUBUJTAUCQBG-UHFFFAOYSA-N 0 1 391.309 3.900 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](CC(C)C)C2CCCC2)c1 ZINC000746055819 869983680 /nfs/dbraw/zinc/98/36/80/869983680.db2.gz GYKMCNZKOPJWJR-UHFFFAOYSA-N 0 1 388.552 3.828 20 10 GHCDMN CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cc(Br)ccc1[O-] ZINC000775522871 870299382 /nfs/dbraw/zinc/29/93/82/870299382.db2.gz CPKCRMJCJIVWRF-WBVHZDCISA-N 0 1 383.330 3.842 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525578 870380460 /nfs/dbraw/zinc/38/04/60/870380460.db2.gz XADZRYYCQSAWNY-RBUKOAKNSA-N 0 1 388.895 3.896 20 10 GHCDMN CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1O ZINC000775545178 870618733 /nfs/dbraw/zinc/61/87/33/870618733.db2.gz DBNRHKCUPYHHSB-CQSZACIVSA-N 0 1 383.279 3.737 20 10 GHCDMN CC(C)N(C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001193612737 871187065 /nfs/dbraw/zinc/18/70/65/871187065.db2.gz SDOREBUYZHSWKW-ZDUSSCGKSA-N 0 1 398.887 3.611 20 10 GHCDMN Cn1c(CNC(=O)c2cc(O)c(O)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 ZINC001193625291 871196579 /nfs/dbraw/zinc/19/65/79/871196579.db2.gz GRZIHVNABKYLFD-UHFFFAOYSA-N 0 1 399.756 3.587 20 10 GHCDMN COc1ccc(O)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000775645709 872239144 /nfs/dbraw/zinc/23/91/44/872239144.db2.gz FWHWVGIKZRJKAV-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN CC[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000775648013 872274363 /nfs/dbraw/zinc/27/43/63/872274363.db2.gz MGJCQUUTSULVNG-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN COC(=O)c1ccc(-c2nc(CN[C@@H](C)c3cc(OC)ccc3O)co2)cc1 ZINC000182434634 872343018 /nfs/dbraw/zinc/34/30/18/872343018.db2.gz QEZGCOVBOIVPFY-ZDUSSCGKSA-N 0 1 382.416 3.693 20 10 GHCDMN Cc1cc(Br)cc([C@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1O ZINC000857875671 882605177 /nfs/dbraw/zinc/60/51/77/882605177.db2.gz XUVNNYPJEKIFLP-YVEFUNNKSA-N 0 1 389.293 3.827 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1O ZINC000767482056 872565977 /nfs/dbraw/zinc/56/59/77/872565977.db2.gz DZJWOQDVBMDSCR-GOSISDBHSA-N 0 1 380.423 3.856 20 10 GHCDMN Cn1ccnc1C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000742387647 872909685 /nfs/dbraw/zinc/90/96/85/872909685.db2.gz IRTSMXMHFXSKFT-QGZVFWFLSA-N 0 1 386.293 3.962 20 10 GHCDMN COc1cc2c(c(CN(Cc3ccccc3O)C[C@H]3CCCO3)c1)O[C@@H](C)C2 ZINC000768162072 873122827 /nfs/dbraw/zinc/12/28/27/873122827.db2.gz KNSRWZCOVQYLED-OXJNMPFZSA-N 0 1 383.488 3.905 20 10 GHCDMN Fc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1N1CCOCC1 ZINC000769316646 873962132 /nfs/dbraw/zinc/96/21/32/873962132.db2.gz MUGNOSDWTXLSSK-IBGZPJMESA-N 0 1 384.451 3.728 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769425965 874045653 /nfs/dbraw/zinc/04/56/53/874045653.db2.gz RUSLLSYCXZABCP-FZMZJTMJSA-N 0 1 399.875 3.689 20 10 GHCDMN COc1cccc(O)c1CN1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000769428887 874051981 /nfs/dbraw/zinc/05/19/81/874051981.db2.gz VJORZMCZWNAQKI-UHFFFAOYSA-N 0 1 379.378 3.913 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000769468388 874091260 /nfs/dbraw/zinc/09/12/60/874091260.db2.gz HFKMLUHCLGOZFK-NRFANRHFSA-N 0 1 386.561 3.580 20 10 GHCDMN CN(C)c1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000769475199 874095872 /nfs/dbraw/zinc/09/58/72/874095872.db2.gz VLROGLXFAYFTOQ-OAQYLSRUSA-N 0 1 379.504 3.681 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCOCC(F)(F)F)C1 ZINC000769665590 874222397 /nfs/dbraw/zinc/22/23/97/874222397.db2.gz VEIOTRYWHFBNCE-UHFFFAOYSA-N 0 1 398.425 3.530 20 10 GHCDMN Cc1n[nH]c(CCNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)n1 ZINC000769774683 874271361 /nfs/dbraw/zinc/27/13/61/874271361.db2.gz ITRALCRJIDMILM-UHFFFAOYSA-N 0 1 377.452 3.567 20 10 GHCDMN O=C1CCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858089419 882833536 /nfs/dbraw/zinc/83/35/36/882833536.db2.gz RRIOFFPEOLJAAI-UHFFFAOYSA-N 0 1 375.266 3.571 20 10 GHCDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378091 874618580 /nfs/dbraw/zinc/61/85/80/874618580.db2.gz GRVMBTIQEJBFIZ-BXUZGUMPSA-N 0 1 399.875 3.831 20 10 GHCDMN CCOc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(F)cc1OC ZINC000858108364 882853651 /nfs/dbraw/zinc/85/36/51/882853651.db2.gz DCDUHYGKNXYNLB-MRXNPFEDSA-N 0 1 388.483 3.920 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000858131379 882868022 /nfs/dbraw/zinc/86/80/22/882868022.db2.gz SZMAXVYJCMABHR-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN CN(C)c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055375 875013094 /nfs/dbraw/zinc/01/30/94/875013094.db2.gz CATHRIBBVLZCRD-SFHVURJKSA-N 0 1 387.911 3.506 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc2ccccc21 ZINC000771060727 875015769 /nfs/dbraw/zinc/01/57/69/875015769.db2.gz YNLFAHPLYSCDKA-SFHVURJKSA-N 0 1 395.890 3.988 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000858158345 882895427 /nfs/dbraw/zinc/89/54/27/882895427.db2.gz HEQOECJPLBAROY-IINYFYTJSA-N 0 1 382.220 3.728 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691486649 875165301 /nfs/dbraw/zinc/16/53/01/875165301.db2.gz BLOZLWJREGYMJA-SWLSCSKDSA-N 0 1 399.329 3.938 20 10 GHCDMN CN(C)c1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)c(C(F)(F)F)c1 ZINC000858209112 882941643 /nfs/dbraw/zinc/94/16/43/882941643.db2.gz CITQNQSIJMUJBW-CQSZACIVSA-N 0 1 380.336 3.861 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 ZINC001202169792 876041114 /nfs/dbraw/zinc/04/11/14/876041114.db2.gz HMBHJOLIJXVGQJ-UHFFFAOYSA-N 0 1 392.425 3.779 20 10 GHCDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)N(C)C(C)C ZINC000785538772 876093882 /nfs/dbraw/zinc/09/38/82/876093882.db2.gz VKJARUCMEUCIRE-UHFFFAOYSA-N 0 1 394.563 3.839 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCCc3cccs3)cc2F)CC1 ZINC000106702242 876238599 /nfs/dbraw/zinc/23/85/99/876238599.db2.gz ITPSWBZGATZTBY-UHFFFAOYSA-N 0 1 389.540 3.668 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529663604 876480537 /nfs/dbraw/zinc/48/05/37/876480537.db2.gz XZDFAHTUTBMFJP-UHFFFAOYSA-N 0 1 391.899 3.777 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3ccc(C)cc3)CC2)cc1 ZINC000007027490 876512571 /nfs/dbraw/zinc/51/25/71/876512571.db2.gz XRAGUROBYQHZEF-UHFFFAOYSA-N 0 1 398.576 3.502 20 10 GHCDMN Fc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1OC(F)F ZINC000850035187 876619085 /nfs/dbraw/zinc/61/90/85/876619085.db2.gz XNZOLXXUJFFUPG-UHFFFAOYSA-N 0 1 384.373 3.693 20 10 GHCDMN COc1ccc(N2CC[C@@H](CNCc3c(F)cncc3Br)C2)cc1 ZINC000850331406 876816530 /nfs/dbraw/zinc/81/65/30/876816530.db2.gz YIGKVKSPLRCTIQ-ZDUSSCGKSA-N 0 1 394.288 3.608 20 10 GHCDMN CCOc1cc2c(cc1CNCc1ccc(N3CCC(O)CC3)cc1)O[C@@H](C)C2 ZINC000850405543 876886817 /nfs/dbraw/zinc/88/68/17/876886817.db2.gz SPLBRSUSLCMMGZ-KRWDZBQOSA-N 0 1 396.531 3.660 20 10 GHCDMN CCCn1c(CNCc2ccc(N3CCC(O)CC3)cc2)nc2ccccc21 ZINC000850406266 876888181 /nfs/dbraw/zinc/88/81/81/876888181.db2.gz ZFJVVDZTRFMROZ-UHFFFAOYSA-N 0 1 378.520 3.697 20 10 GHCDMN COc1ccc2nc(CNCc3ccc(N4CCC(O)CC4)cc3)sc2c1 ZINC000850406313 876888405 /nfs/dbraw/zinc/88/84/05/876888405.db2.gz BCAZFOQZAPDQKU-UHFFFAOYSA-N 0 1 383.517 3.556 20 10 GHCDMN CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850496508 876972525 /nfs/dbraw/zinc/97/25/25/876972525.db2.gz ORXYKGDAXWUOGP-JNDILOIQSA-N 0 1 377.350 3.763 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc4nc[nH]c4c3)ccc21 ZINC000615789503 878138040 /nfs/dbraw/zinc/13/80/40/878138040.db2.gz KCYXWPRIGRCGRG-UHFFFAOYSA-N 0 1 376.460 3.711 20 10 GHCDMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(C(C)(C)N)no1 ZINC000852883263 878644369 /nfs/dbraw/zinc/64/43/69/878644369.db2.gz WERNQSCCGFBGMY-HNNXBMFYSA-N 0 1 379.460 3.978 20 10 GHCDMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)Cc1ccccc1O ZINC000111235646 878959036 /nfs/dbraw/zinc/95/90/36/878959036.db2.gz YMDBZLBPWFRURT-CQSZACIVSA-N 0 1 391.309 3.634 20 10 GHCDMN Cc1cc(C(=O)NCC(C)C)ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000789891962 879339873 /nfs/dbraw/zinc/33/98/73/879339873.db2.gz ZJVJXMGUHCWKTH-UHFFFAOYSA-N 0 1 394.563 3.745 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001203564814 912459102 /nfs/dbraw/zinc/45/91/02/912459102.db2.gz QBOUBQILIZKTEI-VIRWGQHYSA-N 0 1 379.067 3.707 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000180901005 879470228 /nfs/dbraw/zinc/47/02/28/879470228.db2.gz QUKICFPXEPGMJD-GULCCPCXSA-N 0 1 385.423 3.893 20 10 GHCDMN CC(C)(C)c1cc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000854241792 879653879 /nfs/dbraw/zinc/65/38/79/879653879.db2.gz VTYCSCZOXCKECM-OPAMFIHVSA-N 0 1 375.509 3.520 20 10 GHCDMN O=C([N-][C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000181077898 879673074 /nfs/dbraw/zinc/67/30/74/879673074.db2.gz FZZQYDPJNVIBIW-IAGOWNOFSA-N 0 1 396.384 3.568 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000790411911 879689406 /nfs/dbraw/zinc/68/94/06/879689406.db2.gz 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CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCc2ccccc2NC1=O ZINC000792233670 880994439 /nfs/dbraw/zinc/99/44/39/880994439.db2.gz SHVKZJNVCZUZDV-KRWDZBQOSA-N 0 1 389.293 3.930 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCc2ccccc2NC1=O ZINC000792233670 880994451 /nfs/dbraw/zinc/99/44/51/880994451.db2.gz SHVKZJNVCZUZDV-KRWDZBQOSA-N 0 1 389.293 3.930 20 10 GHCDMN C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000858595233 883222667 /nfs/dbraw/zinc/22/26/67/883222667.db2.gz NZTHGYIOZSZPRT-RHSMWYFYSA-N 0 1 394.309 3.773 20 10 GHCDMN CCCOc1ncccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805117937 883591638 /nfs/dbraw/zinc/59/16/38/883591638.db2.gz IZYYUYVYDIMPQP-UHFFFAOYSA-N 0 1 384.263 3.882 20 10 GHCDMN COc1cccc(O[C@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805156264 883634253 /nfs/dbraw/zinc/63/42/53/883634253.db2.gz ODDWEVJTGUEWSY-LLVKDONJSA-N 0 1 399.274 3.974 20 10 GHCDMN CC(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccnn1C ZINC000805330053 883760089 /nfs/dbraw/zinc/76/00/89/883760089.db2.gz HSTWMDATIJFYOF-CYBMUJFWSA-N 0 1 385.295 3.672 20 10 GHCDMN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1cc(Cl)cc(Cl)c1O ZINC000897768576 884450316 /nfs/dbraw/zinc/45/03/16/884450316.db2.gz CPCJUDHLCRNVDD-CQSZACIVSA-N 0 1 388.291 3.681 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccsc2[nH]1 ZINC000761983462 885087774 /nfs/dbraw/zinc/08/77/74/885087774.db2.gz WPRNICLGLPDHTC-OAHLLOKOSA-N 0 1 389.908 3.983 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000762001689 885163510 /nfs/dbraw/zinc/16/35/10/885163510.db2.gz WRXOECKHEVHIAA-UHFFFAOYSA-N 0 1 398.440 3.699 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C/C=C\c3ccc(F)cc3)cc2F)CC1 ZINC000747384465 885342630 /nfs/dbraw/zinc/34/26/30/885342630.db2.gz VCCPYMUXXBAEHN-ARJAWSKDSA-N 0 1 399.485 3.826 20 10 GHCDMN CCOC(=O)c1csc(C2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000762085818 885360116 /nfs/dbraw/zinc/36/01/16/885360116.db2.gz GLOIADAJZXRXAL-UHFFFAOYSA-N 0 1 397.500 3.953 20 10 GHCDMN Cc1cc(C(=O)COC(=O)c2[nH]nc3c2CCC3)c(C)n1-c1cccc(C)c1 ZINC000919332727 885406103 /nfs/dbraw/zinc/40/61/03/885406103.db2.gz VHYBRZPKIXXGQU-UHFFFAOYSA-N 0 1 377.444 3.654 20 10 GHCDMN CCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC000807511360 885496339 /nfs/dbraw/zinc/49/63/39/885496339.db2.gz LKBYZKHWPLMTSQ-UHFFFAOYSA-N 0 1 397.258 3.661 20 10 GHCDMN COc1c(C)ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807513388 885496773 /nfs/dbraw/zinc/49/67/73/885496773.db2.gz MTACAMGDBODMPL-UHFFFAOYSA-N 0 1 397.258 3.579 20 10 GHCDMN C[N@H+]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H](c2ccccc2)C1 ZINC000861728971 885797199 /nfs/dbraw/zinc/79/71/99/885797199.db2.gz RCHOEUWEMWWLOQ-CVEARBPZSA-N 0 1 379.287 3.661 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cn2cccn2)cc1 ZINC000807833674 885799244 /nfs/dbraw/zinc/79/92/44/885799244.db2.gz DABFELARWWQYOA-UHFFFAOYSA-N 0 1 376.243 3.874 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000807833872 885799377 /nfs/dbraw/zinc/79/93/77/885799377.db2.gz GYIKINOHZRVLSE-VIFPVBQESA-N 0 1 385.213 3.590 20 10 GHCDMN O=C1COc2cc([N+](=O)[O-])c(NCc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC000808088305 886008126 /nfs/dbraw/zinc/00/81/26/886008126.db2.gz DFNKZBHVDWRJEB-UHFFFAOYSA-N 0 1 384.175 3.550 20 10 GHCDMN O=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)c3cccc1c23 ZINC000808114165 886026663 /nfs/dbraw/zinc/02/66/63/886026663.db2.gz SOHLUSQOTPJPRR-UHFFFAOYSA-N 0 1 392.795 3.704 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425932 886311824 /nfs/dbraw/zinc/31/18/24/886311824.db2.gz MBZAVPLKYHCMLE-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN CN1CC[C@H](CNC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762659093 886631415 /nfs/dbraw/zinc/63/14/15/886631415.db2.gz VGBVWNXOLUMQSF-DNVCBOLYSA-N 0 1 391.874 3.677 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531822 887196008 /nfs/dbraw/zinc/19/60/08/887196008.db2.gz FQXNXBDAGAJRIJ-UZLBHIALSA-N 0 1 382.504 3.936 20 10 GHCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC000915685821 887303870 /nfs/dbraw/zinc/30/38/70/887303870.db2.gz MJDXJHDFZBTUGF-OAQYLSRUSA-N 0 1 384.499 3.528 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000809693708 887669910 /nfs/dbraw/zinc/66/99/10/887669910.db2.gz YZJFTXVZLZJSHX-NSHDSACASA-N 0 1 379.092 3.528 20 10 GHCDMN CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000809713296 887733501 /nfs/dbraw/zinc/73/35/01/887733501.db2.gz LWSUMJQGYFOBEN-AAEUAGOBSA-N 0 1 392.240 3.611 20 10 GHCDMN COCCC[N@@H+](Cc1ccncc1)Cc1cc(C)cc(Br)c1[O-] ZINC000809741567 887775369 /nfs/dbraw/zinc/77/53/69/887775369.db2.gz YZBIPMCLODMNTG-UHFFFAOYSA-N 0 1 379.298 3.897 20 10 GHCDMN CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213441 888292217 /nfs/dbraw/zinc/29/22/17/888292217.db2.gz SAWDUNDMVDQPGW-MRXNPFEDSA-N 0 1 387.423 3.926 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240061 888338998 /nfs/dbraw/zinc/33/89/98/888338998.db2.gz NLFVBUQDMBPXOL-KGLIPLIRSA-N 0 1 378.460 3.662 20 10 GHCDMN C[C@@H](NCc1c(Br)cnn1C)c1cc(Br)ccc1O ZINC000866431621 888872949 /nfs/dbraw/zinc/87/29/49/888872949.db2.gz YBCSZTJCNQVDDI-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000868357045 889411876 /nfs/dbraw/zinc/41/18/76/889411876.db2.gz MILRRZWVMVVADI-VIFPVBQESA-N 0 1 387.288 3.898 20 10 GHCDMN Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001132898794 889781228 /nfs/dbraw/zinc/78/12/28/889781228.db2.gz FICZOQUFWXENMY-UHFFFAOYSA-N 0 1 377.488 3.731 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)C(F)(F)c3cccc(Cl)c3)cc2)CC1 ZINC001132898565 889781514 /nfs/dbraw/zinc/78/15/14/889781514.db2.gz CZWUGBZZMTWHMJ-UHFFFAOYSA-N 0 1 393.865 3.500 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000811684212 889871438 /nfs/dbraw/zinc/87/14/38/889871438.db2.gz AYNXXKSFLGOQLZ-UHFFFAOYSA-N 0 1 381.413 3.705 20 10 GHCDMN Cc1cc2cccnc2c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000811704719 889879891 /nfs/dbraw/zinc/87/98/91/889879891.db2.gz JJBLWRDCRKZBLD-UHFFFAOYSA-N 0 1 386.473 3.975 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1O ZINC000811705042 889880346 /nfs/dbraw/zinc/88/03/46/889880346.db2.gz NTZZZILGYWCHIJ-UHFFFAOYSA-N 0 1 399.472 3.575 20 10 GHCDMN Cc1ccc(OCCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001133123773 890258465 /nfs/dbraw/zinc/25/84/65/890258465.db2.gz XBCXZEKXFSTAOG-UHFFFAOYSA-N 0 1 395.547 3.531 20 10 GHCDMN CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000795186576 890971247 /nfs/dbraw/zinc/97/12/47/890971247.db2.gz YHWJLWOVKXSPRG-GOSISDBHSA-N 0 1 394.943 3.579 20 10 GHCDMN O=C([O-])[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000872323218 891237445 /nfs/dbraw/zinc/23/74/45/891237445.db2.gz FEBRTXQJNUBIEU-UONOGXRCSA-N 0 1 394.240 3.594 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000825622382 891308502 /nfs/dbraw/zinc/30/85/02/891308502.db2.gz UPWIUOALAAGQNX-SMDDNHRTSA-N 0 1 382.220 3.728 20 10 GHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])CN(C)C ZINC000813877381 892057977 /nfs/dbraw/zinc/05/79/77/892057977.db2.gz UJBSEGLUTYUGFD-ZJUUUORDSA-N 0 1 394.151 3.766 20 10 GHCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917469897 892062114 /nfs/dbraw/zinc/06/21/14/892062114.db2.gz ZWBBEJUUDOKTFA-INIZCTEOSA-N 0 1 382.504 3.755 20 10 GHCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917469897 892062132 /nfs/dbraw/zinc/06/21/32/892062132.db2.gz ZWBBEJUUDOKTFA-INIZCTEOSA-N 0 1 382.504 3.755 20 10 GHCDMN COc1c([O-])c(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000814169807 892366774 /nfs/dbraw/zinc/36/67/74/892366774.db2.gz MSVNKZDTDDYCCJ-UXHICEINSA-N 0 1 394.427 3.874 20 10 GHCDMN COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825842977 892915982 /nfs/dbraw/zinc/91/59/82/892915982.db2.gz IOXUBPJNEBHISK-KRWDZBQOSA-N 0 1 379.298 3.556 20 10 GHCDMN CN(Cc1ccc(Br)o1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876572323 893234266 /nfs/dbraw/zinc/23/42/66/893234266.db2.gz KIGKIVCRZFTERS-UHFFFAOYSA-N 0 1 379.298 3.635 20 10 GHCDMN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000876761169 893318406 /nfs/dbraw/zinc/31/84/06/893318406.db2.gz ZMAAJYMPVFLDIS-HXOBKFHXSA-N 0 1 384.495 3.749 20 10 GHCDMN COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)cc1O ZINC000876966264 893412012 /nfs/dbraw/zinc/41/20/12/893412012.db2.gz SNNVBBYLBCMTFY-UHFFFAOYSA-N 0 1 390.911 3.553 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1C1CCOCC1 ZINC000934625840 893752605 /nfs/dbraw/zinc/75/26/05/893752605.db2.gz GPOHCPZYDVOKJM-UHFFFAOYSA-N 0 1 385.251 3.569 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774880118 913904279 /nfs/dbraw/zinc/90/42/79/913904279.db2.gz GSXMYOVAQVMXMT-APWZRJJASA-N 0 1 399.491 3.794 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566859 894948850 /nfs/dbraw/zinc/94/88/50/894948850.db2.gz JDJVQFWAYSNYRH-OAHLLOKOSA-N 0 1 398.887 3.591 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816609439 894971611 /nfs/dbraw/zinc/97/16/11/894971611.db2.gz BULPMWXXOIBFFA-QWHCGFSZSA-N 0 1 384.505 3.712 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774910409 914008770 /nfs/dbraw/zinc/00/87/70/914008770.db2.gz WZQFIMZHHLSWMT-PREGVCBESA-N 0 1 378.469 3.869 20 10 GHCDMN CC(C)[C@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817958095 895978409 /nfs/dbraw/zinc/97/84/09/895978409.db2.gz HJZRRCRHAAQFFJ-PRHODGIISA-N 0 1 380.124 3.551 20 10 GHCDMN COc1ccc(N2CC[C@@H](CNCc3ncc(Br)s3)C2)cc1 ZINC000818220213 896086290 /nfs/dbraw/zinc/08/62/90/896086290.db2.gz GOIKEPGIGSLEHR-LBPRGKRZSA-N 0 1 382.327 3.530 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000822080144 898190526 /nfs/dbraw/zinc/19/05/26/898190526.db2.gz LBVVBQFWZLMPLB-UHFFFAOYSA-N 0 1 390.531 3.730 20 10 GHCDMN COC(=O)c1ccc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)o1 ZINC000796305893 914284195 /nfs/dbraw/zinc/28/41/95/914284195.db2.gz AHLSXGWGIFBBEH-UHFFFAOYSA-N 0 1 376.456 3.919 20 10 GHCDMN CCCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823386416 899002944 /nfs/dbraw/zinc/00/29/44/899002944.db2.gz GNIACOMUBJRFFF-LJQANCHMSA-N 0 1 392.590 3.784 20 10 GHCDMN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824565993 899690190 /nfs/dbraw/zinc/69/01/90/899690190.db2.gz ARAOKUKDJXDALB-UHFFFAOYSA-N 0 1 399.329 3.891 20 10 GHCDMN CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824591457 899707883 /nfs/dbraw/zinc/70/78/83/899707883.db2.gz VPKBHZUMTCCCKP-INIZCTEOSA-N 0 1 391.430 3.664 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000824608795 899720049 /nfs/dbraw/zinc/72/00/49/899720049.db2.gz QXMPNNHOWXIFQQ-UHFFFAOYSA-N 0 1 389.293 3.727 20 10 GHCDMN O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825072197 899964039 /nfs/dbraw/zinc/96/40/39/899964039.db2.gz YJIBMNLHULETAP-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000825167964 900007004 /nfs/dbraw/zinc/00/70/04/900007004.db2.gz AFLWXJSCSAEKPN-GOSISDBHSA-N 0 1 386.492 3.661 20 10 GHCDMN COC(=O)CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825215664 900030790 /nfs/dbraw/zinc/03/07/90/900030790.db2.gz TZYBKQIRFMMWAC-MRXNPFEDSA-N 0 1 378.266 3.939 20 10 GHCDMN COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825338245 900101875 /nfs/dbraw/zinc/10/18/75/900101875.db2.gz VOHUABNGLZVOFQ-OAHLLOKOSA-N 0 1 377.282 3.532 20 10 GHCDMN CC(C)(C)n1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000048745177 900764049 /nfs/dbraw/zinc/76/40/49/900764049.db2.gz OLJQVNRRNLUZAI-UHFFFAOYSA-N 0 1 396.457 3.783 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1Cl)c1cncc(Br)c1 ZINC001186411969 914509131 /nfs/dbraw/zinc/50/91/31/914509131.db2.gz NYLKIAMPKCMAQD-UHFFFAOYSA-N 0 1 398.065 3.657 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000778916325 901580889 /nfs/dbraw/zinc/58/08/89/901580889.db2.gz DQFJXTHAFWQQLY-GOSISDBHSA-N 0 1 396.409 3.816 20 10 GHCDMN O=C(C1CCCCC1)N1CCN(Cc2cc(Br)c(F)cc2O)CC1 ZINC001144307865 901698329 /nfs/dbraw/zinc/69/83/29/901698329.db2.gz JLSMFUVLFMLJFO-UHFFFAOYSA-N 0 1 399.304 3.518 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307894 901699662 /nfs/dbraw/zinc/69/96/62/901699662.db2.gz LBSGSZGKWMFKIN-NSHDSACASA-N 0 1 388.277 3.848 20 10 GHCDMN COc1ccc2oc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)cc2c1 ZINC000124218494 902038656 /nfs/dbraw/zinc/03/86/56/902038656.db2.gz XEZHHNWRMQVGQA-UHFFFAOYSA-N 0 1 384.451 3.831 20 10 GHCDMN COc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000845924223 902532869 /nfs/dbraw/zinc/53/28/69/902532869.db2.gz IXHQCAWJVRFLNL-GJZGRUSLSA-N 0 1 376.447 3.877 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000846058716 902615919 /nfs/dbraw/zinc/61/59/19/902615919.db2.gz SHJITSMVENJGGN-UHFFFAOYSA-N 0 1 383.879 3.720 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000846826172 903219023 /nfs/dbraw/zinc/21/90/23/903219023.db2.gz ZYQWSTNLVFBGTR-QFIPXVFZSA-N 0 1 378.472 3.893 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1O ZINC000290518845 914714363 /nfs/dbraw/zinc/71/43/63/914714363.db2.gz MMCVXRBHBOJOCD-UHFFFAOYSA-N 0 1 387.404 3.719 20 10 GHCDMN CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185215338 907733217 /nfs/dbraw/zinc/73/32/17/907733217.db2.gz CKKQKSCAICNTAK-CYBMUJFWSA-N 0 1 383.330 3.842 20 10 GHCDMN CC(=O)N1CCN(c2cccc(NCc3cc(Cl)cc(Cl)c3O)c2)CC1 ZINC000189480792 908330214 /nfs/dbraw/zinc/33/02/14/908330214.db2.gz UVGSLTYHHBWMTP-UHFFFAOYSA-N 0 1 394.302 3.980 20 10 GHCDMN O=C(Cc1ccccc1Cl)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001180257864 910050029 /nfs/dbraw/zinc/05/00/29/910050029.db2.gz IXKYBPCCUQEQFG-UHFFFAOYSA-N 0 1 397.277 3.725 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]1 ZINC000801863734 921555412 /nfs/dbraw/zinc/55/54/12/921555412.db2.gz RLOYNJOKRDFKHB-LJQANCHMSA-N 0 1 392.503 3.759 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC001182441951 911670510 /nfs/dbraw/zinc/67/05/10/911670510.db2.gz DGHQEHUAMIKUQU-OAHLLOKOSA-N 0 1 378.375 3.794 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC001182441951 911670519 /nfs/dbraw/zinc/67/05/19/911670519.db2.gz DGHQEHUAMIKUQU-OAHLLOKOSA-N 0 1 378.375 3.794 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000097476984 915587385 /nfs/dbraw/zinc/58/73/85/915587385.db2.gz YPCLEJHEWNIQHD-INIZCTEOSA-N 0 1 387.911 3.888 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)Cc1ccc(F)cc1F ZINC001189830995 916953751 /nfs/dbraw/zinc/95/37/51/916953751.db2.gz GEHYGSUCMHAEPD-UHFFFAOYSA-N 0 1 388.395 3.533 20 10 GHCDMN CCOC(=O)[C@@H](CCc1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001190445426 917315277 /nfs/dbraw/zinc/31/52/77/917315277.db2.gz HSIRAXIVFSFDES-HSZRJFAPSA-N 0 1 396.531 3.772 20 10 GHCDMN CC(C)[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1nncn1C ZINC000796454785 917450201 /nfs/dbraw/zinc/45/02/01/917450201.db2.gz RNHJTEPUVMXHOA-QFIPXVFZSA-N 0 1 375.520 3.865 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487330 918255770 /nfs/dbraw/zinc/25/57/70/918255770.db2.gz AOLCVAQWOHINQY-SJCJKPOMSA-N 0 1 382.913 3.756 20 10 GHCDMN Oc1ccc2oc3c(c2c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1)CCCC3 ZINC000800853944 920531948 /nfs/dbraw/zinc/53/19/48/920531948.db2.gz DPFWJIWLHSASGN-QGZVFWFLSA-N 0 1 384.520 3.561 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)CCCC3 ZINC000800853944 920531960 /nfs/dbraw/zinc/53/19/60/920531960.db2.gz DPFWJIWLHSASGN-QGZVFWFLSA-N 0 1 384.520 3.561 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1)CCCC3 ZINC000800853944 920531985 /nfs/dbraw/zinc/53/19/85/920531985.db2.gz DPFWJIWLHSASGN-QGZVFWFLSA-N 0 1 384.520 3.561 20 10 GHCDMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000370679769 924253174 /nfs/dbraw/zinc/25/31/74/924253174.db2.gz XUNVBHMOFJIFTR-YWZLYKJASA-N 0 1 386.467 3.845 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000373256657 925969139 /nfs/dbraw/zinc/96/91/39/925969139.db2.gz QUVDEVYVJJKMSE-WBVHZDCISA-N 0 1 375.472 3.574 20 10 GHCDMN CCN(CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1)C1CC1 ZINC000750879417 927915344 /nfs/dbraw/zinc/91/53/44/927915344.db2.gz RPYBDFGOBTXJPP-UHFFFAOYSA-N 0 1 381.520 3.779 20 10 GHCDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(Br)cc(OC)c2O)n[nH]1 ZINC000752930039 929096364 /nfs/dbraw/zinc/09/63/64/929096364.db2.gz VKOBCCHLDDXUNX-ZJUUUORDSA-N 0 1 383.290 3.646 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000758525132 930070475 /nfs/dbraw/zinc/07/04/75/930070475.db2.gz DIMXGLABEATXRD-GFCCVEGCSA-N 0 1 384.701 3.749 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCCSCC1 ZINC000780892533 930629882 /nfs/dbraw/zinc/62/98/82/930629882.db2.gz IIRCBKFXQHGXNI-UHFFFAOYSA-N 0 1 381.133 3.856 20 10 GHCDMN CCOc1ccc(O)c(CN[C@@H](CCO)c2ccccc2Br)c1 ZINC000781639758 930920707 /nfs/dbraw/zinc/92/07/07/930920707.db2.gz UMLUGDLEBVSXAL-KRWDZBQOSA-N 0 1 380.282 3.767 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000781896098 931015260 /nfs/dbraw/zinc/01/52/60/931015260.db2.gz HLOZAZHKZJLMFI-UHFFFAOYSA-N 0 1 389.293 3.727 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000781908791 931023826 /nfs/dbraw/zinc/02/38/26/931023826.db2.gz AHKGDBARELFHAR-LBPRGKRZSA-N 0 1 387.318 3.808 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(Br)s1)[C@@H](O)CO2 ZINC000784029389 931760821 /nfs/dbraw/zinc/76/08/21/931760821.db2.gz HMZQWVMZPKIZJW-JSGCOSHPSA-N 0 1 396.306 3.979 20 10 GHCDMN C[C@@H](NCc1n[nH]c(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000777574395 931912092 /nfs/dbraw/zinc/91/20/92/931912092.db2.gz JEKPSSPINBPSNQ-OAHLLOKOSA-N 0 1 397.910 3.813 20 10 GHCDMN C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ccc(N2CCOCC2)cc1Cl ZINC000777574395 931912099 /nfs/dbraw/zinc/91/20/99/931912099.db2.gz JEKPSSPINBPSNQ-OAHLLOKOSA-N 0 1 397.910 3.813 20 10 GHCDMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Br ZINC000799119974 932881446 /nfs/dbraw/zinc/88/14/46/932881446.db2.gz IEPCRPWJORHECG-UHFFFAOYSA-N 0 1 390.642 3.632 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc2)CC1 ZINC000799348563 932961118 /nfs/dbraw/zinc/96/11/18/932961118.db2.gz HMMUKEBUKHJAIC-DNQXCXABSA-N 0 1 395.547 3.733 20 10 GHCDMN COC1CCN(c2ccc(CN[C@H](c3cnn(C)c3)c3ccccc3)cc2)CC1 ZINC001117756595 934007978 /nfs/dbraw/zinc/00/79/78/934007978.db2.gz HCWFKXFASRDONT-DEOSSOPVSA-N 0 1 390.531 3.915 20 10 GHCDMN Cc1cc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1N(C)C ZINC001139670989 935559920 /nfs/dbraw/zinc/55/99/20/935559920.db2.gz KBJHERWDGHWCHR-UHFFFAOYSA-N 0 1 378.442 3.797 20 10 GHCDMN CCN(CC)c1ccc(CN2CC(C)(c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000828040952 935568171 /nfs/dbraw/zinc/56/81/71/935568171.db2.gz RIGGUQZHLAHOFL-UHFFFAOYSA-N 0 1 377.492 3.751 20 10 GHCDMN Cc1cc(CN2CCCC[C@H]2CCS(C)(=O)=O)ccc1N1CCCCC1 ZINC000829993229 935888156 /nfs/dbraw/zinc/88/81/56/935888156.db2.gz FVLLAGFDZWYSLJ-FQEVSTJZSA-N 0 1 378.582 3.775 20 10 GHCDMN C[C@H](COCc1ccccc1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592775041 979397762 /nfs/dbraw/zinc/39/77/62/979397762.db2.gz CPLUMWKYTAHEAW-HNNXBMFYSA-N 0 1 377.868 3.785 20 10 GHCDMN CCOc1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1O ZINC001597153747 986938160 /nfs/dbraw/zinc/93/81/60/986938160.db2.gz NAKAUCMKNPFPDK-MRXNPFEDSA-N 0 1 394.265 3.811 20 10 GHCDMN CN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598318258 991312682 /nfs/dbraw/zinc/31/26/82/991312682.db2.gz SXZLNPHEKZOWBZ-GOSISDBHSA-N 0 1 378.394 3.955 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001599584291 993591415 /nfs/dbraw/zinc/59/14/15/993591415.db2.gz PECBOWVQQDAGAF-SFHVURJKSA-N 0 1 396.409 3.908 20 10 GHCDMN CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599083345 997047545 /nfs/dbraw/zinc/04/75/45/997047545.db2.gz IAPQHCJCGPODPP-QGZVFWFLSA-N 0 1 388.361 3.559 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)C(C)(C)CC)cc2F)CC1 ZINC001226824867 1032145829 /nfs/dbraw/zinc/14/58/29/1032145829.db2.gz KKUVHQQRQPYVIN-INIZCTEOSA-N 0 1 378.536 3.592 20 10 GHCDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](OC3=CC(=O)C=CC3=NNc3ccccn3)C[C@H]1N2C ZINC001227491535 1032438831 /nfs/dbraw/zinc/43/88/31/1032438831.db2.gz GEHOVPUSRMXMGS-YCEKZFBFSA-N 0 1 396.447 3.748 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2cccc(OC)c2)c1O ZINC001227494390 1032440999 /nfs/dbraw/zinc/44/09/99/1032440999.db2.gz ZSASWBKLJSZGHT-NSHDSACASA-N 0 1 394.445 3.956 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H](C)c2csc(Cl)c2)c1O ZINC001227620992 1032489046 /nfs/dbraw/zinc/48/90/46/1032489046.db2.gz ZKFITFUQIYZXDV-ZCFIWIBFSA-N 0 1 376.839 3.882 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)c3ccccn3)c1C2=O ZINC001227994295 1032729638 /nfs/dbraw/zinc/72/96/38/1032729638.db2.gz MJGKAYHDMUEWCR-GFCCVEGCSA-N 0 1 375.380 3.717 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1[C@@H]1CCCOC1 ZINC000934675494 1018919515 /nfs/dbraw/zinc/91/95/15/1018919515.db2.gz DNMMONHNCGGGND-GFCCVEGCSA-N 0 1 385.251 3.569 20 10 GHCDMN COc1ccc([C@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)cc1 ZINC001228518954 1032968594 /nfs/dbraw/zinc/96/85/94/1032968594.db2.gz KXQBSEPSFZOXDJ-LBPRGKRZSA-N 0 1 396.395 3.889 20 10 GHCDMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000800543613 1021319271 /nfs/dbraw/zinc/31/92/71/1021319271.db2.gz FQIKIHAIYIEFPF-ZDUSSCGKSA-N 0 1 391.855 3.605 20 10 GHCDMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000800543613 1021319289 /nfs/dbraw/zinc/31/92/89/1021319289.db2.gz FQIKIHAIYIEFPF-ZDUSSCGKSA-N 0 1 391.855 3.605 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140339787 1021446483 /nfs/dbraw/zinc/44/64/83/1021446483.db2.gz YFUBCNIQGDNURA-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140339787 1021446496 /nfs/dbraw/zinc/44/64/96/1021446496.db2.gz YFUBCNIQGDNURA-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4c([O-])cccc4Cl)C3)C2=O)c1 ZINC001140340313 1021449387 /nfs/dbraw/zinc/44/93/87/1021449387.db2.gz UMGSPDYDCDFMLX-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4c([O-])cccc4Cl)C3)C2=O)c1 ZINC001140340313 1021449408 /nfs/dbraw/zinc/44/94/08/1021449408.db2.gz UMGSPDYDCDFMLX-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN COc1cc(Br)cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000802657911 1021515912 /nfs/dbraw/zinc/51/59/12/1021515912.db2.gz DGITZUSGGNLZLM-UHFFFAOYSA-N 0 1 395.253 3.746 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000835351067 1022050943 /nfs/dbraw/zinc/05/09/43/1022050943.db2.gz VNLWFWMTFDWJQN-UHFFFAOYSA-N 0 1 393.270 3.833 20 10 GHCDMN CC(C)c1ncsc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000835348683 1022051206 /nfs/dbraw/zinc/05/12/06/1022051206.db2.gz GAHIPWXRUDGESD-UHFFFAOYSA-N 0 1 388.276 3.534 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(O)c(C)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001140744879 1022411654 /nfs/dbraw/zinc/41/16/54/1022411654.db2.gz OHFKOYMTFXYYII-FQEVSTJZSA-N 0 1 399.535 3.929 20 10 GHCDMN CCC[N@H+](Cc1ccc(O)c(C)c1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749628 1022427103 /nfs/dbraw/zinc/42/71/03/1022427103.db2.gz HACAZRMUYSSSFW-INIZCTEOSA-N 0 1 378.513 3.875 20 10 GHCDMN Cc1ccc(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c(O)c1 ZINC001140952181 1022979978 /nfs/dbraw/zinc/97/99/78/1022979978.db2.gz HMBJCLFMHPIEFW-UHFFFAOYSA-N 0 1 381.520 3.792 20 10 GHCDMN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077931 1023443729 /nfs/dbraw/zinc/44/37/29/1023443729.db2.gz FHASXLLGVWKGLK-QFIPXVFZSA-N 0 1 375.516 3.989 20 10 GHCDMN O=C1[C@H](NCc2ccc(N3CCCCC3)cc2)CCN1c1c(F)cccc1F ZINC000756149483 1023537286 /nfs/dbraw/zinc/53/72/86/1023537286.db2.gz JTKXSYZDLRYEEX-HXUWFJFHSA-N 0 1 385.458 3.850 20 10 GHCDMN CCc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000756337883 1023595194 /nfs/dbraw/zinc/59/51/94/1023595194.db2.gz YJURAMWIYZKJHM-JOCHJYFZSA-N 0 1 396.531 3.594 20 10 GHCDMN C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756351409 1023602578 /nfs/dbraw/zinc/60/25/78/1023602578.db2.gz JUZYREPSAIUTHS-IFXJQAMLSA-N 0 1 378.875 3.909 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000756454805 1023659484 /nfs/dbraw/zinc/65/94/84/1023659484.db2.gz GMXHSDOTTCRBNT-KRWDZBQOSA-N 0 1 390.483 3.869 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1[O-] ZINC000756477519 1023676608 /nfs/dbraw/zinc/67/66/08/1023676608.db2.gz ASDPARWFNPYVFW-LLVKDONJSA-N 0 1 397.700 3.889 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756673935 1023769458 /nfs/dbraw/zinc/76/94/58/1023769458.db2.gz CVRLEHDVEYDIGZ-DYVFJYSZSA-N 0 1 389.293 3.606 20 10 GHCDMN COc1cc2c(cc1Cl)ncnc2NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156657544 1033161233 /nfs/dbraw/zinc/16/12/33/1033161233.db2.gz NIKHRLHCCWUBSN-UHFFFAOYSA-N 0 1 397.910 3.656 20 10 GHCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC001141367823 1024741535 /nfs/dbraw/zinc/74/15/35/1024741535.db2.gz RUJZTEWPERYHCY-JTQLQIEISA-N 0 1 386.677 3.879 20 10 GHCDMN CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374470 1024766867 /nfs/dbraw/zinc/76/68/67/1024766867.db2.gz JFIUVPSXXLXQRY-ZANVPECISA-N 0 1 378.694 3.828 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001141374371 1024766972 /nfs/dbraw/zinc/76/69/72/1024766972.db2.gz GFHXIAUQXBTYHD-GFCCVEGCSA-N 0 1 376.678 3.536 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ccc(OC)cn3)C2)c(OC)c1 ZINC001138392473 1024770954 /nfs/dbraw/zinc/77/09/54/1024770954.db2.gz XBIVJRDVXKMCAJ-HXUWFJFHSA-N 0 1 385.508 3.598 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001141377656 1024775081 /nfs/dbraw/zinc/77/50/81/1024775081.db2.gz XAYAQRGDDLDCTE-ZDUSSCGKSA-N 0 1 398.688 3.642 20 10 GHCDMN COc1cccc([C@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC001138499792 1024932990 /nfs/dbraw/zinc/93/29/90/1024932990.db2.gz JQYBAFDOAMUAAE-JOCHJYFZSA-N 0 1 384.545 3.822 20 10 GHCDMN CCOCC1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138681061 1025205715 /nfs/dbraw/zinc/20/57/15/1025205715.db2.gz SUMMXHBBGADYMC-UHFFFAOYSA-N 0 1 397.357 3.534 20 10 GHCDMN [O-]c1c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)ccc2ccccc21 ZINC000839146101 1025640103 /nfs/dbraw/zinc/64/01/03/1025640103.db2.gz WLBRJROAUYUOGK-UHFFFAOYSA-N 0 1 384.426 3.950 20 10 GHCDMN Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130273 1025943621 /nfs/dbraw/zinc/94/36/21/1025943621.db2.gz WLTVMLXUAJJTLR-INIZCTEOSA-N 0 1 380.444 3.554 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnn(CC4CCC4)c3)cc2F)C[C@H](C)O1 ZINC001461068586 1069373905 /nfs/dbraw/zinc/37/39/05/1069373905.db2.gz WIENXWAVDVJYKR-CALCHBBNSA-N 0 1 386.515 3.726 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)[C@H](C(C)(C)C)C2)CCCC1 ZINC001163928556 1026363461 /nfs/dbraw/zinc/36/34/61/1026363461.db2.gz DCUQMOMDXCPMGG-QFIPXVFZSA-N 0 1 397.563 3.717 20 10 GHCDMN O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681751 1026536292 /nfs/dbraw/zinc/53/62/92/1026536292.db2.gz DNXIKIIXDFMAPN-FQEVSTJZSA-N 0 1 392.471 3.860 20 10 GHCDMN O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139681752 1026536921 /nfs/dbraw/zinc/53/69/21/1026536921.db2.gz DNXIKIIXDFMAPN-HXUWFJFHSA-N 0 1 392.471 3.860 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccccc3-n3ccnc3C)CC2)c(OC)c1 ZINC001140027233 1026814778 /nfs/dbraw/zinc/81/47/78/1026814778.db2.gz CZTWOFXIPFHWMN-UHFFFAOYSA-N 0 1 392.503 3.520 20 10 GHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140100711 1026877470 /nfs/dbraw/zinc/87/74/70/1026877470.db2.gz AANLGTMZITURIM-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140100711 1026877480 /nfs/dbraw/zinc/87/74/80/1026877480.db2.gz AANLGTMZITURIM-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN Oc1cccc(Br)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001140103265 1026884368 /nfs/dbraw/zinc/88/43/68/1026884368.db2.gz GPDKKRZNXNYXBU-UHFFFAOYSA-N 0 1 387.321 3.962 20 10 GHCDMN Oc1ccccc1CN1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001203551275 1027427591 /nfs/dbraw/zinc/42/75/91/1027427591.db2.gz AEEPWBJFBQYQRC-UHFFFAOYSA-N 0 1 390.487 3.531 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCCC1=O ZINC001203562233 1027434992 /nfs/dbraw/zinc/43/49/92/1027434992.db2.gz FZDGWVNZRCEQJK-SECBINFHSA-N 0 1 391.103 3.718 20 10 GHCDMN COC[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203563118 1027436054 /nfs/dbraw/zinc/43/60/54/1027436054.db2.gz VTEFWWJQNQAAQE-NSHDSACASA-N 0 1 379.092 3.528 20 10 GHCDMN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203575055 1027443584 /nfs/dbraw/zinc/44/35/84/1027443584.db2.gz CKAYGQNPTYPVRL-IYBDPMFKSA-N 0 1 391.298 3.903 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203575017 1027443824 /nfs/dbraw/zinc/44/38/24/1027443824.db2.gz BDNDEJQULHUKAS-KUHUBIRLSA-N 0 1 395.286 3.621 20 10 GHCDMN O=C1Nc2ccccc2C12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001203636275 1027493907 /nfs/dbraw/zinc/49/39/07/1027493907.db2.gz SASFFCNHMVOTLF-UHFFFAOYSA-N 0 1 387.277 3.641 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001203642059 1027499858 /nfs/dbraw/zinc/49/98/58/1027499858.db2.gz CLWUZZLHQWFSIT-UHFFFAOYSA-N 0 1 377.282 3.731 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001203642059 1027499870 /nfs/dbraw/zinc/49/98/70/1027499870.db2.gz CLWUZZLHQWFSIT-UHFFFAOYSA-N 0 1 377.282 3.731 20 10 GHCDMN COc1ccc(O)c(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001203684327 1027529779 /nfs/dbraw/zinc/52/97/79/1027529779.db2.gz RODBHWQWNGREEE-IBGZPJMESA-N 0 1 398.503 3.852 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC001210875995 1027688306 /nfs/dbraw/zinc/68/83/06/1027688306.db2.gz VWGDFWSJEWNSNF-QFBILLFUSA-N 0 1 388.581 3.656 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC001210875998 1027688384 /nfs/dbraw/zinc/68/83/84/1027688384.db2.gz VWGDFWSJEWNSNF-VQIMIIECSA-N 0 1 388.581 3.656 20 10 GHCDMN COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2cn(CC3CCCC3)nc21 ZINC001203930768 1027721809 /nfs/dbraw/zinc/72/18/09/1027721809.db2.gz HWGMFNLXDUWMTQ-NRFANRHFSA-N 0 1 382.552 3.885 20 10 GHCDMN COC[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2cn(CC3CCCC3)nc21 ZINC001203930768 1027721823 /nfs/dbraw/zinc/72/18/23/1027721823.db2.gz HWGMFNLXDUWMTQ-NRFANRHFSA-N 0 1 382.552 3.885 20 10 GHCDMN C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000840865015 1027903133 /nfs/dbraw/zinc/90/31/33/1027903133.db2.gz SNDPQBCQMLVKAI-DOMZBBRYSA-N 0 1 393.281 3.926 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840946517 1027977286 /nfs/dbraw/zinc/97/72/86/1027977286.db2.gz PMZZKZRAJBEJRI-MNOVXSKESA-N 0 1 382.917 3.521 20 10 GHCDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000840955964 1027985428 /nfs/dbraw/zinc/98/54/28/1027985428.db2.gz DFLXKVMPXWFVCH-UHFFFAOYSA-N 0 1 380.941 3.798 20 10 GHCDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979090 1028019963 /nfs/dbraw/zinc/01/99/63/1028019963.db2.gz RISVYJQFUJIOGB-UWVGGRQHSA-N 0 1 393.119 3.510 20 10 GHCDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(N)cc1 ZINC000841298805 1028391499 /nfs/dbraw/zinc/39/14/99/1028391499.db2.gz HFFHHYUGIKZOIY-LJQANCHMSA-N 0 1 393.491 3.513 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000841743851 1028906968 /nfs/dbraw/zinc/90/69/68/1028906968.db2.gz CNEAZEJYKMFYIF-OLZOCXBDSA-N 0 1 382.913 3.708 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(OC)(C(F)(F)F)CC2)c1O ZINC000841888896 1028989324 /nfs/dbraw/zinc/98/93/24/1028989324.db2.gz UOTOULQUKVPATE-UHFFFAOYSA-N 0 1 398.219 3.707 20 10 GHCDMN COc1cc(NCc2cccc(Br)c2[O-])ccc1OCC[NH+](C)C ZINC000841893368 1028991647 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GHCDMN O=C(CC1CCSCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134266602 839816598 /nfs/dbraw/zinc/81/65/98/839816598.db2.gz IXFFDQGYJWPIPL-KRWDZBQOSA-N 0 1 382.957 3.660 20 10 GHCDMN COC(=O)CCNC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000195080983 840399495 /nfs/dbraw/zinc/39/94/95/840399495.db2.gz VVSLDHDBQPIMAJ-UHFFFAOYSA-N 0 1 397.258 3.604 20 10 GHCDMN CCCOc1ccc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000280687631 846500441 /nfs/dbraw/zinc/50/04/41/846500441.db2.gz ODXLALDOWWRYEJ-KKSFZXQISA-N 0 1 391.533 3.753 20 10 GHCDMN Cc1cc(NC(=O)C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1Br ZINC000732231530 862163294 /nfs/dbraw/zinc/16/32/94/862163294.db2.gz QMUULBTYDAUXOF-UHFFFAOYSA-N 0 1 383.673 3.845 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000732259635 862176956 /nfs/dbraw/zinc/17/69/56/862176956.db2.gz SWTMBHWOOLNVOG-LJQANCHMSA-N 0 1 379.548 3.938 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCn3cccc3[C@@H]2C)C1 ZINC000443944898 862232764 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CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153006779 881499541 /nfs/dbraw/zinc/49/95/41/881499541.db2.gz MRYGOSURPCIBKL-UHFFFAOYSA-N 0 1 375.856 3.717 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H]3c3ccccc3)cc2F)CC1 ZINC000730133335 860873406 /nfs/dbraw/zinc/87/34/06/860873406.db2.gz OPBPNKNVFUXOLT-NRFANRHFSA-N 0 1 396.510 3.624 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccc(C)cc3)cc2F)CC1 ZINC000730192911 860934947 /nfs/dbraw/zinc/93/49/47/860934947.db2.gz PZZBVUIOWHQYFQ-UHFFFAOYSA-N 0 1 383.511 3.525 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000733976957 863897355 /nfs/dbraw/zinc/89/73/55/863897355.db2.gz GKESQSZHTXNRCK-IBGZPJMESA-N 0 1 396.579 3.583 20 10 GHCDMN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC2 ZINC000792828955 881716260 /nfs/dbraw/zinc/71/62/60/881716260.db2.gz LMWWMXFVBHBJTB-ROUUACIJSA-N 0 1 386.458 3.523 20 10 GHCDMN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001170422383 881783463 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CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])cn1 ZINC000792188843 880976334 /nfs/dbraw/zinc/97/63/34/880976334.db2.gz MAICJNAKNKOBQA-NRFANRHFSA-N 0 1 385.895 3.998 20 10 GHCDMN CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])cn1 ZINC000792188843 880976338 /nfs/dbraw/zinc/97/63/38/880976338.db2.gz MAICJNAKNKOBQA-NRFANRHFSA-N 0 1 385.895 3.998 20 10 GHCDMN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000858492697 883144356 /nfs/dbraw/zinc/14/43/56/883144356.db2.gz BQGHUTGTNMNDBB-ZDUSSCGKSA-N 0 1 384.904 3.770 20 10 GHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000858496368 883150865 /nfs/dbraw/zinc/15/08/65/883150865.db2.gz RGELUNISSPNOLQ-LBPRGKRZSA-N 0 1 377.282 3.988 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Br)cc1[O-] ZINC000185026163 883398813 /nfs/dbraw/zinc/39/88/13/883398813.db2.gz PASKZNZUUARHEF-CYBMUJFWSA-N 0 1 376.298 3.869 20 10 GHCDMN Cc1nc(Cl)ccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135334 883616682 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Cc1cc(O)c(CN2CCN(c3nc(F)c(F)cc3F)CC2)cc1C(C)C ZINC000762098191 885373031 /nfs/dbraw/zinc/37/30/31/885373031.db2.gz HFXGOEOIJDSWOW-UHFFFAOYSA-N 0 1 379.426 3.959 20 10 GHCDMN Cc1cc2cc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2[nH]1 ZINC000807511214 885496119 /nfs/dbraw/zinc/49/61/19/885496119.db2.gz HNVXBYUAGGWBSV-UHFFFAOYSA-N 0 1 392.242 3.744 20 10 GHCDMN Cc1cn(CC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1C(F)(F)F ZINC000861728225 885796047 /nfs/dbraw/zinc/79/60/47/885796047.db2.gz DPTVMHKMKJZKOH-UHFFFAOYSA-N 0 1 382.169 3.539 20 10 GHCDMN COCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000130671704 885982517 /nfs/dbraw/zinc/98/25/17/885982517.db2.gz ICYFMZBQYUSZEN-UHFFFAOYSA-N 0 1 390.486 3.636 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000808090312 886009934 /nfs/dbraw/zinc/00/99/34/886009934.db2.gz YPPOBNZDUBVHLF-UHFFFAOYSA-N 0 1 378.141 3.768 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(I)cn1 ZINC000808090325 886010557 /nfs/dbraw/zinc/01/05/57/886010557.db2.gz YVMKOGQZKZRMBX-UHFFFAOYSA-N 0 1 396.015 3.706 20 10 GHCDMN Fc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1 ZINC000862435733 886378489 /nfs/dbraw/zinc/37/84/89/886378489.db2.gz JQBMMXXWGVGOPH-UHFFFAOYSA-N 0 1 388.458 3.845 20 10 GHCDMN Cc1cc(CCNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)n1-c1ccccc1 ZINC000762997591 887523205 /nfs/dbraw/zinc/52/32/05/887523205.db2.gz CHUCOPAYKHMZOW-INIZCTEOSA-N 0 1 394.523 3.939 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809689740 887666326 /nfs/dbraw/zinc/66/63/26/887666326.db2.gz BZVFPPCVYWHVDZ-SNVBAGLBSA-N 0 1 399.240 3.980 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1[O-] ZINC000809700164 887682151 /nfs/dbraw/zinc/68/21/51/887682151.db2.gz ZBPTULJXPMVVRQ-KURKYZTESA-N 0 1 388.851 3.958 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000809768473 887757232 /nfs/dbraw/zinc/75/72/32/887757232.db2.gz MNZSIPAXHHZSQT-CQSZACIVSA-N 0 1 380.286 3.840 20 10 GHCDMN COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(Br)c1 ZINC000809753221 887792055 /nfs/dbraw/zinc/79/20/55/887792055.db2.gz CQKNDSQFDLJMPC-LLVKDONJSA-N 0 1 394.265 3.801 20 10 GHCDMN Oc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(C(F)(F)F)c1 ZINC000810131649 888198793 /nfs/dbraw/zinc/19/87/93/888198793.db2.gz NRMAEOFDPKFQPG-UHFFFAOYSA-N 0 1 384.373 3.677 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227734 888303260 /nfs/dbraw/zinc/30/32/60/888303260.db2.gz HVGRHNSPMFIFRD-KBPBESRZSA-N 0 1 394.459 3.593 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237635 888336592 /nfs/dbraw/zinc/33/65/92/888336592.db2.gz DGFGNEBWTPZBOE-KRWDZBQOSA-N 0 1 395.425 3.884 20 10 GHCDMN CCOCc1nc([C@H](C)N[C@H](C)c2cc(Br)cc(F)c2O)no1 ZINC000810255547 888359213 /nfs/dbraw/zinc/35/92/13/888359213.db2.gz MADRZTGSFMYFIN-BDAKNGLRSA-N 0 1 388.237 3.625 20 10 GHCDMN OCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000865653620 888501283 /nfs/dbraw/zinc/50/12/83/888501283.db2.gz HYZCAMDGCQNOPN-LJQANCHMSA-N 0 1 396.865 3.668 20 10 GHCDMN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811530005 889683242 /nfs/dbraw/zinc/68/32/42/889683242.db2.gz SWOSSUIPEPGISW-UHFFFAOYSA-N 0 1 382.169 3.539 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc4ccc(F)cc4s3)cc2)CC1 ZINC001132899474 889782955 /nfs/dbraw/zinc/78/29/55/889782955.db2.gz WPEKMSGAHBCWMP-UHFFFAOYSA-N 0 1 383.492 3.722 20 10 GHCDMN CCN(CC(C)(C)C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000813063307 891251138 /nfs/dbraw/zinc/25/11/38/891251138.db2.gz QCGRBIIBPZGETI-UHFFFAOYSA-N 0 1 378.536 3.545 20 10 GHCDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)c1 ZINC000154286225 891316134 /nfs/dbraw/zinc/31/61/34/891316134.db2.gz VTAIVNMLZFGEQA-UHFFFAOYSA-N 0 1 385.439 3.735 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275369972 913588312 /nfs/dbraw/zinc/58/83/12/913588312.db2.gz HPCARKTYWPXEJG-CRAIPNDOSA-N 0 1 377.960 3.923 20 10 GHCDMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684165 891875158 /nfs/dbraw/zinc/87/51/58/891875158.db2.gz LLBFGRHEYATEIZ-UHFFFAOYSA-N 0 1 384.263 3.731 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000033321602 891940597 /nfs/dbraw/zinc/94/05/97/891940597.db2.gz IWYAWJVBWPHUEW-STZFKDTASA-N 0 1 388.398 3.866 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4nccnc4c3)CC2)cc1 ZINC001137092390 892713990 /nfs/dbraw/zinc/71/39/90/892713990.db2.gz QBCLUOYNHZIGGT-UHFFFAOYSA-N 0 1 388.393 3.851 20 10 GHCDMN C[C@@H]1COCCC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706370 892913621 /nfs/dbraw/zinc/91/36/21/892913621.db2.gz PLGQZWONWZVVOT-SECBINFHSA-N 0 1 379.092 3.528 20 10 GHCDMN C[C@@H]1COCCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706370 892913628 /nfs/dbraw/zinc/91/36/28/892913628.db2.gz PLGQZWONWZVVOT-SECBINFHSA-N 0 1 379.092 3.528 20 10 GHCDMN CCNC(=O)[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(C)C ZINC000815132272 893507931 /nfs/dbraw/zinc/50/79/31/893507931.db2.gz PXABZLSIJZQFPW-FQEVSTJZSA-N 0 1 381.480 3.791 20 10 GHCDMN COc1ccc(-c2cc(CNCc3ccc(N4CCC(O)CC4)cc3)on2)cc1 ZINC000877629462 893730246 /nfs/dbraw/zinc/73/02/46/893730246.db2.gz VAAAUAAQZVDPIE-UHFFFAOYSA-N 0 1 393.487 3.601 20 10 GHCDMN CC(C)Cn1cc([C@@H]2[N@H+](Cc3ccc(F)c(F)c3[O-])CC23CCOCC3)cn1 ZINC000877632533 893731921 /nfs/dbraw/zinc/73/19/21/893731921.db2.gz DGAZQWMLQNBEOF-FQEVSTJZSA-N 0 1 391.462 3.877 20 10 GHCDMN CC(C)Cn1cc([C@@H]2[N@@H+](Cc3ccc(F)c(F)c3[O-])CC23CCOCC3)cn1 ZINC000877632533 893731928 /nfs/dbraw/zinc/73/19/28/893731928.db2.gz DGAZQWMLQNBEOF-FQEVSTJZSA-N 0 1 391.462 3.877 20 10 GHCDMN Cc1ccc(S(=O)(=O)C2CCN(Cc3cccc(Cl)c3O)CC2)cc1 ZINC000877779749 893808077 /nfs/dbraw/zinc/80/80/77/893808077.db2.gz NSWQVBDWYKGCSQ-UHFFFAOYSA-N 0 1 379.909 3.792 20 10 GHCDMN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816493293 894861606 /nfs/dbraw/zinc/86/16/06/894861606.db2.gz WEACEMAKABXQOP-KRWDZBQOSA-N 0 1 378.831 3.796 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)ccc2ccccc21 ZINC000816544788 894915049 /nfs/dbraw/zinc/91/50/49/894915049.db2.gz UFMUZWIHDRVJGO-JOCHJYFZSA-N 0 1 380.463 3.848 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000128421352 895707498 /nfs/dbraw/zinc/70/74/98/895707498.db2.gz MMEKLOIUERBVPI-SFHVURJKSA-N 0 1 392.455 3.909 20 10 GHCDMN Cc1c(F)cccc1S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001185790454 914084907 /nfs/dbraw/zinc/08/49/07/914084907.db2.gz DSBRITUGUGNBFB-UHFFFAOYSA-N 0 1 395.411 3.710 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(Br)cs1 ZINC000883290680 897455708 /nfs/dbraw/zinc/45/57/08/897455708.db2.gz CDDNQEMGUVNMRR-ZDUSSCGKSA-N 0 1 395.370 3.508 20 10 GHCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccc(OC)c1 ZINC000821208676 897789623 /nfs/dbraw/zinc/78/96/23/897789623.db2.gz ALLAHUBKLLIDFL-INIZCTEOSA-N 0 1 399.274 3.895 20 10 GHCDMN C[C@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000822182167 898246759 /nfs/dbraw/zinc/24/67/59/898246759.db2.gz GQHFUVGRMBVBFO-LSDHHAIUSA-N 0 1 396.491 3.898 20 10 GHCDMN COc1ccc(OC)c(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000133399000 898366332 /nfs/dbraw/zinc/36/63/32/898366332.db2.gz VUGBEZQRGMLNHO-UHFFFAOYSA-N 0 1 382.504 3.705 20 10 GHCDMN COc1ccc(OC)c(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000133399000 898366345 /nfs/dbraw/zinc/36/63/45/898366345.db2.gz VUGBEZQRGMLNHO-UHFFFAOYSA-N 0 1 382.504 3.705 20 10 GHCDMN O=C(C[C@H](n1ccnc1)C(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000822950184 898748785 /nfs/dbraw/zinc/74/87/85/898748785.db2.gz ZLUCBZRHYGDQCM-NSHDSACASA-N 0 1 382.169 3.705 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000774975112 914317092 /nfs/dbraw/zinc/31/70/92/914317092.db2.gz OJGHANAJPXTOPM-UHFFFAOYSA-N 0 1 385.189 3.500 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824627176 899725475 /nfs/dbraw/zinc/72/54/75/899725475.db2.gz IYORIROBFMYMMT-CYBMUJFWSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824627176 899725483 /nfs/dbraw/zinc/72/54/83/899725483.db2.gz IYORIROBFMYMMT-CYBMUJFWSA-N 0 1 399.329 3.891 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636992 899731839 /nfs/dbraw/zinc/73/18/39/899731839.db2.gz WBADRPZPISGMIF-APWZRJJASA-N 0 1 394.284 3.763 20 10 GHCDMN CS[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824683964 899764076 /nfs/dbraw/zinc/76/40/76/899764076.db2.gz ZDPONRWEQMSPIU-JTQLQIEISA-N 0 1 381.133 3.855 20 10 GHCDMN Cc1ccc2c(c1)N(C(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000824683116 899764422 /nfs/dbraw/zinc/76/44/22/899764422.db2.gz WGTJISURVZOJDH-MRXNPFEDSA-N 0 1 396.491 3.645 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1[N+](=O)[O-] ZINC000824820236 899825786 /nfs/dbraw/zinc/82/57/86/899825786.db2.gz BSPQNGBDUULQND-AWEZNQCLSA-N 0 1 387.392 3.597 20 10 GHCDMN O=C(N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824830505 899851955 /nfs/dbraw/zinc/85/19/55/899851955.db2.gz TZXIGUHHIURYJE-KOLCDFICSA-N 0 1 397.224 3.542 20 10 GHCDMN CC[C@H](NCc1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000825185697 900015678 /nfs/dbraw/zinc/01/56/78/900015678.db2.gz QORKSDPCUCKPJA-AWEZNQCLSA-N 0 1 379.302 3.714 20 10 GHCDMN COc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3[O-])CC2)cc1 ZINC000825190986 900037510 /nfs/dbraw/zinc/03/75/10/900037510.db2.gz SJCFJOVGNSXCLD-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3cscn3)no2)C1 ZINC000572625581 900239293 /nfs/dbraw/zinc/23/92/93/900239293.db2.gz MREXWBIHXISWPU-UHFFFAOYSA-N 0 1 379.489 3.963 20 10 GHCDMN CC[C@H](O)[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001144005696 900878250 /nfs/dbraw/zinc/87/82/50/900878250.db2.gz AJORCGLUUXFQGO-GOTSBHOMSA-N 0 1 397.563 3.560 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000886751431 901255207 /nfs/dbraw/zinc/25/52/07/901255207.db2.gz QGSDHTDMKHSPEK-CQSZACIVSA-N 0 1 387.911 3.598 20 10 GHCDMN COC(=O)c1ccc2c(c1)CCN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144298995 901646647 /nfs/dbraw/zinc/64/66/47/901646647.db2.gz OCZJAOJFAVNVCU-UHFFFAOYSA-N 0 1 394.240 3.639 20 10 GHCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144308334 901701484 /nfs/dbraw/zinc/70/14/84/901701484.db2.gz VWFIUVUTWHLMCU-UHFFFAOYSA-N 0 1 391.281 3.640 20 10 GHCDMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845971191 902552884 /nfs/dbraw/zinc/55/28/84/902552884.db2.gz IELDRXMXBDBTTF-HNNXBMFYSA-N 0 1 395.459 3.614 20 10 GHCDMN COc1cc(Br)cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846017317 902600086 /nfs/dbraw/zinc/60/00/86/902600086.db2.gz MHXKTGQDVSNNPT-QLJPJBMISA-N 0 1 384.245 3.514 20 10 GHCDMN C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1[O-] ZINC000779083029 904038570 /nfs/dbraw/zinc/03/85/70/904038570.db2.gz SOPNDKBFPRCNEK-GFCCVEGCSA-N 0 1 375.266 3.977 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000801587218 921169868 /nfs/dbraw/zinc/16/98/68/921169868.db2.gz ZIOKXWIUIGVBLT-KRWDZBQOSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1SC ZINC000299340944 921297388 /nfs/dbraw/zinc/29/73/88/921297388.db2.gz GWSZJVQZYDSFAR-LFIBNONCSA-N 0 1 394.587 3.713 20 10 GHCDMN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000779488755 907322294 /nfs/dbraw/zinc/32/22/94/907322294.db2.gz JFZLVWMYMMINQK-IQBZNYMQSA-N 0 1 386.879 3.718 20 10 GHCDMN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185214854 907733151 /nfs/dbraw/zinc/73/31/51/907733151.db2.gz POVZTLKOQNGKQT-ZDUSSCGKSA-N 0 1 383.330 3.842 20 10 GHCDMN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000185321443 907751950 /nfs/dbraw/zinc/75/19/50/907751950.db2.gz GQCUARQGSWCVSZ-CYBMUJFWSA-N 0 1 393.329 3.756 20 10 GHCDMN CC(C)OCCOCc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001178114727 908889487 /nfs/dbraw/zinc/88/94/87/908889487.db2.gz QKQCKXVWXGDSSU-UHFFFAOYSA-N 0 1 397.563 3.992 20 10 GHCDMN COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)cc(OC)c1 ZINC001179887698 909778579 /nfs/dbraw/zinc/77/85/79/909778579.db2.gz NQBSTPDXGNDZDV-CQSZACIVSA-N 0 1 378.419 3.764 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cn1 ZINC000271288044 910849472 /nfs/dbraw/zinc/84/94/72/910849472.db2.gz DOEXWKZZAUVORG-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000247507738 911328104 /nfs/dbraw/zinc/32/81/04/911328104.db2.gz YHQRUEVTRPDUHV-GAJHUEQPSA-N 0 1 394.515 3.620 20 10 GHCDMN O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283187683 911404263 /nfs/dbraw/zinc/40/42/63/911404263.db2.gz QKMPJDZIODQKQZ-UGKGYDQZSA-N 0 1 394.515 3.536 20 10 GHCDMN COc1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)cc1O ZINC000092404797 911514096 /nfs/dbraw/zinc/51/40/96/911514096.db2.gz JSCXAENGYRQXKB-UHFFFAOYSA-N 0 1 382.254 3.510 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093083762 912052760 /nfs/dbraw/zinc/05/27/60/912052760.db2.gz YMWKTEVVWYZXGZ-UHFFFAOYSA-N 0 1 391.855 3.678 20 10 GHCDMN CCN(CC)c1ccc(N=Nc2ccccc2C(=O)NCc2nnc[nH]2)cc1 ZINC001189711688 916856186 /nfs/dbraw/zinc/85/61/86/916856186.db2.gz BLNHOHQDOXGCHL-OCOZRVBESA-N 0 1 377.452 3.996 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cc(Br)ccc1[O-] ZINC000775484390 918235277 /nfs/dbraw/zinc/23/52/77/918235277.db2.gz CINAYPXEYBJIEN-DOTOQJQBSA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000775487380 918257571 /nfs/dbraw/zinc/25/75/71/918257571.db2.gz AXHCITGGWQSDMS-MAUKXSAKSA-N 0 1 394.309 3.944 20 10 GHCDMN Oc1ccccc1C[N@@H+](CCc1cccc2c1OC(F)(F)O2)C[C@H]1CCCO1 ZINC001192014170 918358686 /nfs/dbraw/zinc/35/86/86/918358686.db2.gz QJQLWYLZASDRDL-QGZVFWFLSA-N 0 1 391.414 3.937 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2Cl)C1 ZINC000800572602 920284008 /nfs/dbraw/zinc/28/40/08/920284008.db2.gz ZQYOOPNHTSKIMS-FOIQADDNSA-N 0 1 375.944 3.819 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1 ZINC001137346919 924899169 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GHCDMN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(Br)cc1[O-] ZINC000797131101 932196081 /nfs/dbraw/zinc/19/60/81/932196081.db2.gz FGLIRQHCUXKLRA-IPQOISQHSA-N 0 1 382.323 3.884 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1N1CCCCC1 ZINC000799344755 932959834 /nfs/dbraw/zinc/95/98/34/932959834.db2.gz HDGAMTCSGUCLPT-QHCPKHFHSA-N 0 1 395.503 3.899 20 10 GHCDMN CCc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1 ZINC000799932453 933174630 /nfs/dbraw/zinc/17/46/30/933174630.db2.gz PXTXNSWGSJVWHL-CQSZACIVSA-N 0 1 389.931 3.861 20 10 GHCDMN COc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1Br ZINC001116652772 933685818 /nfs/dbraw/zinc/68/58/18/933685818.db2.gz UWGIZCNMDSKTHT-UHFFFAOYSA-N 0 1 390.325 3.822 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H](C3CCOCC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828492984 935645048 /nfs/dbraw/zinc/64/50/48/935645048.db2.gz XSSQTJCPEQHKSN-SFHVURJKSA-N 0 1 385.483 3.559 20 10 GHCDMN COCCC[N@@H+](Cc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137837390 935816579 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GHCDMN O=C1C[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CN1c1ccc(F)c(F)c1 ZINC001140343966 1021458234 /nfs/dbraw/zinc/45/82/34/1021458234.db2.gz AVSQMFJEPLPCGZ-HXUWFJFHSA-N 0 1 392.833 3.953 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CN1c1ccc(F)c(F)c1 ZINC001140343966 1021458241 /nfs/dbraw/zinc/45/82/41/1021458241.db2.gz AVSQMFJEPLPCGZ-HXUWFJFHSA-N 0 1 392.833 3.953 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001140466385 1021759415 /nfs/dbraw/zinc/75/94/15/1021759415.db2.gz CWWVPCKTOOZQHN-QKNQBKEWSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001140466385 1021759434 /nfs/dbraw/zinc/75/94/34/1021759434.db2.gz CWWVPCKTOOZQHN-QKNQBKEWSA-N 0 1 388.895 3.779 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000835083340 1021881616 /nfs/dbraw/zinc/88/16/16/1021881616.db2.gz XZZLPJWFEUGAGV-SFHVURJKSA-N 0 1 386.492 3.661 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000835083340 1021881634 /nfs/dbraw/zinc/88/16/34/1021881634.db2.gz XZZLPJWFEUGAGV-SFHVURJKSA-N 0 1 386.492 3.661 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140913374 1022861100 /nfs/dbraw/zinc/86/11/00/1022861100.db2.gz BDZHNRQMHJSKKG-UHFFFAOYSA-N 0 1 384.524 3.939 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(Cl)c1 ZINC001140926622 1022903111 /nfs/dbraw/zinc/90/31/11/1022903111.db2.gz PEGFMGBMWKJDFX-LJQANCHMSA-N 0 1 387.911 3.548 20 10 GHCDMN Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140950818 1022975495 /nfs/dbraw/zinc/97/54/95/1022975495.db2.gz JTROZFDYOCLAMC-CABCVRRESA-N 0 1 388.430 3.978 20 10 GHCDMN Cc1ccccc1-c1noc(C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])n1 ZINC001204834992 1033113274 /nfs/dbraw/zinc/11/32/74/1033113274.db2.gz RDAOYUVVJIOZRI-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN Cc1ccccc1-c1noc(C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])n1 ZINC001204834992 1033113284 /nfs/dbraw/zinc/11/32/84/1033113284.db2.gz RDAOYUVVJIOZRI-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN Cc1ccccc1-c1noc(CN(C)Cc2cc3c(C)cc(=O)oc3cc2O)n1 ZINC001204834992 1033113292 /nfs/dbraw/zinc/11/32/92/1033113292.db2.gz RDAOYUVVJIOZRI-UHFFFAOYSA-N 0 1 391.427 3.797 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2c(O)cc(OC)cc2OC)[C@@H](c2ccccc2)C1 ZINC001141030672 1023295937 /nfs/dbraw/zinc/29/59/37/1023295937.db2.gz GBSMTUYUJIBAQG-VQIMIIECSA-N 0 1 385.460 3.536 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC001141031783 1023298114 /nfs/dbraw/zinc/29/81/14/1023298114.db2.gz LHGPYQFIRYTCOO-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN C[C@H](c1ccccc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756336663 1023595465 /nfs/dbraw/zinc/59/54/65/1023595465.db2.gz OYPSBARJRJIUON-WIYYLYMNSA-N 0 1 382.504 3.593 20 10 GHCDMN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1F ZINC000756396527 1023627608 /nfs/dbraw/zinc/62/76/08/1023627608.db2.gz OJFDROQNUKFCFK-GFCCVEGCSA-N 0 1 395.272 3.683 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000756454807 1023659820 /nfs/dbraw/zinc/65/98/20/1023659820.db2.gz GMXHSDOTTCRBNT-QGZVFWFLSA-N 0 1 390.483 3.869 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4c3CCCCC4)cc2)CC1 ZINC001156656127 1033159786 /nfs/dbraw/zinc/15/97/86/1033159786.db2.gz PDBONYQIITZEBY-UHFFFAOYSA-N 0 1 385.943 3.763 20 10 GHCDMN COc1ccc2nc(Cl)cc(NCc3ccc(N4CCN(C)CC4)cc3)c2n1 ZINC001156657987 1033161206 /nfs/dbraw/zinc/16/12/06/1033161206.db2.gz QBWKLIYWDYLSMG-UHFFFAOYSA-N 0 1 397.910 3.656 20 10 GHCDMN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756775973 1023811318 /nfs/dbraw/zinc/81/13/18/1023811318.db2.gz SYAZHENFVBOSNA-SMDDNHRTSA-N 0 1 378.266 3.818 20 10 GHCDMN Oc1ccc(O)c(CN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001141163098 1023988806 /nfs/dbraw/zinc/98/88/06/1023988806.db2.gz OYQQXKVEYAVGPS-UHFFFAOYSA-N 0 1 390.483 3.999 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001138126917 1024173187 /nfs/dbraw/zinc/17/31/87/1024173187.db2.gz MQBWRTBLPPGXTO-NQIIRXRSSA-N 0 1 390.430 3.516 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3c[nH]c4cc(C(=O)OC)ccc34)CC2)cc1 ZINC001138269192 1024510012 /nfs/dbraw/zinc/51/00/12/1024510012.db2.gz YOCYLVBTUAMECK-UHFFFAOYSA-N 0 1 393.487 3.675 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)Cc2cn(CC3CC3)nc21 ZINC001138355629 1024718734 /nfs/dbraw/zinc/71/87/34/1024718734.db2.gz VNXLDUAEYYUTCI-QFIPXVFZSA-N 0 1 394.563 3.811 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001141375095 1024768841 /nfs/dbraw/zinc/76/88/41/1024768841.db2.gz WPOOAHADBRUSNZ-ZDUSSCGKSA-N 0 1 382.632 3.808 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3nccc(C)n3)CC2)c(OC)c1 ZINC001138392172 1024769254 /nfs/dbraw/zinc/76/92/54/1024769254.db2.gz SVUOSYYZCWWNIG-UHFFFAOYSA-N 0 1 384.524 3.683 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)C(C)(C)C)CC2)c(OC)c1 ZINC001138391918 1024769403 /nfs/dbraw/zinc/76/94/03/1024769403.db2.gz JDSQWDUQVAIQNF-UHFFFAOYSA-N 0 1 375.557 3.668 20 10 GHCDMN CCN(CC)c1ccc(CN2CCCN(C(=O)CC(C)C)CC2)c(OC)c1 ZINC001138392547 1024770534 /nfs/dbraw/zinc/77/05/34/1024770534.db2.gz ZSEUPNAFIXBWPI-UHFFFAOYSA-N 0 1 375.557 3.622 20 10 GHCDMN COc1ccc([C@@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138497323 1024929463 /nfs/dbraw/zinc/92/94/63/1024929463.db2.gz FPXZPGINYCPUTM-QFIPXVFZSA-N 0 1 384.545 3.822 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3cnc4[nH]ccc4c3)CC2)cc1 ZINC001138744500 1025283987 /nfs/dbraw/zinc/28/39/87/1025283987.db2.gz XYDKYAAKBATAJW-UHFFFAOYSA-N 0 1 376.382 3.784 20 10 GHCDMN C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000839092559 1025590251 /nfs/dbraw/zinc/59/02/51/1025590251.db2.gz RCQANYZKHOTKTJ-AWEZNQCLSA-N 0 1 391.309 3.670 20 10 GHCDMN COCCC1(C)C[NH+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000839142445 1025636908 /nfs/dbraw/zinc/63/69/08/1025636908.db2.gz GTEBMDNXSYDIEA-UHFFFAOYSA-N 0 1 393.119 3.776 20 10 GHCDMN COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)c1 ZINC001139130169 1025943605 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O=C1C[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)CN1c1ccc(F)c(F)c1 ZINC001139684958 1026538363 /nfs/dbraw/zinc/53/83/63/1026538363.db2.gz SAYWANFCFMMAQE-FQEVSTJZSA-N 0 1 394.368 3.578 20 10 GHCDMN CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683827 1026538854 /nfs/dbraw/zinc/53/88/54/1026538854.db2.gz NALGKHBVLSECDB-UHFFFAOYSA-N 0 1 399.441 3.849 20 10 GHCDMN CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683827 1026538859 /nfs/dbraw/zinc/53/88/59/1026538859.db2.gz NALGKHBVLSECDB-UHFFFAOYSA-N 0 1 399.441 3.849 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC001140060044 1026839351 /nfs/dbraw/zinc/83/93/51/1026839351.db2.gz HZKQYFVUFDMYRN-ZIAGYGMSSA-N 0 1 392.393 3.809 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC001461160292 1069419701 /nfs/dbraw/zinc/41/97/01/1069419701.db2.gz BHZFWOBIRWBOMN-UHFFFAOYSA-N 0 1 393.453 3.910 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCN(CCc2ccccc2)CC1 ZINC001203642023 1027499730 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CCCCNC(=O)C1([NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC001462110961 1070000513 /nfs/dbraw/zinc/00/05/13/1070000513.db2.gz OPQZQBQHWLHWSZ-UHFFFAOYSA-N 0 1 383.330 3.864 20 10 GHCDMN CCC1(CC)CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001246301187 1037285107 /nfs/dbraw/zinc/28/51/07/1037285107.db2.gz DDQOZBPLCNQXPX-UHFFFAOYSA-N 0 1 386.584 3.940 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)c1C ZINC001462219827 1070093963 /nfs/dbraw/zinc/09/39/63/1070093963.db2.gz HKRBTTCZRQGIEE-UHFFFAOYSA-N 0 1 377.872 3.564 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1Cl ZINC001232269573 1037993703 /nfs/dbraw/zinc/99/37/03/1037993703.db2.gz FFDCVPPIDUIEBM-ZFWWWQNUSA-N 0 1 396.915 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1Cl ZINC001232269573 1037993706 /nfs/dbraw/zinc/99/37/06/1037993706.db2.gz FFDCVPPIDUIEBM-ZFWWWQNUSA-N 0 1 396.915 3.743 20 10 GHCDMN COC(=O)c1c(CN2CC[C@H](OCc3ccccc3)C2)c2ccccc2n1C ZINC001232403958 1038187274 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GHCDMN CCCCOC[C@H](O)CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001252518123 1039016968 /nfs/dbraw/zinc/01/69/68/1039016968.db2.gz UPCILRIEQWQIRI-HSZRJFAPSA-N 0 1 398.547 3.565 20 10 GHCDMN CCOC(=O)c1c(CN2CCC(N(C(C)=O)C(C)C)CC2)c2ccccc2n1C ZINC001233273178 1039042066 /nfs/dbraw/zinc/04/20/66/1039042066.db2.gz QTVMWUHQFDOUOI-UHFFFAOYSA-N 0 1 399.535 3.576 20 10 GHCDMN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001233306016 1039096702 /nfs/dbraw/zinc/09/67/02/1039096702.db2.gz BZJHKNNCAGYMFF-GFCCVEGCSA-N 0 1 396.203 3.511 20 10 GHCDMN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001233307664 1039098244 /nfs/dbraw/zinc/09/82/44/1039098244.db2.gz MMEBZRKMAVPVST-LLVKDONJSA-N 0 1 396.203 3.716 20 10 GHCDMN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[O-])C2)n1 ZINC001233455284 1039346760 /nfs/dbraw/zinc/34/67/60/1039346760.db2.gz DRXOADHHHZFQFO-OAHLLOKOSA-N 0 1 382.382 3.858 20 10 GHCDMN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[O-])C2)n1 ZINC001233455284 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3.669 20 10 GHCDMN Cc1cc(O)c(CN(C)CCOCCN(C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC001462437655 1070252981 /nfs/dbraw/zinc/25/29/81/1070252981.db2.gz LEUGIUOCDBVEHL-UHFFFAOYSA-N 0 1 386.920 3.669 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)c4ccccc4n3)cc2)CC1 ZINC001462467201 1070275153 /nfs/dbraw/zinc/27/51/53/1070275153.db2.gz MHSZEXORNAEXPQ-UHFFFAOYSA-N 0 1 394.906 3.570 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN1CCO[C@H](COc2ccccc2)C1 ZINC001235067033 1040557610 /nfs/dbraw/zinc/55/76/10/1040557610.db2.gz OZGGVQYSQPTYQX-INIZCTEOSA-N 0 1 396.256 3.574 20 10 GHCDMN Oc1ccc([C@H]2C[N@H+](C3CCOCC3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001255044194 1040748840 /nfs/dbraw/zinc/74/88/40/1040748840.db2.gz MDZADTLYOKJTNT-GOSISDBHSA-N 0 1 389.879 3.626 20 10 GHCDMN [O-]c1c(O)cc2c(c1Cl)CC[N@H+](C1CCOCC1)C[C@@H]2c1ccc(O)cc1 ZINC001255044194 1040748860 /nfs/dbraw/zinc/74/88/60/1040748860.db2.gz MDZADTLYOKJTNT-GOSISDBHSA-N 0 1 389.879 3.626 20 10 GHCDMN [O-]c1c(O)cc2c(c1Cl)CC[N@@H+](C1CCOCC1)C[C@@H]2c1ccc(O)cc1 ZINC001255044194 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20 10 GHCDMN Cc1cccc(O)c1CN1Cc2c(cnn2CC2CC2)[C@H](COCC2CC2)C1 ZINC001237488556 1042231587 /nfs/dbraw/zinc/23/15/87/1042231587.db2.gz NLKOHABQYDWHPV-IBGZPJMESA-N 0 1 381.520 3.833 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001237619526 1042286066 /nfs/dbraw/zinc/28/60/66/1042286066.db2.gz RFTKYJSVNPVBTJ-UHFFFAOYSA-N 0 1 390.890 3.857 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001237619112 1042286302 /nfs/dbraw/zinc/28/63/02/1042286302.db2.gz MWDXIFOVTXXSQH-QXAKKESOSA-N 0 1 392.858 3.781 20 10 GHCDMN COc1ncnc2c1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)CC2 ZINC001237643964 1042300700 /nfs/dbraw/zinc/30/07/00/1042300700.db2.gz UXOVPOWZLIHBRV-UHFFFAOYSA-N 0 1 379.435 3.598 20 10 GHCDMN Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001237645330 1042301303 /nfs/dbraw/zinc/30/13/03/1042301303.db2.gz KLTUDUNIBZTBKH-HSZRJFAPSA-N 0 1 390.462 3.843 20 10 GHCDMN Cc1ccnc(O[C@@H]2CCCN(Cc3cc(Br)c(C)cc3O)C2)n1 ZINC001237683890 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WGUDXDUYDPPNPR-WBVHZDCISA-N 0 1 376.859 3.522 20 10 GHCDMN NS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cc1 ZINC001462625314 1070423315 /nfs/dbraw/zinc/42/33/15/1070423315.db2.gz GEQPUYLJYZMFDU-UHFFFAOYSA-N 0 1 396.512 3.572 20 10 GHCDMN CCC(CC)(NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1nn[nH]n1 ZINC001297488189 1045538267 /nfs/dbraw/zinc/53/82/67/1045538267.db2.gz UGYBMJLPHDXCHP-UHFFFAOYSA-N 0 1 386.887 3.706 20 10 GHCDMN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)Cc3ccccc3F)cccc21 ZINC001260621590 1045576247 /nfs/dbraw/zinc/57/62/47/1045576247.db2.gz URJYBGYMENQSJA-UHFFFAOYSA-N 0 1 395.411 3.543 20 10 GHCDMN Fc1cc(CNCc2ccccc2N2CCCC2)cc(F)c1N1CCOCC1 ZINC001261298371 1045971760 /nfs/dbraw/zinc/97/17/60/1045971760.db2.gz IFSVQBZPCFDGKZ-UHFFFAOYSA-N 0 1 387.474 3.691 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(\C)c3cccs3)cc2F)CC1 ZINC001265012208 1047540588 /nfs/dbraw/zinc/54/05/88/1047540588.db2.gz RMHPTNMTZGMOCA-DTQAZKPQSA-N 0 1 387.524 3.749 20 10 GHCDMN CC(C)NC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279442639 1047809157 /nfs/dbraw/zinc/80/91/57/1047809157.db2.gz QXILUZDZFJMFIC-FQEVSTJZSA-N 0 1 379.932 3.842 20 10 GHCDMN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C3)[nH]1 ZINC001279677061 1047910921 /nfs/dbraw/zinc/91/09/21/1047910921.db2.gz XFXLHOGNKOIIHF-OCCSQVGLSA-N 0 1 394.302 3.506 20 10 GHCDMN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001279983536 1048026808 /nfs/dbraw/zinc/02/68/08/1048026808.db2.gz XRIAJCPOTFEJPY-FVCICTRLSA-N 0 1 395.341 3.527 20 10 GHCDMN CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001279983536 1048026821 /nfs/dbraw/zinc/02/68/21/1048026821.db2.gz XRIAJCPOTFEJPY-FVCICTRLSA-N 0 1 395.341 3.527 20 10 GHCDMN Cc1cccc2c(O)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc12 ZINC001306854905 1048929455 /nfs/dbraw/zinc/92/94/55/1048929455.db2.gz INSNPIBSEODWFM-UHFFFAOYSA-N 0 1 377.227 3.779 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNCc2cc(=O)n3ccccc3n2)cc1 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382.888 3.689 20 10 GHCDMN CC(C)Cc1ccccc1CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001470888093 1072792957 /nfs/dbraw/zinc/79/29/57/1072792957.db2.gz SESCTHCYNNTZEY-UHFFFAOYSA-N 0 1 394.563 3.636 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)CC1 ZINC001471190999 1072960122 /nfs/dbraw/zinc/96/01/22/1072960122.db2.gz LGLZNOBYTVRDQF-QFIPXVFZSA-N 0 1 396.510 3.624 20 10 GHCDMN CN(CCCCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001479185972 1079141009 /nfs/dbraw/zinc/14/10/09/1079141009.db2.gz YCJATUQBLMZZRF-UHFFFAOYSA-N 0 1 394.563 3.603 20 10 GHCDMN C[NH+](C)CCOc1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC001474052712 1074249471 /nfs/dbraw/zinc/24/94/71/1074249471.db2.gz ILJZSGROBKYERA-UHFFFAOYSA-N 0 1 383.261 3.846 20 10 GHCDMN COc1cc[nH+]c(NCc2cc(Br)cc(Br)c2[O-])c1 ZINC001474098208 1074263327 /nfs/dbraw/zinc/26/33/27/1074263327.db2.gz HNHYBQFDHCWISF-UHFFFAOYSA-N 0 1 388.059 3.933 20 10 GHCDMN Cc1ccc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c(O)c1 ZINC001474379632 1074375587 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PZTGOTYZMDXGCN-JTQLQIEISA-N 0 1 385.693 3.614 20 10 GHCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n[nH]1 ZINC001474433094 1074403828 /nfs/dbraw/zinc/40/38/28/1074403828.db2.gz PZTGOTYZMDXGCN-JTQLQIEISA-N 0 1 385.693 3.614 20 10 GHCDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NCCc1ccccc1 ZINC001474565424 1074464912 /nfs/dbraw/zinc/46/49/12/1074464912.db2.gz ICBQUEGTUPEYDW-OAHLLOKOSA-N 0 1 393.453 3.608 20 10 GHCDMN Cc1ccncc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000683489754 837405563 /nfs/dbraw/zinc/40/55/63/837405563.db2.gz KTJFYHCONFSSJB-GOSISDBHSA-N 0 1 390.531 3.989 20 10 GHCDMN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255888639 836380260 /nfs/dbraw/zinc/38/02/60/836380260.db2.gz WBIPOYOOPRZWMT-JKSUJKDBSA-N 0 1 379.464 3.626 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000892622911 837214534 /nfs/dbraw/zinc/21/45/34/837214534.db2.gz VCIAHRMSSAGMHF-UHFFFAOYSA-N 0 1 379.819 3.514 20 10 GHCDMN 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OEQYCXGTVYXUQV-LGMDPLHJSA-N 0 1 399.485 3.826 20 10 GHCDMN COc1ccc(CN(C(=O)C=Cc2cnccn2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC000731992651 862015707 /nfs/dbraw/zinc/01/57/07/862015707.db2.gz SCYLEMUAWDRCCX-BJMVGYQFSA-N 0 1 399.454 3.917 20 10 GHCDMN CN(CC(=O)NCc1ccc(COc2ccccc2)cc1)Cc1ccccc1O ZINC000732202764 862144626 /nfs/dbraw/zinc/14/46/26/862144626.db2.gz BKCOEDJWEFZOHE-UHFFFAOYSA-N 0 1 390.483 3.719 20 10 GHCDMN O=C(CNCc1ccc(N2CCOCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000732228173 862160115 /nfs/dbraw/zinc/16/01/15/862160115.db2.gz KEYVPBGPVGQWHZ-UHFFFAOYSA-N 0 1 394.302 3.558 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000150800122 852405018 /nfs/dbraw/zinc/40/50/18/852405018.db2.gz LEQGEJSINJSINX-ZFWWWQNUSA-N 0 1 394.487 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000150800122 852405021 /nfs/dbraw/zinc/40/50/21/852405021.db2.gz LEQGEJSINJSINX-ZFWWWQNUSA-N 0 1 394.487 3.859 20 10 GHCDMN 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O=C(NCCCSc1nccs1)c1n[nH]c2ccc(Br)cc21 ZINC000172197895 863344946 /nfs/dbraw/zinc/34/49/46/863344946.db2.gz SBWCTQHKBXPSHG-UHFFFAOYSA-N 0 1 397.323 3.694 20 10 GHCDMN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792797771 881678514 /nfs/dbraw/zinc/67/85/14/881678514.db2.gz PNFMRONPCXGJDQ-OAHLLOKOSA-N 0 1 385.474 3.756 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4occc4s3)cc2F)CC1 ZINC000736013560 865090924 /nfs/dbraw/zinc/09/09/24/865090924.db2.gz KUDHOVCRJKRTBI-UHFFFAOYSA-N 0 1 387.480 3.705 20 10 GHCDMN COc1ccc(N2CCCN(Cc3ccc(Oc4ccccc4)nn3)CC2)cc1 ZINC000766239881 865792473 /nfs/dbraw/zinc/79/24/73/865792473.db2.gz QPRYKSURIYHHSV-UHFFFAOYSA-N 0 1 390.487 3.990 20 10 GHCDMN Nc1ccc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000163992980 866242268 /nfs/dbraw/zinc/24/22/68/866242268.db2.gz IMPINGARNCRHPC-UHFFFAOYSA-N 0 1 391.437 3.565 20 10 GHCDMN COc1cccc(O)c1CNc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000742367722 867239846 /nfs/dbraw/zinc/23/98/46/867239846.db2.gz JWXWNFNJVZJFDH-UHFFFAOYSA-N 0 1 383.492 3.827 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000742403086 867294045 /nfs/dbraw/zinc/29/40/45/867294045.db2.gz MLGAEUQTYXXZMO-LJQANCHMSA-N 0 1 380.492 3.895 20 10 GHCDMN COc1ccc(N2CCN(CCNc3ncnc4cc(Cl)ccc43)CC2)cc1 ZINC000742928471 867681387 /nfs/dbraw/zinc/68/13/87/867681387.db2.gz SJNAQLKDLVQCNT-UHFFFAOYSA-N 0 1 397.910 3.526 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cn1 ZINC000793331427 882109833 /nfs/dbraw/zinc/10/98/33/882109833.db2.gz BMJSRBSXUQSGAJ-ZDUSSCGKSA-N 0 1 394.288 3.671 20 10 GHCDMN C[C@@H]1C[C@H](c2ccccc2F)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743856844 868456727 /nfs/dbraw/zinc/45/67/27/868456727.db2.gz PVZDRSIDRDXGKW-VGOFRKELSA-N 0 1 383.511 3.933 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3cccs3)cc2F)CC1 ZINC000115066727 882196841 /nfs/dbraw/zinc/19/68/41/882196841.db2.gz LJUIXWVNRYZLKM-UHFFFAOYSA-N 0 1 389.540 3.623 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCc2ccncc2)C1 ZINC000766342345 870333649 /nfs/dbraw/zinc/33/36/49/870333649.db2.gz NHXIORQHICMMJZ-UHFFFAOYSA-N 0 1 391.515 3.979 20 10 GHCDMN COc1ccc(O)c(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000181348060 870894924 /nfs/dbraw/zinc/89/49/24/870894924.db2.gz BBUWFAGVYNFIGG-QFIPXVFZSA-N 0 1 397.496 3.684 20 10 GHCDMN Cc1cc(CCNC(=O)N[C@H]2CCCc3cn[nH]c32)c(C)n1-c1ccccc1 ZINC000766853592 871929949 /nfs/dbraw/zinc/92/99/49/871929949.db2.gz ODYYWSZIYHBHRR-FQEVSTJZSA-N 0 1 377.492 3.737 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccncc3)cs2)c(C)c1C ZINC001194835085 871980637 /nfs/dbraw/zinc/98/06/37/871980637.db2.gz CLOWBDWVFDJTHV-UHFFFAOYSA-N 0 1 389.502 3.940 20 10 GHCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775648199 872270595 /nfs/dbraw/zinc/27/05/95/872270595.db2.gz QYNRDALLDFXXDS-CQSZACIVSA-N 0 1 385.302 3.562 20 10 GHCDMN Cc1cc(Br)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775648199 872270609 /nfs/dbraw/zinc/27/06/09/872270609.db2.gz QYNRDALLDFXXDS-CQSZACIVSA-N 0 1 385.302 3.562 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)CO1 ZINC000775653290 872383831 /nfs/dbraw/zinc/38/38/31/872383831.db2.gz CSLMUGCSGNFRRH-DTWKUNHWSA-N 0 1 379.092 3.526 20 10 GHCDMN COc1cc(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cnc1Cl ZINC000767690459 872771871 /nfs/dbraw/zinc/77/18/71/872771871.db2.gz NAAVGAAJVBGWJE-UHFFFAOYSA-N 0 1 395.912 3.781 20 10 GHCDMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767766290 872820203 /nfs/dbraw/zinc/82/02/03/872820203.db2.gz RTEBJNCNPGMCGI-VGOFRKELSA-N 0 1 388.552 3.828 20 10 GHCDMN O=S(=O)(Nc1ccn2cnnc2c1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197163148 873632417 /nfs/dbraw/zinc/63/24/17/873632417.db2.gz YXBCJXWURYFPRN-QZQOTICOSA-N 0 1 378.417 3.946 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(Br)cc1[O-] ZINC000528003681 873873310 /nfs/dbraw/zinc/87/33/10/873873310.db2.gz LLVSYVKTNDVTKA-MEDUHNTESA-N 0 1 375.266 3.632 20 10 GHCDMN CCCN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000769210835 873891632 /nfs/dbraw/zinc/89/16/32/873891632.db2.gz IYVATVNPKDBPLG-SFHVURJKSA-N 0 1 399.510 3.902 20 10 GHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333736 873973168 /nfs/dbraw/zinc/97/31/68/873973168.db2.gz JVPAEZISNYVKHA-ZDUSSCGKSA-N 0 1 385.302 3.596 20 10 GHCDMN CN(C)c1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000769475196 874095300 /nfs/dbraw/zinc/09/53/00/874095300.db2.gz VLROGLXFAYFTOQ-NRFANRHFSA-N 0 1 379.504 3.681 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@@H]2CCCC2=O)C1 ZINC000769662399 874219056 /nfs/dbraw/zinc/21/90/56/874219056.db2.gz BPIJNDIVAZMKFC-KRWDZBQOSA-N 0 1 382.504 3.710 20 10 GHCDMN O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc4nccnc4c3)c21 ZINC001198152580 874248924 /nfs/dbraw/zinc/24/89/24/874248924.db2.gz JNZDRPXQZZABEV-UHFFFAOYSA-N 0 1 387.420 3.642 20 10 GHCDMN CC(C)NC(=O)Nc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858102498 882848394 /nfs/dbraw/zinc/84/83/94/882848394.db2.gz YSTOUTKVLPBZGQ-UHFFFAOYSA-N 0 1 376.451 3.851 20 10 GHCDMN COc1cccc(N2CC[C@@H](C[NH2+]Cc3c([O-])cccc3Br)C2)c1 ZINC000858121825 882860283 /nfs/dbraw/zinc/86/02/83/882860283.db2.gz AOCGELNMRNJKLY-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncccc3Br)cc2F)CC1 ZINC000804440645 882879571 /nfs/dbraw/zinc/87/95/71/882879571.db2.gz JWRXXMQWHOGEAQ-UHFFFAOYSA-N 0 1 393.304 3.737 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000858164230 882900889 /nfs/dbraw/zinc/90/08/89/882900889.db2.gz UAUJYLFKYIRXEV-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000858167852 882904306 /nfs/dbraw/zinc/90/43/06/882904306.db2.gz KFFKALOBAZZHIG-UHFFFAOYSA-N 0 1 375.188 3.901 20 10 GHCDMN COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000771790658 875462458 /nfs/dbraw/zinc/46/24/58/875462458.db2.gz FKPSECIJCKZFOW-UHFFFAOYSA-N 0 1 385.508 3.577 20 10 GHCDMN CN1CCN(c2ccc(CNc3cccc(CC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC000771844201 875483121 /nfs/dbraw/zinc/48/31/21/875483121.db2.gz XATXZYUDXZSTSM-UHFFFAOYSA-N 0 1 395.547 3.935 20 10 GHCDMN CCOc1cc2c(cc1NCc1ccc(N3CCN(C)CC3)cc1)O[C@H](C)C2 ZINC001201079716 875514288 /nfs/dbraw/zinc/51/42/88/875514288.db2.gz SQNMYDOIFAIHSQ-QGZVFWFLSA-N 0 1 381.520 3.773 20 10 GHCDMN Cc1cc(Br)cnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000786189987 876511067 /nfs/dbraw/zinc/51/10/67/876511067.db2.gz BOERWHBJNFPMBH-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cc(F)ccc3OC(F)F)cc2)CC1 ZINC000850406286 876888131 /nfs/dbraw/zinc/88/81/31/876888131.db2.gz ACXYEYLTTGCVMJ-UHFFFAOYSA-N 0 1 380.410 3.678 20 10 GHCDMN COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000850482672 876956940 /nfs/dbraw/zinc/95/69/40/876956940.db2.gz QSDPHNBQZCJYOJ-FXAWDEMLSA-N 0 1 395.499 3.825 20 10 GHCDMN COc1cc(N2CCN(Cc3ccc4cnccc4c3)CC2)cc(OC)c1OC ZINC000787270287 877309661 /nfs/dbraw/zinc/30/96/61/877309661.db2.gz GAVRALQOQNKQEA-UHFFFAOYSA-N 0 1 393.487 3.583 20 10 GHCDMN C[C@H](O)[C@](C)(C[NH2+]Cc1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000791002449 880128160 /nfs/dbraw/zinc/12/81/60/880128160.db2.gz ICTRYDKFSLQMDV-LIRRHRJNSA-N 0 1 378.310 3.874 20 10 GHCDMN CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000792185623 880973113 /nfs/dbraw/zinc/97/31/13/880973113.db2.gz AUGJGLDOSJWEHO-QHCPKHFHSA-N 0 1 396.510 3.844 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000792195313 880982215 /nfs/dbraw/zinc/98/22/15/880982215.db2.gz HNLJVPYPHVPRTA-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN COCCOc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000804958598 883510991 /nfs/dbraw/zinc/51/09/91/883510991.db2.gz FFBLHRXBKGNIRL-UHFFFAOYSA-N 0 1 399.274 3.724 20 10 GHCDMN Cc1ccc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(F)c1 ZINC000805135973 883614998 /nfs/dbraw/zinc/61/49/98/883614998.db2.gz XLXVXKCMRRECLM-UHFFFAOYSA-N 0 1 378.252 3.766 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)ccc2O)C1=O ZINC001275242529 912805264 /nfs/dbraw/zinc/80/52/64/912805264.db2.gz VXNIIGHVDDNBKO-UGSOOPFHSA-N 0 1 381.314 3.520 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(N2CCOC2=O)c1 ZINC000806199401 884439388 /nfs/dbraw/zinc/43/93/88/884439388.db2.gz YTNXWCZVUYVNOL-UHFFFAOYSA-N 0 1 396.230 3.977 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(N2CCC2=O)c1 ZINC000806498584 884744929 /nfs/dbraw/zinc/74/49/29/884744929.db2.gz MRGPYWOGBIIQNM-UHFFFAOYSA-N 0 1 380.231 3.757 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000806599423 884841257 /nfs/dbraw/zinc/84/12/57/884841257.db2.gz RSCJEKTZRBMMDJ-UHFFFAOYSA-N 0 1 385.272 3.957 20 10 GHCDMN CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000795850324 912909499 /nfs/dbraw/zinc/90/94/99/912909499.db2.gz YBCMZQVHFRCAKI-MLGOLLRUSA-N 0 1 377.282 3.683 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000807513226 885498659 /nfs/dbraw/zinc/49/86/59/885498659.db2.gz UZKXVVQDKGIVIP-UHFFFAOYSA-N 0 1 397.233 3.970 20 10 GHCDMN COc1ccc2c(c1)OC[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000807839833 885771287 /nfs/dbraw/zinc/77/12/87/885771287.db2.gz RQGKLFMYIQLRQA-GFCCVEGCSA-N 0 1 382.243 3.575 20 10 GHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000807841081 885773477 /nfs/dbraw/zinc/77/34/77/885773477.db2.gz QYWHLUGCEOXJFH-ZJUUUORDSA-N 0 1 391.295 3.865 20 10 GHCDMN COc1ccc2c(c1)OC[C@H]2CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837382 885802807 /nfs/dbraw/zinc/80/28/07/885802807.db2.gz NVJPIGOAPOIRCA-LLVKDONJSA-N 0 1 382.243 3.890 20 10 GHCDMN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837994 885804582 /nfs/dbraw/zinc/80/45/82/885804582.db2.gz IPEYORQDWRXRAV-LLVKDONJSA-N 0 1 382.243 3.985 20 10 GHCDMN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839321 885805619 /nfs/dbraw/zinc/80/56/19/885805619.db2.gz BXILNCNPTFZKHX-VXGBXAGGSA-N 0 1 387.307 3.600 20 10 GHCDMN COc1ccc2c(c1)C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)CO2 ZINC000807839152 885805651 /nfs/dbraw/zinc/80/56/51/885805651.db2.gz XYHCBTTUUFEDFB-LBPRGKRZSA-N 0 1 382.243 3.575 20 10 GHCDMN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839493 885806181 /nfs/dbraw/zinc/80/61/81/885806181.db2.gz NVZHVDPUEAWWMA-NSHDSACASA-N 0 1 387.307 3.600 20 10 GHCDMN CC(C)N(CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(N(C)C)cc1 ZINC000919648387 886064862 /nfs/dbraw/zinc/06/48/62/886064862.db2.gz OGZZIVKNWVMEOK-NRFANRHFSA-N 0 1 381.520 3.603 20 10 GHCDMN Cc1nc(C)c(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1 ZINC000862291679 886281379 /nfs/dbraw/zinc/28/13/79/886281379.db2.gz MYAZSNPHAXSENQ-GOSISDBHSA-N 0 1 388.512 3.713 20 10 GHCDMN C[C@@](O)(C1CCN(Cc2c(O)cccc2Br)CC1)C(F)(F)F ZINC000862333164 886296568 /nfs/dbraw/zinc/29/65/68/886296568.db2.gz MTODJEGQNIXEOY-CQSZACIVSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@@](O)(C1CC[NH+](Cc2c([O-])cccc2Br)CC1)C(F)(F)F ZINC000862333164 886296583 /nfs/dbraw/zinc/29/65/83/886296583.db2.gz MTODJEGQNIXEOY-CQSZACIVSA-N 0 1 382.220 3.680 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000862354551 886314027 /nfs/dbraw/zinc/31/40/27/886314027.db2.gz BCKRTXFRIWXYKU-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000862354551 886314048 /nfs/dbraw/zinc/31/40/48/886314048.db2.gz BCKRTXFRIWXYKU-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1C[C@@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001168245031 886617446 /nfs/dbraw/zinc/61/74/46/886617446.db2.gz XEPOFNWYBYMVBB-MOPGFXCFSA-N 0 1 396.531 3.981 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O ZINC000119275966 886874791 /nfs/dbraw/zinc/87/47/91/886874791.db2.gz FSYMPXHURRUDRK-OAHLLOKOSA-N 0 1 380.410 3.976 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000747547144 887167517 /nfs/dbraw/zinc/16/75/17/887167517.db2.gz MOIIUKDRSQEYPX-UHFFFAOYSA-N 0 1 378.480 3.777 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)Nc2cnn(-c3ccncc3)c2)C2CC2)cc1 ZINC000747548072 887192796 /nfs/dbraw/zinc/19/27/96/887192796.db2.gz UDXHJNXYRPITSP-UHFFFAOYSA-N 0 1 376.464 3.530 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CCCS2)C1 ZINC001131617105 887226157 /nfs/dbraw/zinc/22/61/57/887226157.db2.gz WBJWBXWEBIWRJB-KRWDZBQOSA-N 0 1 385.577 3.810 20 10 GHCDMN CC(C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000863985365 887499182 /nfs/dbraw/zinc/49/91/82/887499182.db2.gz WUFTXQAUISKPQW-UHFFFAOYSA-N 0 1 389.304 3.998 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000809697016 887675617 /nfs/dbraw/zinc/67/56/17/887675617.db2.gz BOADMBDTGQLYTG-GXTWGEPZSA-N 0 1 384.364 3.764 20 10 GHCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(O)c1 ZINC000809751480 887788617 /nfs/dbraw/zinc/78/86/17/887788617.db2.gz GJVRRHJNTSCSDS-GOSISDBHSA-N 0 1 378.476 3.956 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212402 888291226 /nfs/dbraw/zinc/29/12/26/888291226.db2.gz AMZVYGRMWBJQNV-CVEARBPZSA-N 0 1 383.414 3.718 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210051 888319926 /nfs/dbraw/zinc/31/99/26/888319926.db2.gz ZGSIXCYTLJCMGB-QGZVFWFLSA-N 0 1 395.425 3.884 20 10 GHCDMN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000810255353 888358423 /nfs/dbraw/zinc/35/84/23/888358423.db2.gz JSAGLFOWWKHTCL-RBZFPXEDSA-N 0 1 379.884 3.707 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000866434866 888874086 /nfs/dbraw/zinc/87/40/86/888874086.db2.gz YRYBYIWFLAPHBJ-OAHLLOKOSA-N 0 1 377.370 3.628 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)C3(Cc4cccc(Cl)c4)CC3)cc2)CC1 ZINC001132902543 889805482 /nfs/dbraw/zinc/80/54/82/889805482.db2.gz NAGFKGLZCHZFQF-UHFFFAOYSA-N 0 1 397.950 3.731 20 10 GHCDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000811702355 889907557 /nfs/dbraw/zinc/90/75/57/889907557.db2.gz NHZRFSQPIFYZHI-UHFFFAOYSA-N 0 1 380.224 3.785 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)CC(C)(C)C)CC2)cc1 ZINC000916731495 890143642 /nfs/dbraw/zinc/14/36/42/890143642.db2.gz IBCQLCUTXRMNTR-LJQANCHMSA-N 0 1 389.584 3.786 20 10 GHCDMN CC(C)OC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC001133163161 890360078 /nfs/dbraw/zinc/36/00/78/890360078.db2.gz KOINNIUVISNEIP-UHFFFAOYSA-N 0 1 397.563 3.872 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780661 890959137 /nfs/dbraw/zinc/95/91/37/890959137.db2.gz MIIJZNOKQHPWFY-FQEVSTJZSA-N 0 1 390.321 3.972 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780661 890959142 /nfs/dbraw/zinc/95/91/42/890959142.db2.gz MIIJZNOKQHPWFY-FQEVSTJZSA-N 0 1 390.321 3.972 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000812780904 890962055 /nfs/dbraw/zinc/96/20/55/890962055.db2.gz ASUYZWOYCUHLPS-LJQANCHMSA-N 0 1 376.294 3.599 20 10 GHCDMN COc1ccc([C@@H](O)C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cc1 ZINC000812854901 891005098 /nfs/dbraw/zinc/00/50/98/891005098.db2.gz AERPHXRKQILATE-OAQYLSRUSA-N 0 1 387.451 3.688 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000917134058 891412090 /nfs/dbraw/zinc/41/20/90/891412090.db2.gz MJKJKBOLJLSIEJ-HXUWFJFHSA-N 0 1 390.531 3.730 20 10 GHCDMN C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(Br)cc1[O-] ZINC000813881682 892063226 /nfs/dbraw/zinc/06/32/26/892063226.db2.gz TWRGQKQNDOQWPF-LBPRGKRZSA-N 0 1 387.277 3.857 20 10 GHCDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774826289 913626888 /nfs/dbraw/zinc/62/68/88/913626888.db2.gz MIEYLTGGJISXAH-HNNXBMFYSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000774826289 913626896 /nfs/dbraw/zinc/62/68/96/913626896.db2.gz MIEYLTGGJISXAH-HNNXBMFYSA-N 0 1 388.420 3.663 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccn(C(C)C)c3C)cc2F)CC1 ZINC000815492470 893918723 /nfs/dbraw/zinc/91/87/23/893918723.db2.gz NRVZPVZHNQWHEW-UHFFFAOYSA-N 0 1 386.515 3.588 20 10 GHCDMN C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826029316 894086556 /nfs/dbraw/zinc/08/65/56/894086556.db2.gz DJYCQMZFZYMZCS-LBPRGKRZSA-N 0 1 387.318 3.938 20 10 GHCDMN CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000127220696 894416581 /nfs/dbraw/zinc/41/65/81/894416581.db2.gz CMPIFROCAJZGNJ-KRWDZBQOSA-N 0 1 399.560 3.704 20 10 GHCDMN CSc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000127220696 894416588 /nfs/dbraw/zinc/41/65/88/894416588.db2.gz CMPIFROCAJZGNJ-KRWDZBQOSA-N 0 1 399.560 3.704 20 10 GHCDMN Cn1nccc1-c1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816480977 894850616 /nfs/dbraw/zinc/85/06/16/894850616.db2.gz DDTPYVVDJUZAIV-FQEVSTJZSA-N 0 1 377.488 3.974 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](F)Cc1ccccc1 ZINC000778391688 894865795 /nfs/dbraw/zinc/86/57/95/894865795.db2.gz WTKNHZHPMFMYAS-RBUKOAKNSA-N 0 1 390.886 3.707 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816521122 894876038 /nfs/dbraw/zinc/87/60/38/894876038.db2.gz HREFSBQKAWXMOQ-BEFAXECRSA-N 0 1 386.492 3.659 20 10 GHCDMN COCCOc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816516969 894893866 /nfs/dbraw/zinc/89/38/66/894893866.db2.gz YVNGABOSCHIYQU-UHFFFAOYSA-N 0 1 392.499 3.893 20 10 GHCDMN O=C(NCC[NH2+]Cc1ccc2ccccc2c1[O-])c1ccc(Br)cc1 ZINC000816537491 894908140 /nfs/dbraw/zinc/90/81/40/894908140.db2.gz HKLAAHLLDUMQGQ-UHFFFAOYSA-N 0 1 399.288 3.828 20 10 GHCDMN CN(C)Cc1ccnc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000880595665 895763324 /nfs/dbraw/zinc/76/33/24/895763324.db2.gz UGLSZCRMPPFMKH-UHFFFAOYSA-N 0 1 381.524 3.797 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1[O-] ZINC000883263309 897417252 /nfs/dbraw/zinc/41/72/52/897417252.db2.gz PGBNHGOHNHVLFQ-DZGCQCFKSA-N 0 1 384.314 3.781 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(Br)ccc1[O-] ZINC000883263422 897417430 /nfs/dbraw/zinc/41/74/30/897417430.db2.gz SGNSYKJQHRWYBN-HIFRSBDPSA-N 0 1 384.314 3.781 20 10 GHCDMN C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824591888 899707940 /nfs/dbraw/zinc/70/79/40/899707940.db2.gz ASIFIYQGMDASSN-AWEZNQCLSA-N 0 1 395.341 3.625 20 10 GHCDMN CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2cccc(C)c2O)CC1 ZINC000824616628 899722965 /nfs/dbraw/zinc/72/29/65/899722965.db2.gz XUPMDCJOLLCAQG-UHFFFAOYSA-N 0 1 381.472 3.729 20 10 GHCDMN C[C@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000824771158 899796686 /nfs/dbraw/zinc/79/66/86/899796686.db2.gz PSVJLPMPZPPQDX-MRXNPFEDSA-N 0 1 386.459 3.731 20 10 GHCDMN C[C@H](c1ccccc1)[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000824771158 899796694 /nfs/dbraw/zinc/79/66/94/899796694.db2.gz PSVJLPMPZPPQDX-MRXNPFEDSA-N 0 1 386.459 3.731 20 10 GHCDMN C[C@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000824771158 899796701 /nfs/dbraw/zinc/79/67/01/899796701.db2.gz PSVJLPMPZPPQDX-MRXNPFEDSA-N 0 1 386.459 3.731 20 10 GHCDMN COc1cccc([C@H](C[NH2+]Cc2ccc(Br)cc2[O-])N(C)C)c1 ZINC000825044453 899949681 /nfs/dbraw/zinc/94/96/81/899949681.db2.gz VROPNVBTBICMMZ-KRWDZBQOSA-N 0 1 379.298 3.556 20 10 GHCDMN COc1c([O-])c(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC000825123635 899993493 /nfs/dbraw/zinc/99/34/93/899993493.db2.gz AZXSDXGCRZVMIR-UHFFFAOYSA-N 0 1 382.338 3.927 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000825168185 900009449 /nfs/dbraw/zinc/00/94/49/900009449.db2.gz VQKHEIFTSMCYLC-AWEZNQCLSA-N 0 1 391.309 3.842 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825337246 900101081 /nfs/dbraw/zinc/10/10/81/900101081.db2.gz FIPZOBJCCBJTQS-JTQLQIEISA-N 0 1 393.119 3.512 20 10 GHCDMN CCCCNC(=O)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216486059 900375928 /nfs/dbraw/zinc/37/59/28/900375928.db2.gz JWHDYOHPUPXHAA-KRWDZBQOSA-N 0 1 383.492 3.581 20 10 GHCDMN COc1cc2c(cc1OC)CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144308575 901705207 /nfs/dbraw/zinc/70/52/07/901705207.db2.gz PYHYJPYYZZUCKS-UHFFFAOYSA-N 0 1 382.229 3.827 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981770 902490608 /nfs/dbraw/zinc/49/06/08/902490608.db2.gz QQCSKMRUVKKGNP-OCCSQVGLSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981770 902490616 /nfs/dbraw/zinc/49/06/16/902490616.db2.gz QQCSKMRUVKKGNP-OCCSQVGLSA-N 0 1 396.915 3.983 20 10 GHCDMN O=C(NCC[NH+]1CCCC1)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000845991980 902555746 /nfs/dbraw/zinc/55/57/46/902555746.db2.gz GHKQUYKSCOCCAE-UHFFFAOYSA-N 0 1 391.874 3.622 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000047882881 902585369 /nfs/dbraw/zinc/58/53/69/902585369.db2.gz VCXVRUHWMJEIDQ-HXUWFJFHSA-N 0 1 382.508 3.516 20 10 GHCDMN COc1ccccc1[C@H](CO)N[C@H](C)c1cc(Br)cc(C)c1O ZINC000779032455 903253522 /nfs/dbraw/zinc/25/35/22/903253522.db2.gz PVCJAYCSKNLMSG-WBMJQRKESA-N 0 1 380.282 3.856 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256357 904619658 /nfs/dbraw/zinc/61/96/58/904619658.db2.gz BWWKFVHFOAABRW-MSOLQXFVSA-N 0 1 395.499 3.967 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1cccc(C)c1 ZINC000773315119 904707066 /nfs/dbraw/zinc/70/70/66/904707066.db2.gz NJJROYDLWLKPGN-INIZCTEOSA-N 0 1 380.448 3.511 20 10 GHCDMN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000189486685 905101647 /nfs/dbraw/zinc/10/16/47/905101647.db2.gz QOAWFXATTAJYHI-UHFFFAOYSA-N 0 1 397.313 3.812 20 10 GHCDMN COc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1Cl ZINC000174911933 905388789 /nfs/dbraw/zinc/38/87/89/905388789.db2.gz OBXPHEVACUPJKO-XNTDXEJSSA-N 0 1 382.938 3.644 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nccc3cc[nH]c32)C1 ZINC000628646236 906225197 /nfs/dbraw/zinc/22/51/97/906225197.db2.gz OPAJFQWOAZHIBY-UHFFFAOYSA-N 0 1 387.487 3.923 20 10 GHCDMN C[C@H](NCc1cccc2c1OCCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000181461027 907006551 /nfs/dbraw/zinc/00/65/51/907006551.db2.gz GMDHXBKEMGWZSA-INIZCTEOSA-N 0 1 386.467 3.674 20 10 GHCDMN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185826889 907840456 /nfs/dbraw/zinc/84/04/56/907840456.db2.gz XIUWEJOFAJQMDP-YVEFUNNKSA-N 0 1 380.282 3.938 20 10 GHCDMN CCOC(=O)N1CCC([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])CC1 ZINC000192882407 907993620 /nfs/dbraw/zinc/99/36/20/907993620.db2.gz YTDNSUYQMQESGJ-HNNXBMFYSA-N 0 1 385.302 3.816 20 10 GHCDMN CN(C)c1ccc(/C=C/CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC001179332841 909492278 /nfs/dbraw/zinc/49/22/78/909492278.db2.gz HKTGDCBYNOWXON-GNAXCBTBSA-N 0 1 387.886 3.953 20 10 GHCDMN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001179684310 909643295 /nfs/dbraw/zinc/64/32/95/909643295.db2.gz QCGYMGTZSOAHKK-AVAOGFIGSA-N 0 1 396.462 3.517 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2c3nn[nH]c3ccc2C)cc1 ZINC001180765757 910348408 /nfs/dbraw/zinc/34/84/08/910348408.db2.gz ZFHCTTQNZRNWHG-UHFFFAOYSA-N 0 1 387.443 3.668 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cn1 ZINC000271288041 910849273 /nfs/dbraw/zinc/84/92/73/910849273.db2.gz DOEXWKZZAUVORG-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000283851774 911669730 /nfs/dbraw/zinc/66/97/30/911669730.db2.gz FWEMXIUPMBVYQV-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093280834 912161316 /nfs/dbraw/zinc/16/13/16/912161316.db2.gz YIPJCOIAFIAJHM-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093280834 912161322 /nfs/dbraw/zinc/16/13/22/912161322.db2.gz YIPJCOIAFIAJHM-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093280834 912161328 /nfs/dbraw/zinc/16/13/28/912161328.db2.gz YIPJCOIAFIAJHM-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291141000 915003209 /nfs/dbraw/zinc/00/32/09/915003209.db2.gz CTYHPMQTSNOQCD-ZDUSSCGKSA-N 0 1 385.439 3.504 20 10 GHCDMN COC(=O)/C=C/c1ccc(N2CCC(c3nc(C)c(C)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001187640936 915408398 /nfs/dbraw/zinc/40/83/98/915408398.db2.gz WZYZKKVIVBQBMJ-FNORWQNLSA-N 0 1 384.436 3.505 20 10 GHCDMN CN(C)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC001189756715 916882415 /nfs/dbraw/zinc/88/24/15/916882415.db2.gz NJWUJAMAPQQBKY-UHFFFAOYSA-N 0 1 389.702 3.969 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775484308 918234836 /nfs/dbraw/zinc/23/48/36/918234836.db2.gz AZTHNSSRHKUGHH-DLBZAZTESA-N 0 1 385.346 3.552 20 10 GHCDMN COc1c(O)cccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000298688498 920809207 /nfs/dbraw/zinc/80/92/07/920809207.db2.gz JDJVRXSMBMFMPZ-UHFFFAOYSA-N 0 1 396.409 3.546 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802655371 922311957 /nfs/dbraw/zinc/31/19/57/922311957.db2.gz VVZGQFOANBHSID-SFHVURJKSA-N 0 1 399.875 3.691 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000802655015 922314762 /nfs/dbraw/zinc/31/47/62/922314762.db2.gz RCOJTMYRWGQEEC-SFHVURJKSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000802655015 922314767 /nfs/dbraw/zinc/31/47/67/922314767.db2.gz RCOJTMYRWGQEEC-SFHVURJKSA-N 0 1 399.329 3.891 20 10 GHCDMN Cc1nc2ccccn2c1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903421305 923007408 /nfs/dbraw/zinc/00/74/08/923007408.db2.gz GXSCOFFDDHDDMB-HNNXBMFYSA-N 0 1 384.911 3.984 20 10 GHCDMN CC[C@H](C)N1CCC2(CC[NH+](Cc3c([O-])cccc3Br)CC2)C1=O ZINC001276076914 925236172 /nfs/dbraw/zinc/23/61/72/925236172.db2.gz ACNJFFMTJKQQLR-AWEZNQCLSA-N 0 1 395.341 3.768 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276079182 925268579 /nfs/dbraw/zinc/26/85/79/925268579.db2.gz XUVOYPOWQDZEAP-ACJLOTCBSA-N 0 1 381.314 3.520 20 10 GHCDMN NC(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000726969282 926962348 /nfs/dbraw/zinc/96/23/48/926962348.db2.gz PXFFVWNPHZUKNG-IBGZPJMESA-N 0 1 379.464 3.770 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+](C)C[C@H]2CCOC2)c(=O)c1-c1ccccc1 ZINC000749964537 927374979 /nfs/dbraw/zinc/37/49/79/927374979.db2.gz PKFDFKHTKLVKLK-MRXNPFEDSA-N 0 1 379.456 3.942 20 10 GHCDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800278 929804744 /nfs/dbraw/zinc/80/47/44/929804744.db2.gz YQENKOAWAZAGAM-VGOFRKELSA-N 0 1 396.535 3.540 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000781903344 931019459 /nfs/dbraw/zinc/01/94/59/931019459.db2.gz ZJBQHESMUDREDB-UHFFFAOYSA-N 0 1 382.327 3.632 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC000782485079 931238757 /nfs/dbraw/zinc/23/87/57/931238757.db2.gz XCJYSOUCJRPDGV-UHFFFAOYSA-N 0 1 376.504 3.652 20 10 GHCDMN COC(=O)COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000783372969 931527889 /nfs/dbraw/zinc/52/78/89/931527889.db2.gz WZCIWHLCBVIIGZ-UHFFFAOYSA-N 0 1 381.428 3.739 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCc4c(Cl)ccnc43)cc2)CC1 ZINC000926873655 932332609 /nfs/dbraw/zinc/33/26/09/932332609.db2.gz NFAYAWDVSNIANC-HXUWFJFHSA-N 0 1 398.938 3.604 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(Br)cc1[O-] ZINC000798000745 932485022 /nfs/dbraw/zinc/48/50/22/932485022.db2.gz FYQCYSXZKYHPGD-LZWOXQAQSA-N 0 1 395.341 3.987 20 10 GHCDMN Oc1ccccc1CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000798962774 932842397 /nfs/dbraw/zinc/84/23/97/932842397.db2.gz ZDGGJGHKAUEZFF-UHFFFAOYSA-N 0 1 379.273 3.612 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2cncn2c1C ZINC001116528306 933611341 /nfs/dbraw/zinc/61/13/41/933611341.db2.gz WLNDQDIZYRAZCI-UHFFFAOYSA-N 0 1 388.265 3.773 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H]([C@H]3CCOC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828461250 935636465 /nfs/dbraw/zinc/63/64/65/935636465.db2.gz PKURXAZPLZTJFD-IRXDYDNUSA-N 0 1 387.911 3.684 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@](OC)(C(F)(F)F)C3)cc2)CC1 ZINC000829092926 935765916 /nfs/dbraw/zinc/76/59/16/935765916.db2.gz RYKRFDRRDDELCO-LJQANCHMSA-N 0 1 386.458 3.845 20 10 GHCDMN O=C([O-])[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000756348431 978698665 /nfs/dbraw/zinc/69/86/65/978698665.db2.gz KOEUQNJRMOMUAB-AWEZNQCLSA-N 0 1 388.620 3.863 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001591634928 992942622 /nfs/dbraw/zinc/94/26/22/992942622.db2.gz GKRPYQNKLCXTNZ-UHFFFAOYSA-N 0 1 391.471 3.745 20 10 GHCDMN COc1ccc(N2CCC[N@@H+](Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)cc1 ZINC001599585104 993602545 /nfs/dbraw/zinc/60/25/45/993602545.db2.gz JWAXQRLXEAPOQG-UHFFFAOYSA-N 0 1 379.460 3.587 20 10 GHCDMN COc1cccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)c1O ZINC001599670708 994806304 /nfs/dbraw/zinc/80/63/04/994806304.db2.gz GMFRTWIZZPVYKS-UHFFFAOYSA-N 0 1 394.265 3.640 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c(O)c(C(C)(C)C)c1 ZINC001599405138 997283167 /nfs/dbraw/zinc/28/31/67/997283167.db2.gz ODZFCGSBOSACMA-UHFFFAOYSA-N 0 1 387.476 3.794 20 10 GHCDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1C)CC2 ZINC001599466053 998362864 /nfs/dbraw/zinc/36/28/64/998362864.db2.gz VXYXZUPCEHFQAH-FQEVSTJZSA-N 0 1 398.503 3.652 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190903 1032330803 /nfs/dbraw/zinc/33/08/03/1032330803.db2.gz AEASKZSCQRNXRX-IFXJQAMLSA-N 0 1 395.341 3.829 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190903 1032330816 /nfs/dbraw/zinc/33/08/16/1032330816.db2.gz AEASKZSCQRNXRX-IFXJQAMLSA-N 0 1 395.341 3.829 20 10 GHCDMN CO[C@H](C)CCOc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660674 1032509403 /nfs/dbraw/zinc/50/94/03/1032509403.db2.gz BLIOXSVAQQEIQU-SECBINFHSA-N 0 1 386.356 3.613 20 10 GHCDMN CN(C)c1ccc(CN2CCc3onc(Cn4cccn4)c3C2)c2ccccc21 ZINC001204239416 1032683437 /nfs/dbraw/zinc/68/34/37/1032683437.db2.gz WEXJOYFTKSBYAY-UHFFFAOYSA-N 0 1 387.487 3.697 20 10 GHCDMN CN(C)c1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 ZINC001204240542 1032685200 /nfs/dbraw/zinc/68/52/00/1032685200.db2.gz XKKUGRVIFANKGX-UHFFFAOYSA-N 0 1 387.527 3.793 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(O)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001227937172 1032705852 /nfs/dbraw/zinc/70/58/52/1032705852.db2.gz DJILNLNUCGGLMZ-IBGZPJMESA-N 0 1 389.451 3.982 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(N3CCCC3)cc1)[C@H]2C ZINC001204321898 1032766377 /nfs/dbraw/zinc/76/63/77/1032766377.db2.gz GZOAFAHTSZHEOS-IBGZPJMESA-N 0 1 381.568 3.900 20 10 GHCDMN c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccc(N5CCCC5)cc4)[C@H]3C2)nc1 ZINC001204323247 1032768698 /nfs/dbraw/zinc/76/86/98/1032768698.db2.gz QITWBMLWTMNUOC-ACIOBRDBSA-N 0 1 393.531 3.740 20 10 GHCDMN O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204327294 1032769529 /nfs/dbraw/zinc/76/95/29/1032769529.db2.gz PPEIEWCNPIYSDP-CTNGQTDRSA-N 0 1 379.504 3.616 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001204338217 1032778801 /nfs/dbraw/zinc/77/88/01/1032778801.db2.gz ACFOIOGVYGUMCN-QGZVFWFLSA-N 0 1 392.293 3.954 20 10 GHCDMN CN(Cc1ccccc1)C(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001204479650 1032914690 /nfs/dbraw/zinc/91/46/90/1032914690.db2.gz JSORWWYBXARZLN-UHFFFAOYSA-N 0 1 391.874 3.554 20 10 GHCDMN Cc1cc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000779447667 1020796077 /nfs/dbraw/zinc/79/60/77/1020796077.db2.gz NYOXBHKIUPWNNO-FQEVSTJZSA-N 0 1 389.434 3.871 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@@H]1CCc2cc(F)ccc21 ZINC001228520976 1032968715 /nfs/dbraw/zinc/96/87/15/1032968715.db2.gz GJIPRAJXSWTWGB-LJQANCHMSA-N 0 1 396.370 3.945 20 10 GHCDMN CN1Cc2ccccc2CC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001140340384 1021448733 /nfs/dbraw/zinc/44/87/33/1021448733.db2.gz VLFMOPKVLDMJIF-UHFFFAOYSA-N 0 1 384.907 3.843 20 10 GHCDMN CN1CCN(Cc2cccc(Nc3ccccc3C(=O)c3ccncc3)c2)CC1 ZINC001204580881 1032983802 /nfs/dbraw/zinc/98/38/02/1032983802.db2.gz UUZDHJRGAWWCHY-UHFFFAOYSA-N 0 1 386.499 3.804 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001140467423 1021762530 /nfs/dbraw/zinc/76/25/30/1021762530.db2.gz PNHPNUDCSFWNJS-LJQANCHMSA-N 0 1 388.895 3.781 20 10 GHCDMN Cc1c(O)ccc(C[N@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140749658 1022426948 /nfs/dbraw/zinc/42/69/48/1022426948.db2.gz IIWQNNCEGBBWFD-IBGZPJMESA-N 0 1 398.503 3.858 20 10 GHCDMN Cc1c(O)ccc(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140749658 1022426973 /nfs/dbraw/zinc/42/69/73/1022426973.db2.gz IIWQNNCEGBBWFD-IBGZPJMESA-N 0 1 398.503 3.858 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2cnn(CC)c21 ZINC001140852950 1022702105 /nfs/dbraw/zinc/70/21/05/1022702105.db2.gz GMOYJKHHRSPFQO-LJQANCHMSA-N 0 1 386.540 3.591 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853110 1022703469 /nfs/dbraw/zinc/70/34/69/1022703469.db2.gz MGEHWLHVNCZOKR-RTBURBONSA-N 0 1 389.540 3.822 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC001140853119 1022703808 /nfs/dbraw/zinc/70/38/08/1022703808.db2.gz MSLLXYGVQZEOLJ-INIZCTEOSA-N 0 1 377.529 3.680 20 10 GHCDMN COc1cc(CN2CCNC(=O)C[C@H]2c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000754723335 1022859407 /nfs/dbraw/zinc/85/94/07/1022859407.db2.gz PORXPODMPSTRQR-FQEVSTJZSA-N 0 1 382.504 3.762 20 10 GHCDMN CN(Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cc(Br)ccc1Cl ZINC000754850684 1022933170 /nfs/dbraw/zinc/93/31/70/1022933170.db2.gz BJJCVEGRDWPJBV-INIZCTEOSA-N 0 1 398.684 3.866 20 10 GHCDMN COc1cc([O-])c(C[N@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141030800 1023296041 /nfs/dbraw/zinc/29/60/41/1023296041.db2.gz LSSGGICONCFNON-UHFFFAOYSA-N 0 1 394.512 3.631 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141030800 1023296049 /nfs/dbraw/zinc/29/60/49/1023296049.db2.gz LSSGGICONCFNON-UHFFFAOYSA-N 0 1 394.512 3.631 20 10 GHCDMN c1cc2c(ccnc2N2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)o1 ZINC001141075896 1023438226 /nfs/dbraw/zinc/43/82/26/1023438226.db2.gz FQODUZPBFDTRLV-UHFFFAOYSA-N 0 1 388.515 3.849 20 10 GHCDMN c1c(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141076107 1023439254 /nfs/dbraw/zinc/43/92/54/1023439254.db2.gz AUTUKXKTPPECGJ-WMTXJRDZSA-N 0 1 382.548 3.544 20 10 GHCDMN Cc1ccc2cc([C@@H](C)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)oc2c1 ZINC000756038552 1023489402 /nfs/dbraw/zinc/48/94/02/1023489402.db2.gz WWXKXHDPUHSDSK-QGZVFWFLSA-N 0 1 398.528 3.827 20 10 GHCDMN COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000756378848 1023619318 /nfs/dbraw/zinc/61/93/18/1023619318.db2.gz IJFRAVZCETZJIR-GFCCVEGCSA-N 0 1 393.281 3.590 20 10 GHCDMN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756538526 1023704992 /nfs/dbraw/zinc/70/49/92/1023704992.db2.gz CFLZOEUTGKAZKE-RISCZKNCSA-N 0 1 378.266 3.818 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756659275 1023758840 /nfs/dbraw/zinc/75/88/40/1023758840.db2.gz CGQMILSPWYNZTG-BLLLJJGKSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756673907 1023769440 /nfs/dbraw/zinc/76/94/40/1023769440.db2.gz BDGVARRBSVUFOR-CXAGYDPISA-N 0 1 389.293 3.606 20 10 GHCDMN C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756714540 1023785626 /nfs/dbraw/zinc/78/56/26/1023785626.db2.gz ZTATUPADYMRPEJ-RMLUDKJBSA-N 0 1 390.199 3.956 20 10 GHCDMN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756767233 1023807178 /nfs/dbraw/zinc/80/71/78/1023807178.db2.gz DXTBGJUKODRKSZ-NEPJUHHUSA-N 0 1 387.318 3.966 20 10 GHCDMN COc1cc(NCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc(OC)c1 ZINC000756769411 1023808316 /nfs/dbraw/zinc/80/83/16/1023808316.db2.gz QIEZEJAATJRTOM-LBPRGKRZSA-N 0 1 395.297 3.935 20 10 GHCDMN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756770887 1023808833 /nfs/dbraw/zinc/80/88/33/1023808833.db2.gz YHDIZWCRIBELTB-NWDGAFQWSA-N 0 1 387.318 3.966 20 10 GHCDMN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756770885 1023809001 /nfs/dbraw/zinc/80/90/01/1023809001.db2.gz YHDIZWCRIBELTB-NEPJUHHUSA-N 0 1 387.318 3.966 20 10 GHCDMN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000756849747 1023834213 /nfs/dbraw/zinc/83/42/13/1023834213.db2.gz INQNHXLUUYRDSC-IXDOHACOSA-N 0 1 398.503 3.961 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc1 ZINC001138112393 1024137975 /nfs/dbraw/zinc/13/79/75/1024137975.db2.gz HHLQJZBUNFELKY-UHFFFAOYSA-N 0 1 377.488 3.582 20 10 GHCDMN CC(C)([C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1)N1CCCC1 ZINC001138144963 1024226643 /nfs/dbraw/zinc/22/66/43/1024226643.db2.gz LEEOVIRUSQIZHW-LJQANCHMSA-N 0 1 390.430 3.722 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000830966529 1024278757 /nfs/dbraw/zinc/27/87/57/1024278757.db2.gz AHMPSLVAVQUCLX-CEWLAPEOSA-N 0 1 399.510 3.826 20 10 GHCDMN Cc1c(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c2ccccc2n1C ZINC001138254317 1024475866 /nfs/dbraw/zinc/47/58/66/1024475866.db2.gz WVEPDICRLWITPZ-KMDXXIMOSA-N 0 1 391.515 3.830 20 10 GHCDMN Cc1c(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138257953 1024485308 /nfs/dbraw/zinc/48/53/08/1024485308.db2.gz FMDWIJNHBGGNNB-MSOLQXFVSA-N 0 1 375.488 3.924 20 10 GHCDMN CCN(CC)C(=O)NC1CCN(Cc2ccc(N(CC)CC)cc2OC)CC1 ZINC001138391063 1024768141 /nfs/dbraw/zinc/76/81/41/1024768141.db2.gz 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Cc1cc(O)c(CN2CCC(NC(=O)C3CCCC3)CC2)cc1Br ZINC001237679133 1042320614 /nfs/dbraw/zinc/32/06/14/1042320614.db2.gz NEVWDAFSCINMAB-UHFFFAOYSA-N 0 1 395.341 3.734 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001237780953 1042365492 /nfs/dbraw/zinc/36/54/92/1042365492.db2.gz ZLCNTNFBEUNVFO-OAHLLOKOSA-N 0 1 380.229 3.729 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2O)CCCC1=O ZINC001237784586 1042368287 /nfs/dbraw/zinc/36/82/87/1042368287.db2.gz XKMHKSNYBMVEMI-SECBINFHSA-N 0 1 380.204 3.975 20 10 GHCDMN C[N@@H+](Cc1cncnc1)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237785879 1042369255 /nfs/dbraw/zinc/36/92/55/1042369255.db2.gz JUKQFKUDVQQVGF-UHFFFAOYSA-N 0 1 376.176 3.596 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)Cc2nn(CC3CC3)cc21 ZINC001237801349 1042377689 /nfs/dbraw/zinc/37/76/89/1042377689.db2.gz RCDHQMATLJCDGJ-HNNXBMFYSA-N 0 1 393.890 3.927 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237806303 1042380016 /nfs/dbraw/zinc/38/00/16/1042380016.db2.gz UBUQQVDAQZWUSF-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001237937733 1042428861 /nfs/dbraw/zinc/42/88/61/1042428861.db2.gz QAQSZIYAHNVCLP-UHFFFAOYSA-N 0 1 384.842 3.638 20 10 GHCDMN COC(=O)c1c(CN2CC[C@@H](Cc3nccs3)C2)c2cc(F)ccc2n1C ZINC001462656120 1070446841 /nfs/dbraw/zinc/44/68/41/1070446841.db2.gz VBPPKNVSLJEZLA-ZDUSSCGKSA-N 0 1 387.480 3.625 20 10 GHCDMN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3ccc(F)c(F)c3)cccc21 ZINC001259084091 1044953800 /nfs/dbraw/zinc/95/38/00/1044953800.db2.gz FXGGDLNIVYCLHD-UHFFFAOYSA-N 0 1 399.374 3.541 20 10 GHCDMN O=C(c1ccc(F)cc1)c1ccccc1NS(=O)(=O)CCC(F)(F)F ZINC001259865457 1045324168 /nfs/dbraw/zinc/32/41/68/1045324168.db2.gz CNHUFZOBDPHYCC-UHFFFAOYSA-N 0 1 375.343 3.751 20 10 GHCDMN O=S(=O)(Nc1c(F)cccc1C(F)(F)F)c1cccc2nsnc21 ZINC001260382489 1045484903 /nfs/dbraw/zinc/48/49/03/1045484903.db2.gz RMKCXMBDXVQYEQ-UHFFFAOYSA-N 0 1 377.344 3.650 20 10 GHCDMN Cc1ncsc1CN1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001279442091 1047808676 /nfs/dbraw/zinc/80/86/76/1047808676.db2.gz LFBQOJCSMWOWFH-UHFFFAOYSA-N 0 1 377.941 3.909 20 10 GHCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279664057 1047903792 /nfs/dbraw/zinc/90/37/92/1047903792.db2.gz PRCZGOKJAPNXBH-UHFFFAOYSA-N 0 1 381.307 3.520 20 10 GHCDMN CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676941 1047910441 /nfs/dbraw/zinc/91/04/41/1047910441.db2.gz SBWSEDDMQCGJRA-UHFFFAOYSA-N 0 1 386.323 3.715 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001308607985 1050029540 /nfs/dbraw/zinc/02/95/40/1050029540.db2.gz FXIURLLBEYONLV-CABCVRRESA-N 0 1 388.277 3.610 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001308607985 1050029549 /nfs/dbraw/zinc/02/95/49/1050029549.db2.gz FXIURLLBEYONLV-CABCVRRESA-N 0 1 388.277 3.610 20 10 GHCDMN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)c2ccccc2C(=O)N1 ZINC001308796291 1050098261 /nfs/dbraw/zinc/09/82/61/1050098261.db2.gz FPNBKNNJKXMOBQ-JTQLQIEISA-N 0 1 395.684 3.947 20 10 GHCDMN CN(C)c1cc(F)c(CN(C)C[C@@H](O)c2ccccc2Br)cc1F ZINC001308819541 1050106996 /nfs/dbraw/zinc/10/69/96/1050106996.db2.gz LJBRZTQXFACALT-GOSISDBHSA-N 0 1 399.279 3.959 20 10 GHCDMN COCCN(Cc1ccc(F)c(Cl)c1)Cc1ccc(OC)c(OC)c1O ZINC001308821974 1050107623 /nfs/dbraw/zinc/10/76/23/1050107623.db2.gz XGLVWIAHYBSNHS-UHFFFAOYSA-N 0 1 383.847 3.851 20 10 GHCDMN COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2c(O)ccc(Cl)c2F)cc1OC ZINC000756320024 1051029444 /nfs/dbraw/zinc/02/94/44/1051029444.db2.gz DNUZHCYZOQCKFM-ZDUSSCGKSA-N 0 1 383.803 3.508 20 10 GHCDMN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756382151 1051060045 /nfs/dbraw/zinc/06/00/45/1051060045.db2.gz ZAAZSJKWAFHQKD-ZDUSSCGKSA-N 0 1 376.186 3.763 20 10 GHCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(Cl)c(F)c1 ZINC001320055274 1055626143 /nfs/dbraw/zinc/62/61/43/1055626143.db2.gz SVEJJYPQZNFSIM-CQSZACIVSA-N 0 1 377.891 3.854 20 10 GHCDMN CN(C)c1ccc(/C=C\C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001353916101 1056127639 /nfs/dbraw/zinc/12/76/39/1056127639.db2.gz QVBFXJSUOCOJMZ-QZPVUJMKSA-N 0 1 386.442 3.844 20 10 GHCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(Br)c1O ZINC001445901581 1059650788 /nfs/dbraw/zinc/65/07/88/1059650788.db2.gz NEPBJEUESRYPCW-UHFFFAOYSA-N 0 1 376.250 3.669 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccnc(Cl)c2)C1 ZINC001451413466 1060773596 /nfs/dbraw/zinc/77/35/96/1060773596.db2.gz USBRBBHOQZILER-UHFFFAOYSA-N 0 1 396.922 3.773 20 10 GHCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000847480562 1065404389 /nfs/dbraw/zinc/40/43/89/1065404389.db2.gz OOLINBDPXABWKU-KRWDZBQOSA-N 0 1 392.503 3.896 20 10 GHCDMN COc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3O)CC2)cc1F ZINC000847556913 1065597984 /nfs/dbraw/zinc/59/79/84/1065597984.db2.gz LIPWKNZFMKASON-UHFFFAOYSA-N 0 1 398.356 3.521 20 10 GHCDMN C/C(=C\c1ccncc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847591396 1065700567 /nfs/dbraw/zinc/70/05/67/1065700567.db2.gz VJBIKFUQMRAIRO-FERCGXDMSA-N 0 1 385.895 3.625 20 10 GHCDMN Cc1cc(CNC(=O)NCc2n[nH]c(C(C)C)n2)c(C)n1-c1cccc(C)c1 ZINC001470299489 1068672279 /nfs/dbraw/zinc/67/22/79/1068672279.db2.gz RXERBGVAQXUYLL-UHFFFAOYSA-N 0 1 380.496 3.643 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001471189789 1072959487 /nfs/dbraw/zinc/95/94/87/1072959487.db2.gz BDTRSESISPJJOQ-JOCHJYFZSA-N 0 1 392.547 3.528 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](c4ccccc4)C3)cc2)CC1 ZINC001471189790 1072959515 /nfs/dbraw/zinc/95/95/15/1072959515.db2.gz BDTRSESISPJJOQ-QFIPXVFZSA-N 0 1 392.547 3.528 20 10 GHCDMN COc1ccc(N2CC[C@H](NCc3ncc(Br)cc3Cl)C2)cc1 ZINC001474205525 1074292813 /nfs/dbraw/zinc/29/28/13/1074292813.db2.gz HBEZTXCUBZDBBZ-ZDUSSCGKSA-N 0 1 396.716 3.875 20 10 GHCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)cn1 ZINC001474360239 1074363153 /nfs/dbraw/zinc/36/31/53/1074363153.db2.gz MDPSMVAYEXNXAW-LLVKDONJSA-N 0 1 384.705 3.606 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736242850 600539542 /nfs/dbraw/zinc/53/95/42/600539542.db2.gz ZTLIKVNTMCWCNI-HNNXBMFYSA-N 0 1 398.503 3.618 20 10 GHCDMN Cc1cc(C(=O)C[N@H+](C(C)C)C2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859462 601596395 /nfs/dbraw/zinc/59/63/95/601596395.db2.gz QJIIXMCBKQVJIL-UHFFFAOYSA-N 0 1 398.503 3.864 20 10 GHCDMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000824607545 608284305 /nfs/dbraw/zinc/28/43/05/608284305.db2.gz ZQUOZAYZLBOUCU-AWEZNQCLSA-N 0 1 398.461 3.986 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000683471438 837385906 /nfs/dbraw/zinc/38/59/06/837385906.db2.gz JPZNSWLWWGSDLN-LJQANCHMSA-N 0 1 387.527 3.864 20 10 GHCDMN C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000728197773 835097350 /nfs/dbraw/zinc/09/73/50/835097350.db2.gz BRUUIAZXAWAIFF-IBGZPJMESA-N 0 1 391.515 3.663 20 10 GHCDMN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000728197773 835097361 /nfs/dbraw/zinc/09/73/61/835097361.db2.gz BRUUIAZXAWAIFF-IBGZPJMESA-N 0 1 391.515 3.663 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)ccc21 ZINC000378078195 838382163 /nfs/dbraw/zinc/38/21/63/838382163.db2.gz OAZZEGHVIVNCOH-UHFFFAOYSA-N 0 1 380.492 3.647 20 10 GHCDMN Cc1noc(C2CCC(NC(=O)NCc3cc(Cl)cc(Cl)c3O)CC2)n1 ZINC000376761913 838710768 /nfs/dbraw/zinc/71/07/68/838710768.db2.gz XUFCZLVFKDJYQD-UHFFFAOYSA-N 0 1 399.278 3.916 20 10 GHCDMN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756457843 839469586 /nfs/dbraw/zinc/46/95/86/839469586.db2.gz GVYDNEVXSFRBSV-HOCLYGCPSA-N 0 1 394.309 3.862 20 10 GHCDMN CCCSc1nc(Cl)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167426188 839926661 /nfs/dbraw/zinc/92/66/61/839926661.db2.gz APKQUTJESFQCKP-UHFFFAOYSA-N 0 1 391.972 3.996 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000377671205 839937995 /nfs/dbraw/zinc/93/79/95/839937995.db2.gz GFSLIQQNTBHAGB-HNNXBMFYSA-N 0 1 381.270 3.551 20 10 GHCDMN Cc1nc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)cc1Br ZINC001167434558 840186198 /nfs/dbraw/zinc/18/61/98/840186198.db2.gz QKFISAPOEDFQLZ-UHFFFAOYSA-N 0 1 389.341 3.825 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(F)(F)CC1 ZINC000123250557 841703973 /nfs/dbraw/zinc/70/39/73/841703973.db2.gz MITMBNCRGATASD-MRXNPFEDSA-N 0 1 386.870 3.952 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 ZINC000108089955 843492769 /nfs/dbraw/zinc/49/27/69/843492769.db2.gz YGXFAGVSARPFJT-OALUTQOASA-N 0 1 393.531 3.574 20 10 GHCDMN CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000015571979 846521932 /nfs/dbraw/zinc/52/19/32/846521932.db2.gz HWRVULUTMWFXGI-SFHVURJKSA-N 0 1 381.520 3.545 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCOC2CCCC2)C1 ZINC000435755686 850849933 /nfs/dbraw/zinc/84/99/33/850849933.db2.gz LPAYTJLJFKEVFL-UHFFFAOYSA-N 0 1 397.563 3.873 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CCO[C@H](C)C2)C1 ZINC000436055412 851173600 /nfs/dbraw/zinc/17/36/00/851173600.db2.gz WJNUHUSHBNBTJH-RTBURBONSA-N 0 1 397.563 3.729 20 10 GHCDMN COc1ccc(N2CCC(N[C@@H](C)c3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000150917417 852588302 /nfs/dbraw/zinc/58/83/02/852588302.db2.gz VRZBCERAFARCHC-KRWDZBQOSA-N 0 1 377.492 3.596 20 10 GHCDMN CCCC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054446075 855154619 /nfs/dbraw/zinc/15/46/19/855154619.db2.gz ICSOERBKQQYHAW-OAHLLOKOSA-N 0 1 391.533 3.806 20 10 GHCDMN CCCC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054446075 855154635 /nfs/dbraw/zinc/15/46/35/855154635.db2.gz ICSOERBKQQYHAW-OAHLLOKOSA-N 0 1 391.533 3.806 20 10 GHCDMN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000128985358 856290771 /nfs/dbraw/zinc/29/07/71/856290771.db2.gz JBSCBPAWDQMMLD-HRAATJIYSA-N 0 1 399.922 3.633 20 10 GHCDMN Cc1ccc([C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1C ZINC000281161311 862878561 /nfs/dbraw/zinc/87/85/61/862878561.db2.gz PDMVIURYYSIEBR-MLGOLLRUSA-N 0 1 377.282 3.649 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000764461425 859456796 /nfs/dbraw/zinc/45/67/96/859456796.db2.gz HEELNXRXBJGJAN-UGKGYDQZSA-N 0 1 393.531 3.576 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000730192485 860934702 /nfs/dbraw/zinc/93/47/02/860934702.db2.gz BNWHCROTVISDKG-MSOLQXFVSA-N 0 1 375.532 3.800 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000730192488 860934805 /nfs/dbraw/zinc/93/48/05/860934805.db2.gz BNWHCROTVISDKG-ZWKOTPCHSA-N 0 1 375.532 3.800 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(OC(C)C)cc3)cc2F)CC1 ZINC000730194383 860937027 /nfs/dbraw/zinc/93/70/27/860937027.db2.gz PQMDAYAZEGHBPT-UHFFFAOYSA-N 0 1 399.510 3.685 20 10 GHCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000763936248 861017756 /nfs/dbraw/zinc/01/77/56/861017756.db2.gz BJOMXBOVOPEXMY-OKILXGFUSA-N 0 1 388.487 3.524 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(C)c3)cc2F)CC1 ZINC000730383832 861072653 /nfs/dbraw/zinc/07/26/53/861072653.db2.gz RKLHDXDZPWWNKW-UHFFFAOYSA-N 0 1 388.462 3.737 20 10 GHCDMN COc1ccc(O)c(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1 ZINC000172043129 863152796 /nfs/dbraw/zinc/15/27/96/863152796.db2.gz KTRKDBOPZIIWLW-UHFFFAOYSA-N 0 1 390.483 3.963 20 10 GHCDMN CN(C)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000792778552 881689841 /nfs/dbraw/zinc/68/98/41/881689841.db2.gz XQSKGYGXWMBHHE-UHFFFAOYSA-N 0 1 397.485 3.996 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2F)CC1 ZINC000301299268 865270136 /nfs/dbraw/zinc/27/01/36/865270136.db2.gz ZSCOOUMXEXCCNM-UHFFFAOYSA-N 0 1 393.850 3.536 20 10 GHCDMN Cc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1C1CC1 ZINC000063823998 865442314 /nfs/dbraw/zinc/44/23/14/865442314.db2.gz INXMMMGJPZJYBE-BOPFTXTBSA-N 0 1 375.563 3.735 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC000738240484 865517178 /nfs/dbraw/zinc/51/71/78/865517178.db2.gz POYCDLNCEUTEHE-LJQANCHMSA-N 0 1 388.552 3.685 20 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/nfs/dbraw/zinc/26/20/38/893262038.db2.gz LNIAWGXMGFBBTI-QHCPKHFHSA-N 0 1 390.531 3.872 20 10 GHCDMN COC[C@H](C)Oc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000825893190 893295573 /nfs/dbraw/zinc/29/55/73/893295573.db2.gz RQOSMTQBNYIQOE-ZDUSSCGKSA-N 0 1 380.282 3.858 20 10 GHCDMN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)cc1O ZINC000876986628 893421684 /nfs/dbraw/zinc/42/16/84/893421684.db2.gz IULOVYQMZRRJGP-CQSZACIVSA-N 0 1 376.884 3.742 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000826017538 893992276 /nfs/dbraw/zinc/99/22/76/893992276.db2.gz SILWZPLRMJRRQC-UHFFFAOYSA-N 0 1 375.188 3.901 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000816565507 894947635 /nfs/dbraw/zinc/94/76/35/894947635.db2.gz QWSDUAPYKZJEDM-INIZCTEOSA-N 0 1 389.814 3.808 20 10 GHCDMN Cc1ccc(N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1 ZINC000565369725 895569778 /nfs/dbraw/zinc/56/97/78/895569778.db2.gz NVNUVQQUJNMNDY-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000128421567 895709370 /nfs/dbraw/zinc/70/93/70/895709370.db2.gz MMEKLOIUERBVPI-GOSISDBHSA-N 0 1 392.455 3.909 20 10 GHCDMN COC(OC)c1ccc(F)c(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000818180139 896063625 /nfs/dbraw/zinc/06/36/25/896063625.db2.gz TVIIMCZXRKWJPL-UHFFFAOYSA-N 0 1 390.524 3.960 20 10 GHCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3[nH]cnc3cc2F)cc1 ZINC000819840796 897015244 /nfs/dbraw/zinc/01/52/44/897015244.db2.gz YVNMJLUNJKMFHB-KRWDZBQOSA-N 0 1 396.466 3.589 20 10 GHCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636231 899729733 /nfs/dbraw/zinc/72/97/33/899729733.db2.gz MRACAGXQKVWGFM-TVQRCGJNSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Cl)cccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000825310725 900113372 /nfs/dbraw/zinc/11/33/72/900113372.db2.gz BTFVWVNHVGOJQT-UHFFFAOYSA-N 0 1 398.688 3.652 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886301186 900925971 /nfs/dbraw/zinc/92/59/71/900925971.db2.gz YWPLDABFKMYEBY-INIZCTEOSA-N 0 1 384.314 3.610 20 10 GHCDMN Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307809 901698749 /nfs/dbraw/zinc/69/87/49/901698749.db2.gz CJUKAPVTKUWFIV-ZDUSSCGKSA-N 0 1 381.245 3.651 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1c1ccccc1 ZINC000846069834 902643911 /nfs/dbraw/zinc/64/39/11/902643911.db2.gz PBJYNVAQOROBFV-JKSUJKDBSA-N 0 1 390.277 3.543 20 10 GHCDMN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1C ZINC000775037483 914671735 /nfs/dbraw/zinc/67/17/35/914671735.db2.gz NADPAGIYDRMGPX-UHFFFAOYSA-N 0 1 387.423 3.716 20 10 GHCDMN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152594732 904284026 /nfs/dbraw/zinc/28/40/26/904284026.db2.gz XTUSOKSSXYEVCT-GOSISDBHSA-N 0 1 394.494 3.758 20 10 GHCDMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136100 904465875 /nfs/dbraw/zinc/46/58/75/904465875.db2.gz FRAUTRGONZXXJN-ZIAGYGMSSA-N 0 1 377.920 3.830 20 10 GHCDMN CC(C)(C)c1nc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC001202769285 905429030 /nfs/dbraw/zinc/42/90/30/905429030.db2.gz VLBREFGVSDYTPY-UHFFFAOYSA-N 0 1 375.520 3.955 20 10 GHCDMN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Br)ccc1[O-] ZINC000185053538 907705391 /nfs/dbraw/zinc/70/53/91/907705391.db2.gz RRAMITWOTFLTBY-AWEZNQCLSA-N 0 1 390.325 3.865 20 10 GHCDMN C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(Br)ccc1[O-] ZINC000185546927 907789147 /nfs/dbraw/zinc/78/91/47/907789147.db2.gz WRRVFDMJIVTXEX-ZDUSSCGKSA-N 0 1 391.309 3.750 20 10 GHCDMN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185825583 907840962 /nfs/dbraw/zinc/84/09/62/907840962.db2.gz GVVCTEOUYKUALK-SJCJKPOMSA-N 0 1 380.282 3.938 20 10 GHCDMN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185826871 907841139 /nfs/dbraw/zinc/84/11/39/907841139.db2.gz XIUWEJOFAJQMDP-PXAZEXFGSA-N 0 1 380.282 3.938 20 10 GHCDMN COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1OCC(=O)NC1CC1 ZINC000187841788 908145962 /nfs/dbraw/zinc/14/59/62/908145962.db2.gz TYDTVNSPIMQXCW-LLVKDONJSA-N 0 1 392.402 3.510 20 10 GHCDMN COC(=O)Nc1ccc(CC[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001177897241 908788816 /nfs/dbraw/zinc/78/88/16/908788816.db2.gz HEGULNGAXPDXEW-UHFFFAOYSA-N 0 1 379.254 3.665 20 10 GHCDMN COc1ccc(OC)c(CCC[NH2+]Cc2c([O-])cccc2Br)c1 ZINC001178412375 909047793 /nfs/dbraw/zinc/04/77/93/909047793.db2.gz OFUOYTGZJXGXFT-UHFFFAOYSA-N 0 1 380.282 3.894 20 10 GHCDMN CCCN1CCc2c(N)sc(NC(=O)/C=C/c3ccc(N(C)C)cc3)c2C1 ZINC001180122998 909971245 /nfs/dbraw/zinc/97/12/45/909971245.db2.gz JATVKMQEDXXDQU-JXMROGBWSA-N 0 1 384.549 3.816 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H]1C ZINC001180935550 910438118 /nfs/dbraw/zinc/43/81/18/910438118.db2.gz OWRHOSUGOLEJEL-GOEBONIOSA-N 0 1 395.341 3.823 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2([C@@H]3CCOC3)CC2)C1 ZINC000774109300 911395762 /nfs/dbraw/zinc/39/57/62/911395762.db2.gz DGKLQOJRFVSSIA-QGZVFWFLSA-N 0 1 382.504 3.520 20 10 GHCDMN O=C(c1ccccc1)N1CC[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283187682 911403708 /nfs/dbraw/zinc/40/37/08/911403708.db2.gz QKMPJDZIODQKQZ-SIKLNZKXSA-N 0 1 394.515 3.536 20 10 GHCDMN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)ccc3[O-])C2)n(C)n1 ZINC000774453705 911759311 /nfs/dbraw/zinc/75/93/11/911759311.db2.gz DXMQTKLYUAACLF-ZFWWWQNUSA-N 0 1 393.329 3.516 20 10 GHCDMN CCOCc1cc(CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000284182756 911783381 /nfs/dbraw/zinc/78/33/81/911783381.db2.gz XSQWDMVDFKXEHM-MRXNPFEDSA-N 0 1 391.533 3.876 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000801972512 921711137 /nfs/dbraw/zinc/71/11/37/921711137.db2.gz SQBMBZDASKSZJT-UHFFFAOYSA-N 0 1 396.878 3.994 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000801972512 921711147 /nfs/dbraw/zinc/71/11/47/921711147.db2.gz SQBMBZDASKSZJT-UHFFFAOYSA-N 0 1 396.878 3.994 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(C(=O)NC4CCCC4)cc3)cc2)CC1 ZINC000775180016 916067580 /nfs/dbraw/zinc/06/75/80/916067580.db2.gz IQNSUQRDAMAKTH-UHFFFAOYSA-N 0 1 392.547 3.723 20 10 GHCDMN CCN1CCN(c2ccc(CNCc3ncc(CSC)s3)cc2F)CC1 ZINC000293637415 916305750 /nfs/dbraw/zinc/30/57/50/916305750.db2.gz RMBZWTSOXGODSN-UHFFFAOYSA-N 0 1 394.585 3.577 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)c2nc(Br)ccc2O)cc1 ZINC001191741565 918191498 /nfs/dbraw/zinc/19/14/98/918191498.db2.gz HMJNSGQDFABUBO-UHFFFAOYSA-N 0 1 398.260 3.979 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775488859 918262575 /nfs/dbraw/zinc/26/25/75/918262575.db2.gz VQPNCDWFPGILGD-RHSMWYFYSA-N 0 1 380.282 3.635 20 10 GHCDMN CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cc(Br)ccc1[O-] ZINC000775512104 918528486 /nfs/dbraw/zinc/52/84/86/918528486.db2.gz MHSCWPDOYIVVPG-MRXNPFEDSA-N 0 1 383.330 3.987 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3sccc3C3CC3)CC2)cc1 ZINC000116020383 919490993 /nfs/dbraw/zinc/49/09/93/919490993.db2.gz PPIIONKMCXKLHO-UHFFFAOYSA-N 0 1 399.560 3.576 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2Cl)C1 ZINC000800572605 920283968 /nfs/dbraw/zinc/28/39/68/920283968.db2.gz ZQYOOPNHTSKIMS-YWZLYKJASA-N 0 1 375.944 3.819 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c(C)c(C)c1O ZINC000800839258 920515008 /nfs/dbraw/zinc/51/50/08/920515008.db2.gz AGZQBMBJNIASMF-UHFFFAOYSA-N 0 1 379.865 3.901 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000800992156 920674278 /nfs/dbraw/zinc/67/42/78/920674278.db2.gz GJTIDCOQLCIWTP-MJGOQNOKSA-N 0 1 390.483 3.876 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000800993796 920674477 /nfs/dbraw/zinc/67/44/77/920674477.db2.gz NLFWUBIGQNSXHN-APWZRJJASA-N 0 1 388.895 3.766 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000802656476 922313683 /nfs/dbraw/zinc/31/36/83/922313683.db2.gz OXMGVQGUCWHLGI-FQEVSTJZSA-N 0 1 390.321 3.989 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]cc1C(F)(F)F ZINC001137349060 924908743 /nfs/dbraw/zinc/90/87/43/924908743.db2.gz CVGBFSCQSZIVNG-UHFFFAOYSA-N 0 1 392.175 3.559 20 10 GHCDMN C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1nnc2n1CCCCC2 ZINC000371863725 924922396 /nfs/dbraw/zinc/92/23/96/924922396.db2.gz IPAIBKRXIRQQMG-VXGBXAGGSA-N 0 1 379.302 3.884 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)CCC2CCCCC2)c1 ZINC000725785945 926436935 /nfs/dbraw/zinc/43/69/35/926436935.db2.gz LNKDEHFOPZZPQA-UHFFFAOYSA-N 0 1 388.552 3.829 20 10 GHCDMN Cc1nc(Cl)ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752625750 928934873 /nfs/dbraw/zinc/93/48/73/928934873.db2.gz JQJOHLZWMLFQDE-HNNXBMFYSA-N 0 1 394.302 3.797 20 10 GHCDMN O=S1(=O)CCN(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)CC1 ZINC000753853636 929562699 /nfs/dbraw/zinc/56/26/99/929562699.db2.gz JMOXQKZGGCLOOW-UHFFFAOYSA-N 0 1 399.343 3.518 20 10 GHCDMN CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000782015119 931061711 /nfs/dbraw/zinc/06/17/11/931061711.db2.gz RRECNELKXXVCAB-KFKAGJAMSA-N 0 1 394.943 3.722 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828448494 935634187 /nfs/dbraw/zinc/63/41/87/935634187.db2.gz GDLZQOFJGSTGOK-ZWKOTPCHSA-N 0 1 385.483 3.559 20 10 GHCDMN CCc1nc(SCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)n[nH]1 ZINC000828946880 935744288 /nfs/dbraw/zinc/74/42/88/935744288.db2.gz KEZCCAWYNXCXGP-UHFFFAOYSA-N 0 1 375.885 3.798 20 10 GHCDMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)n1 ZINC000828946880 935744290 /nfs/dbraw/zinc/74/42/90/935744290.db2.gz KEZCCAWYNXCXGP-UHFFFAOYSA-N 0 1 375.885 3.798 20 10 GHCDMN Cc1cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)ccc1N1CCCCC1 ZINC000829993230 935888174 /nfs/dbraw/zinc/88/81/74/935888174.db2.gz FVLLAGFDZWYSLJ-HXUWFJFHSA-N 0 1 378.582 3.775 20 10 GHCDMN CN(C)c1cc(F)c(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1F ZINC001598306442 991264999 /nfs/dbraw/zinc/26/49/99/991264999.db2.gz VZDUZDYSQHPNFH-QGZVFWFLSA-N 0 1 388.336 3.706 20 10 GHCDMN CN(C)c1cc(F)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1F ZINC001598306442 991265003 /nfs/dbraw/zinc/26/50/03/991265003.db2.gz VZDUZDYSQHPNFH-QGZVFWFLSA-N 0 1 388.336 3.706 20 10 GHCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c(O)cc1C ZINC001599405995 997302963 /nfs/dbraw/zinc/30/29/63/997302963.db2.gz PEGWTLZBLROSMZ-UHFFFAOYSA-N 0 1 394.265 3.559 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])Cc2cccc(F)c2F)c1O ZINC001599421038 997594265 /nfs/dbraw/zinc/59/42/65/997594265.db2.gz YHRHGVVHWFYVGY-UHFFFAOYSA-N 0 1 385.794 3.809 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c(Cl)ccnc43)cc2)C1 ZINC000924729912 1017008863 /nfs/dbraw/zinc/00/88/63/1017008863.db2.gz PNIYTLJIAGZPHJ-OXQOHEQNSA-N 0 1 398.938 3.604 20 10 GHCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001221080406 1032271186 /nfs/dbraw/zinc/27/11/86/1032271186.db2.gz HCMMNZWRIJVVHS-JOCHJYFZSA-N 0 1 398.526 3.870 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCOc3ccccc32)c1O ZINC001227493430 1032439734 /nfs/dbraw/zinc/43/97/34/1032439734.db2.gz GPINWFZGZLNULR-ZDUSSCGKSA-N 0 1 392.429 3.710 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccncc2)Cc2ccc(O)cc2O)C1 ZINC001204277850 1032719205 /nfs/dbraw/zinc/71/92/05/1032719205.db2.gz MHRKYWJBJFYCPE-SFHVURJKSA-N 0 1 399.491 3.504 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000779192299 1020492234 /nfs/dbraw/zinc/49/22/34/1020492234.db2.gz JPUCGABUHGWPSA-LJQANCHMSA-N 0 1 387.277 3.559 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3)cc2F)CC1 ZINC000303353196 1021136686 /nfs/dbraw/zinc/13/66/86/1021136686.db2.gz YUKIGCWARGGTGQ-SFHVURJKSA-N 0 1 383.511 3.778 20 10 GHCDMN CCOc1cccc(CN[C@@H]2COc3cc(F)c(Br)cc32)c1O ZINC000800305372 1021302575 /nfs/dbraw/zinc/30/25/75/1021302575.db2.gz AEYLGNMPMHUVIC-CQSZACIVSA-N 0 1 382.229 3.916 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140339693 1021446588 /nfs/dbraw/zinc/44/65/88/1021446588.db2.gz LMAVNQVVXNSLQQ-UHFFFAOYSA-N 0 1 399.922 3.959 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1[O-] ZINC000802659110 1021517773 /nfs/dbraw/zinc/51/77/73/1021517773.db2.gz FXNIZSOZCLUICM-UHFFFAOYSA-N 0 1 399.838 3.699 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465297 1021760500 /nfs/dbraw/zinc/76/05/00/1021760500.db2.gz NIKDHWHXPOXLKK-BJLQDIEVSA-N 0 1 385.895 3.587 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465297 1021760522 /nfs/dbraw/zinc/76/05/22/1021760522.db2.gz NIKDHWHXPOXLKK-BJLQDIEVSA-N 0 1 385.895 3.587 20 10 GHCDMN CN(C)c1ccc(/C=C/CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000835026133 1021784444 /nfs/dbraw/zinc/78/44/44/1021784444.db2.gz QFUBLFUPTGNNDK-GQCTYLIASA-N 0 1 381.495 3.753 20 10 GHCDMN Cc1ccc([C@H](NC/C=C/c2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000835051539 1021816352 /nfs/dbraw/zinc/81/63/52/1021816352.db2.gz JNORWHCNHGIXJD-IKLPIYGKSA-N 0 1 386.561 3.838 20 10 GHCDMN Cc1nc2ccc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)cc2s1 ZINC000754834101 1022921227 /nfs/dbraw/zinc/92/12/27/1022921227.db2.gz SBLRQMYQKLRCLC-MHWRWJLKSA-N 0 1 389.571 3.900 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(C)cc3Cl)cc2F)CC1 ZINC000755350911 1023209637 /nfs/dbraw/zinc/20/96/37/1023209637.db2.gz PATWQUCEULGLAL-UHFFFAOYSA-N 0 1 389.902 3.859 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2c(O)cc(OC)cc2OC)[C@H](c2ccccc2)C1 ZINC001141030669 1023295501 /nfs/dbraw/zinc/29/55/01/1023295501.db2.gz GBSMTUYUJIBAQG-APWZRJJASA-N 0 1 385.460 3.536 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2c1cnn2CC ZINC001141074762 1023434203 /nfs/dbraw/zinc/43/42/03/1023434203.db2.gz AJOYBQATPHMBTR-OAQYLSRUSA-N 0 1 394.563 3.738 20 10 GHCDMN COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756538653 1023705358 /nfs/dbraw/zinc/70/53/58/1023705358.db2.gz DOLFDOOGERIZHX-RISCZKNCSA-N 0 1 378.266 3.818 20 10 GHCDMN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756554970 1023712017 /nfs/dbraw/zinc/71/20/17/1023712017.db2.gz PBHCWIHTQYADHO-ZDUSSCGKSA-N 0 1 385.346 3.695 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])cc2F)CC1 ZINC000756554670 1023712480 /nfs/dbraw/zinc/71/24/80/1023712480.db2.gz PDLYKRHOPNXSFM-CQSZACIVSA-N 0 1 393.453 3.802 20 10 GHCDMN C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756590717 1023725343 /nfs/dbraw/zinc/72/53/43/1023725343.db2.gz PKMBTFFDXMQDBI-RTBURBONSA-N 0 1 390.531 3.802 20 10 GHCDMN Cc1ccc([C@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)c(O)c1 ZINC000756642329 1023749731 /nfs/dbraw/zinc/74/97/31/1023749731.db2.gz MSNUJAZIHTZCLS-HNNXBMFYSA-N 0 1 381.501 3.938 20 10 GHCDMN COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)cc(OC)c1 ZINC000756648441 1023753041 /nfs/dbraw/zinc/75/30/41/1023753041.db2.gz WJNDLCSIMXOMBB-RHSMWYFYSA-N 0 1 390.911 3.988 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1[O-] ZINC000756657625 1023759402 /nfs/dbraw/zinc/75/94/02/1023759402.db2.gz DPMYQBMIJQOJQA-WFASDCNBSA-N 0 1 381.314 3.596 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cc(Br)ccc1[O-] ZINC000756704358 1023781486 /nfs/dbraw/zinc/78/14/86/1023781486.db2.gz LZYXFHGOYGEUCP-CYBMUJFWSA-N 0 1 383.330 3.892 20 10 GHCDMN C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756714539 1023785560 /nfs/dbraw/zinc/78/55/60/1023785560.db2.gz ZTATUPADYMRPEJ-CLAHSXSESA-N 0 1 390.199 3.956 20 10 GHCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000830529628 1023969557 /nfs/dbraw/zinc/96/95/57/1023969557.db2.gz NAVKIYZEROFWNJ-MRXNPFEDSA-N 0 1 381.314 3.568 20 10 GHCDMN O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000830529628 1023969565 /nfs/dbraw/zinc/96/95/65/1023969565.db2.gz NAVKIYZEROFWNJ-MRXNPFEDSA-N 0 1 381.314 3.568 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C)C[C@@H]3CC(C)C)c2C)cc1 ZINC001156675243 1033176377 /nfs/dbraw/zinc/17/63/77/1033176377.db2.gz DZIVMHFKDRIWRA-FQEVSTJZSA-N 0 1 383.536 3.905 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001138126899 1024172770 /nfs/dbraw/zinc/17/27/70/1024172770.db2.gz LVOFLPFCFZDLSL-UNMCSNQZSA-N 0 1 386.467 3.514 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001138127277 1024172834 /nfs/dbraw/zinc/17/28/34/1024172834.db2.gz VMOQTAGHFJSKKW-HSZRJFAPSA-N 0 1 391.446 3.662 20 10 GHCDMN COCCC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001138127458 1024175441 /nfs/dbraw/zinc/17/54/41/1024175441.db2.gz COAXPSRJPZFSSJ-KRWDZBQOSA-N 0 1 396.503 3.769 20 10 GHCDMN Cc1c(CN2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138260209 1024490274 /nfs/dbraw/zinc/49/02/74/1024490274.db2.gz YWRGLYJFMONAAY-OAQYLSRUSA-N 0 1 375.488 3.925 20 10 GHCDMN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373196 1024761321 /nfs/dbraw/zinc/76/13/21/1024761321.db2.gz RLOTVGDWTFNZLC-ZJUUUORDSA-N 0 1 376.678 3.582 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)c(OC)c1 ZINC001138392086 1024769040 /nfs/dbraw/zinc/76/90/40/1024769040.db2.gz PGMWCHAVAIADPN-UHFFFAOYSA-N 0 1 388.487 3.514 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ccnc(OC)c3)C2)c(OC)c1 ZINC001138392390 1024769685 /nfs/dbraw/zinc/76/96/85/1024769685.db2.gz VSONCSQENYHPEA-HXUWFJFHSA-N 0 1 385.508 3.598 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc4nc(C)ccc4c3)CC2)c(OC)c1 ZINC001141485323 1025207069 /nfs/dbraw/zinc/20/70/69/1025207069.db2.gz YEKQOAVNAINOOU-UHFFFAOYSA-N 0 1 377.488 3.883 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC001141497261 1025258210 /nfs/dbraw/zinc/25/82/10/1025258210.db2.gz HYUVITIKXSJSTI-UHFFFAOYSA-N 0 1 379.504 3.607 20 10 GHCDMN NC(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838852780 1025396827 /nfs/dbraw/zinc/39/68/27/1025396827.db2.gz HFYMIVHZGKRPJX-HNNXBMFYSA-N 0 1 394.357 3.527 20 10 GHCDMN CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139124762 1025937472 /nfs/dbraw/zinc/93/74/72/1025937472.db2.gz FFMDGPCVUQADRH-UHFFFAOYSA-N 0 1 395.455 3.762 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001139129340 1025941710 /nfs/dbraw/zinc/94/17/10/1025941710.db2.gz WOSSTRXBWYRNRW-KRWDZBQOSA-N 0 1 378.472 3.686 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4cccnc4c3)CC2)cc1 ZINC001139170450 1025994120 /nfs/dbraw/zinc/99/41/20/1025994120.db2.gz DWUNSXZZXMKRSQ-UHFFFAOYSA-N 0 1 377.488 3.582 20 10 GHCDMN Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)ccc(F)c4[O-])C3)CC2=O)s1 ZINC001139684799 1026538793 /nfs/dbraw/zinc/53/87/93/1026538793.db2.gz QIDBOVJZCGNKIM-IBGZPJMESA-N 0 1 378.444 3.669 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100486 1026879982 /nfs/dbraw/zinc/87/99/82/1026879982.db2.gz QZHRUVQJIQQGND-GOSISDBHSA-N 0 1 397.313 3.740 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100486 1026879988 /nfs/dbraw/zinc/87/99/88/1026879988.db2.gz QZHRUVQJIQQGND-GOSISDBHSA-N 0 1 397.313 3.740 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]12CCN(Cc1c(O)cccc1Br)C2 ZINC001140100486 1026879998 /nfs/dbraw/zinc/87/99/98/1026879998.db2.gz QZHRUVQJIQQGND-GOSISDBHSA-N 0 1 397.313 3.740 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203574086 1027442757 /nfs/dbraw/zinc/44/27/57/1027442757.db2.gz OGDFPXZHAGJTBE-AAEUAGOBSA-N 0 1 376.177 3.926 20 10 GHCDMN COC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001203590223 1027454562 /nfs/dbraw/zinc/45/45/62/1027454562.db2.gz UTYCNLPGEOXIOG-IBGZPJMESA-N 0 1 385.508 3.533 20 10 GHCDMN C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203650522 1027507752 /nfs/dbraw/zinc/50/77/52/1027507752.db2.gz WANZVLYMJAPETN-UHFFFAOYSA-N 0 1 387.318 3.891 20 10 GHCDMN C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203650522 1027507764 /nfs/dbraw/zinc/50/77/64/1027507764.db2.gz WANZVLYMJAPETN-UHFFFAOYSA-N 0 1 387.318 3.891 20 10 GHCDMN COC(=O)c1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001203657413 1027512063 /nfs/dbraw/zinc/51/20/63/1027512063.db2.gz KGWWMBZGSGZSGL-UHFFFAOYSA-N 0 1 375.852 3.876 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001203656693 1027512397 /nfs/dbraw/zinc/51/23/97/1027512397.db2.gz UJFZNWGSUVVVRO-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001203656693 1027512405 /nfs/dbraw/zinc/51/24/05/1027512405.db2.gz UJFZNWGSUVVVRO-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001203658772 1027514333 /nfs/dbraw/zinc/51/43/33/1027514333.db2.gz OHSUIGZNWYWHNF-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001203658772 1027514344 /nfs/dbraw/zinc/51/43/44/1027514344.db2.gz OHSUIGZNWYWHNF-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN Fc1cc(CN[C@H]2CCc3nc(Cl)ccc32)cc(F)c1N1CCOCC1 ZINC000840759067 1027797341 /nfs/dbraw/zinc/79/73/41/1027797341.db2.gz UIWVXGRUJOHUFH-INIZCTEOSA-N 0 1 379.838 3.627 20 10 GHCDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760949 1027804262 /nfs/dbraw/zinc/80/42/62/1027804262.db2.gz LJQSWAHCNAVOAL-CQSZACIVSA-N 0 1 391.418 3.869 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841747726 1028910880 /nfs/dbraw/zinc/91/08/80/1028910880.db2.gz SDSBEYINNYZQFV-QWHCGFSZSA-N 0 1 382.913 3.708 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841756783 1028915784 /nfs/dbraw/zinc/91/57/84/1028915784.db2.gz KCEGWALKFZRTSY-UKRRQHHQSA-N 0 1 384.904 3.722 20 10 GHCDMN COc1cccc(CNC2(c3cc(Br)ccc3OC)CC2)c1O ZINC000842723618 1029533148 /nfs/dbraw/zinc/53/31/48/1029533148.db2.gz WJHKTKRRUOZHLO-UHFFFAOYSA-N 0 1 378.266 3.951 20 10 GHCDMN C[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000842924673 1029689780 /nfs/dbraw/zinc/68/97/80/1029689780.db2.gz RVEOKSXGZDCJSJ-QRWLVFNGSA-N 0 1 376.447 3.576 20 10 GHCDMN CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843428546 1030002029 /nfs/dbraw/zinc/00/20/29/1030002029.db2.gz JWSNDMYYKKVJEQ-UHFFFAOYSA-N 0 1 392.515 3.606 20 10 GHCDMN 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20 10 GHCDMN Cc1cc(O)c(CN2CCC(NC(=O)CC(C)C)CC2)cc1Br ZINC001237678524 1042319813 /nfs/dbraw/zinc/31/98/13/1042319813.db2.gz IYGSPFOKTFEPBV-UHFFFAOYSA-N 0 1 383.330 3.590 20 10 GHCDMN CCCN(Cc1cc(OC)cc(OC)c1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC001237680034 1042321574 /nfs/dbraw/zinc/32/15/74/1042321574.db2.gz IFZAGYGZYLOFDU-INIZCTEOSA-N 0 1 386.492 3.957 20 10 GHCDMN COc1cccnc1O[C@@H]1CCN(Cc2cc(Br)c(C)cc2O)C1 ZINC001237685042 1042325549 /nfs/dbraw/zinc/32/55/49/1042325549.db2.gz NAZMYVACASRGPI-CQSZACIVSA-N 0 1 393.281 3.520 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237783468 1042367564 /nfs/dbraw/zinc/36/75/64/1042367564.db2.gz IMBMWROFIMEYKO-KOLCDFICSA-N 0 1 380.204 3.642 20 10 GHCDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237792097 1042372626 /nfs/dbraw/zinc/37/26/26/1042372626.db2.gz OLTKUITZCLZXIV-LBPRGKRZSA-N 0 1 382.220 3.909 20 10 GHCDMN CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001279074601 1044394218 /nfs/dbraw/zinc/39/42/18/1044394218.db2.gz VNXOYIWBJZWVTR-CQSZACIVSA-N 0 1 380.916 3.868 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cncc4nc[nH]c43)cc2Cl)C1 ZINC001297010101 1045423638 /nfs/dbraw/zinc/42/36/38/1045423638.db2.gz MNXNIIJKZKCOBR-CYBMUJFWSA-N 0 1 383.883 3.778 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC001260917929 1045770841 /nfs/dbraw/zinc/77/08/41/1045770841.db2.gz NJQCIAYMKDGQIJ-UHFFFAOYSA-N 0 1 399.424 3.772 20 10 GHCDMN CC[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(C(F)(F)F)cc1[O-] ZINC001261201932 1045918466 /nfs/dbraw/zinc/91/84/66/1045918466.db2.gz SQPWEDJAZVMLFN-HNNXBMFYSA-N 0 1 394.393 3.877 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000746231209 1046133547 /nfs/dbraw/zinc/13/35/47/1046133547.db2.gz ATBNMVWMSKZBAV-UHFFFAOYSA-N 0 1 396.516 3.743 20 10 GHCDMN CC(C)NC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279442640 1047809275 /nfs/dbraw/zinc/80/92/75/1047809275.db2.gz QXILUZDZFJMFIC-HXUWFJFHSA-N 0 1 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COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308616965 1050033722 /nfs/dbraw/zinc/03/37/22/1050033722.db2.gz ZHMBUHCSNYLXTJ-INIZCTEOSA-N 0 1 376.403 3.591 20 10 GHCDMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308616965 1050033725 /nfs/dbraw/zinc/03/37/25/1050033725.db2.gz ZHMBUHCSNYLXTJ-INIZCTEOSA-N 0 1 376.403 3.591 20 10 GHCDMN CC(=O)Nc1cccc2c1CN(Cc1cc(Br)cc(F)c1O)CC2 ZINC001308896434 1050145350 /nfs/dbraw/zinc/14/53/50/1050145350.db2.gz NJMHNEAOHUAJDF-UHFFFAOYSA-N 0 1 393.256 3.811 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001313164581 1052973761 /nfs/dbraw/zinc/97/37/61/1052973761.db2.gz NFPNBROXXZURKJ-LBPRGKRZSA-N 0 1 395.242 3.532 20 10 GHCDMN O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001319688436 1055398874 /nfs/dbraw/zinc/39/88/74/1055398874.db2.gz ISIAIGQWZQPXMF-UHFFFAOYSA-N 0 1 384.863 3.554 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccccc2OCC)n[nH]1 ZINC001449117520 1060334178 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CCN(Cc1cc(Br)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001473191593 1073844875 /nfs/dbraw/zinc/84/48/75/1073844875.db2.gz NDTRHTSJTFOYHP-UHFFFAOYSA-N 0 1 385.302 3.596 20 10 GHCDMN CCN(CC)C(=O)C1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCCCC1 ZINC001473264245 1073897326 /nfs/dbraw/zinc/89/73/26/1073897326.db2.gz LXXGACKVAGNSQZ-UHFFFAOYSA-N 0 1 380.916 3.909 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1c1ccc(F)cc1F ZINC001474591203 1074474900 /nfs/dbraw/zinc/47/49/00/1074474900.db2.gz ZXXFDEGFICQOHU-QWHCGFSZSA-N 0 1 399.796 3.852 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3cccc(Cl)c3C)CC2)cc1OC ZINC001474744738 1074542707 /nfs/dbraw/zinc/54/27/07/1074542707.db2.gz NLWACBOQHJVGMR-UHFFFAOYSA-N 0 1 376.884 3.693 20 10 GHCDMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000274767887 835196170 /nfs/dbraw/zinc/19/61/70/835196170.db2.gz GRRMLVPRCKDDAI-GOSISDBHSA-N 0 1 398.526 3.898 20 10 GHCDMN Cc1cc(O)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1C(C)C ZINC000023614117 837362235 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O=C(NCCc1ccc(O)c(O)c1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000759959513 842296280 /nfs/dbraw/zinc/29/62/80/842296280.db2.gz TWBGQNZTAYPHQS-UHFFFAOYSA-N 0 1 379.441 3.675 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1[O-] ZINC000273398399 847327294 /nfs/dbraw/zinc/32/72/94/847327294.db2.gz MNQYEYRAAYAFAS-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000273555269 847369379 /nfs/dbraw/zinc/36/93/79/847369379.db2.gz GSQKDTPNQYITBM-HNNXBMFYSA-N 0 1 387.911 3.565 20 10 GHCDMN CCOCc1cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)ccc1OC ZINC000277665488 847472584 /nfs/dbraw/zinc/47/25/84/847472584.db2.gz OMHXVDVYRMXDCP-FQEVSTJZSA-N 0 1 381.476 3.997 20 10 GHCDMN O=C(NCc1ccccc1O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000731759973 861868058 /nfs/dbraw/zinc/86/80/58/861868058.db2.gz URLTXFRTALEBEC-IBGZPJMESA-N 0 1 387.911 3.900 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000436055409 851173515 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CS(=O)(=O)C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000765659497 860388223 /nfs/dbraw/zinc/38/82/23/860388223.db2.gz ZMSNLTFEBUDJSM-OAQYLSRUSA-N 0 1 381.497 3.935 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cccc(C)c3)cc2F)CC1 ZINC000730134656 860873514 /nfs/dbraw/zinc/87/35/14/860873514.db2.gz IZYKHOLSIPQXAC-UHFFFAOYSA-N 0 1 398.526 3.618 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCCC[C@H]3C)cc2F)CC1 ZINC000730194599 860937757 /nfs/dbraw/zinc/93/77/57/860937757.db2.gz NFZNNQRWBIXTEA-IEBWSBKVSA-N 0 1 375.532 3.800 20 10 GHCDMN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000281692742 863325456 /nfs/dbraw/zinc/32/54/56/863325456.db2.gz SFDHICVCUZBBSX-YVEFUNNKSA-N 0 1 376.403 3.761 20 10 GHCDMN CN(C)c1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)c(C(F)(F)F)c1 ZINC000793023212 881898672 /nfs/dbraw/zinc/89/86/72/881898672.db2.gz WNJCQGMKTRAFJH-SFHVURJKSA-N 0 1 383.458 3.795 20 10 GHCDMN CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1cc(Br)ccc1[O-] ZINC000174425094 865791019 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C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cc(Br)ccc1[O-] ZINC000528002562 873871584 /nfs/dbraw/zinc/87/15/84/873871584.db2.gz JRWJUXNOMKXOQW-BZNIZROVSA-N 0 1 375.266 3.632 20 10 GHCDMN CN(C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(=O)OC(C)(C)C ZINC000769331067 873970387 /nfs/dbraw/zinc/97/03/87/873970387.db2.gz GMQQMKLKUSSRNG-GFCCVEGCSA-N 0 1 399.875 3.643 20 10 GHCDMN COCCOCC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000769533552 874139366 /nfs/dbraw/zinc/13/93/66/874139366.db2.gz PHRTZNOFMIDGBA-UHFFFAOYSA-N 0 1 394.309 3.820 20 10 GHCDMN COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC000769533552 874139368 /nfs/dbraw/zinc/13/93/68/874139368.db2.gz PHRTZNOFMIDGBA-UHFFFAOYSA-N 0 1 394.309 3.820 20 10 GHCDMN CC(C)OC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000769815436 874304389 /nfs/dbraw/zinc/30/43/89/874304389.db2.gz QSPNKOUSEAUXFA-INIZCTEOSA-N 0 1 394.309 3.934 20 10 GHCDMN O=[N+]([O-])c1cc(CN2CCSC3(CCOCC3)C2)ccc1N1CCCCC1 ZINC000770666634 874812091 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CN(C)c1cc(F)c(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1F ZINC001202436696 876206711 /nfs/dbraw/zinc/20/67/11/876206711.db2.gz YUZMVJTUOYXQBV-NEWSRXKRSA-N 0 1 378.467 3.514 20 10 GHCDMN C[C@@H](Sc1ncc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000849999647 876585047 /nfs/dbraw/zinc/58/50/47/876585047.db2.gz VWAKHSQHACNWFR-TZMCWYRMSA-N 0 1 381.954 3.668 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cc(Br)ccc3F)cc2)CC1 ZINC000850405219 876885438 /nfs/dbraw/zinc/88/54/38/876885438.db2.gz KABJAIVSLNIJMF-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(Br)cc1[O-] ZINC000858452269 883107753 /nfs/dbraw/zinc/10/77/53/883107753.db2.gz IQSLPZNZKYABKO-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN Cc1cccc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1O ZINC000179758922 877979592 /nfs/dbraw/zinc/97/95/92/877979592.db2.gz KGWXUUMHWFSQEB-QGZVFWFLSA-N 0 1 378.476 3.629 20 10 GHCDMN C[NH+](C)C1CCN(c2ccc(NCc3c([O-])ccc(Cl)c3F)nc2)CC1 ZINC000790240837 879541571 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GHCDMN COC(=O)Nc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805819380 884132324 /nfs/dbraw/zinc/13/23/24/884132324.db2.gz XSWHINKTQCVWRH-UHFFFAOYSA-N 0 1 398.246 3.877 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC001275241428 912794855 /nfs/dbraw/zinc/79/48/55/912794855.db2.gz BOCCTJFXSDXZBA-HZPDHXFCSA-N 0 1 381.314 3.520 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1[O-] ZINC001275241428 912794871 /nfs/dbraw/zinc/79/48/71/912794871.db2.gz BOCCTJFXSDXZBA-HZPDHXFCSA-N 0 1 381.314 3.520 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000859945823 884195298 /nfs/dbraw/zinc/19/52/98/884195298.db2.gz TUAUDZCOZMDIRF-UHFFFAOYSA-N 0 1 390.487 3.578 20 10 GHCDMN CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242009 912814198 /nfs/dbraw/zinc/81/41/98/912814198.db2.gz PKBRBBNAGKGFFU-XJKSGUPXSA-N 0 1 395.341 3.672 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248897 912831980 /nfs/dbraw/zinc/83/19/80/912831980.db2.gz URUCJQZIHWNZIS-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275248897 912831989 /nfs/dbraw/zinc/83/19/89/912831989.db2.gz URUCJQZIHWNZIS-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275248897 912832006 /nfs/dbraw/zinc/83/20/06/912832006.db2.gz URUCJQZIHWNZIS-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3cc(F)c(F)cc3[O-])C1)C2 ZINC001142527154 884539129 /nfs/dbraw/zinc/53/91/29/884539129.db2.gz MHNSPBOVVGHADL-OPAMFIHVSA-N 0 1 387.426 3.766 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527468 884543139 /nfs/dbraw/zinc/54/31/39/884543139.db2.gz VWKHZDNZRAPTBY-AZUAARDMSA-N 0 1 375.415 3.982 20 10 GHCDMN Cn1c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 ZINC000806328526 884594498 /nfs/dbraw/zinc/59/44/98/884594498.db2.gz YHMIXONQSWUWHX-UHFFFAOYSA-N 0 1 379.247 3.585 20 10 GHCDMN CCOC(=O)C1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000806546146 884773369 /nfs/dbraw/zinc/77/33/69/884773369.db2.gz JPLOMHPEIMRKJB-UHFFFAOYSA-N 0 1 389.279 3.620 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc(Br)c1 ZINC000807836088 885800862 /nfs/dbraw/zinc/80/08/62/885800862.db2.gz OXKDOAXSMPPARZ-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN Cc1nn(C)c2nc(C)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc12 ZINC000807837432 885802530 /nfs/dbraw/zinc/80/25/30/885802530.db2.gz PTULMZWWVGGVRG-UHFFFAOYSA-N 0 1 379.247 3.528 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(C(=O)NC2CC2)c1 ZINC000807837198 885802695 /nfs/dbraw/zinc/80/26/95/885802695.db2.gz GKDRAZXEMRTAQU-UHFFFAOYSA-N 0 1 379.243 3.521 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000807839776 885803919 /nfs/dbraw/zinc/80/39/19/885803919.db2.gz LMBDMBYKFGJGFY-OAHLLOKOSA-N 0 1 383.206 3.648 20 10 GHCDMN CCc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cnn1-c1ccccn1 ZINC000807838721 885804163 /nfs/dbraw/zinc/80/41/63/885804163.db2.gz PVGOTPISVPEKKA-UHFFFAOYSA-N 0 1 391.258 3.772 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(=O)c2ccc(F)cc2o1 ZINC000807838413 885804374 /nfs/dbraw/zinc/80/43/74/885804374.db2.gz QPSFHIYSZSXHRE-UHFFFAOYSA-N 0 1 382.174 3.875 20 10 GHCDMN Cc1nc(-c2ncccn2)sc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839470 885806095 /nfs/dbraw/zinc/80/60/95/885806095.db2.gz FFQIIEGTJGKTTA-UHFFFAOYSA-N 0 1 395.271 3.851 20 10 GHCDMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccccc2O)nc1Cc1ccccc1 ZINC001184140341 913023993 /nfs/dbraw/zinc/02/39/93/913023993.db2.gz HQFMGUHXLHCUOS-AWEZNQCLSA-N 0 1 381.501 3.984 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000808729532 886744565 /nfs/dbraw/zinc/74/45/65/886744565.db2.gz LOAPLCBTTVKBDW-DAYGRLMNSA-N 0 1 378.266 3.690 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531819 887196188 /nfs/dbraw/zinc/19/61/88/887196188.db2.gz FQXNXBDAGAJRIJ-JXFKEZNVSA-N 0 1 382.504 3.936 20 10 GHCDMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(F)c(F)c1O ZINC000864035659 887526944 /nfs/dbraw/zinc/52/69/44/887526944.db2.gz DKRCHMIOXUZKAZ-UHFFFAOYSA-N 0 1 396.459 3.766 20 10 GHCDMN COc1c([O-])c(C[N@H+](CCc2ccccc2)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000809736674 887717713 /nfs/dbraw/zinc/71/77/13/887717713.db2.gz FCUNPCJAAUUPQS-UHFFFAOYSA-N 0 1 393.443 3.949 20 10 GHCDMN COc1c([O-])c(C[N@@H+](CCc2ccccc2)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000809736674 887717722 /nfs/dbraw/zinc/71/77/22/887717722.db2.gz FCUNPCJAAUUPQS-UHFFFAOYSA-N 0 1 393.443 3.949 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000809704741 887724841 /nfs/dbraw/zinc/72/48/41/887724841.db2.gz IVWJKXVIIZDIEQ-CQSZACIVSA-N 0 1 382.220 3.742 20 10 GHCDMN CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3cc(Cl)ccc3[O-])c2)n1 ZINC000809762671 887803411 /nfs/dbraw/zinc/80/34/11/887803411.db2.gz WNELPARLBPGOJL-UHFFFAOYSA-N 0 1 385.851 3.698 20 10 GHCDMN CNC(=O)C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1 ZINC000796035801 913192367 /nfs/dbraw/zinc/19/23/67/913192367.db2.gz DDMVQQHSKWHCGY-GOSISDBHSA-N 0 1 379.426 3.738 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236628 888336510 /nfs/dbraw/zinc/33/65/10/888336510.db2.gz JPUFOYBCATWPHL-QGZVFWFLSA-N 0 1 378.394 3.938 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)ccc1Cl ZINC000810632276 888726496 /nfs/dbraw/zinc/72/64/96/888726496.db2.gz WDBVKVHQTSDSGC-CQSZACIVSA-N 0 1 395.286 3.799 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CCSC2)C1 ZINC001132497216 888973296 /nfs/dbraw/zinc/97/32/96/888973296.db2.gz DFNFQUAMASRAOF-QGZVFWFLSA-N 0 1 385.577 3.667 20 10 GHCDMN CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccc(N2CCCCC2)cc1 ZINC000154083484 889168992 /nfs/dbraw/zinc/16/89/92/889168992.db2.gz JPWLNQHFFUYWLK-SFHVURJKSA-N 0 1 397.485 3.910 20 10 GHCDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000795092549 890042949 /nfs/dbraw/zinc/04/29/49/890042949.db2.gz HNBPDYZLIRSBJD-HNNXBMFYSA-N 0 1 393.875 3.555 20 10 GHCDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000795092549 890042962 /nfs/dbraw/zinc/04/29/62/890042962.db2.gz HNBPDYZLIRSBJD-HNNXBMFYSA-N 0 1 393.875 3.555 20 10 GHCDMN CC[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1O ZINC000287753747 913522219 /nfs/dbraw/zinc/52/22/19/913522219.db2.gz QKYXVSUFJVBLTK-HNNXBMFYSA-N 0 1 383.279 3.737 20 10 GHCDMN COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)cc1Cn1cccn1 ZINC000873051139 891444637 /nfs/dbraw/zinc/44/46/37/891444637.db2.gz ZYUWAXYIQYQELW-HNNXBMFYSA-N 0 1 399.466 3.947 20 10 GHCDMN CCCCNC(=O)[C@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275371239 913593106 /nfs/dbraw/zinc/59/31/06/913593106.db2.gz VGAHPGIMIINBNB-GOSISDBHSA-N 0 1 377.960 3.924 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825784869 892573511 /nfs/dbraw/zinc/57/35/11/892573511.db2.gz QSTPUDQWRNURSV-SFHVURJKSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825784869 892573517 /nfs/dbraw/zinc/57/35/17/892573517.db2.gz QSTPUDQWRNURSV-SFHVURJKSA-N 0 1 399.329 3.891 20 10 GHCDMN CN1CCCc2cc(CNCc3c(Cl)cccc3N3CCOCC3)ccc21 ZINC000815123273 893459697 /nfs/dbraw/zinc/45/96/97/893459697.db2.gz ZIAIWGXPTWKHNB-UHFFFAOYSA-N 0 1 385.939 3.849 20 10 GHCDMN Cc1cc(CN(CCO)Cc2ccc(Br)s2)ccc1N(C)C ZINC000815100093 893472382 /nfs/dbraw/zinc/47/23/82/893472382.db2.gz CFOMYYLAVVSRDC-UHFFFAOYSA-N 0 1 383.355 3.880 20 10 GHCDMN C[C@@H](NCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1O ZINC000877755997 893793909 /nfs/dbraw/zinc/79/39/09/893793909.db2.gz XQUGAFBIKQXXTL-CYBMUJFWSA-N 0 1 389.521 3.993 20 10 GHCDMN CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1cc(Br)ccc1[O-] ZINC000816519532 894877051 /nfs/dbraw/zinc/87/70/51/894877051.db2.gz MTKVPKPUFSTMIR-UHFFFAOYSA-N 0 1 391.265 3.622 20 10 GHCDMN CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1cc(Br)ccc1[O-] ZINC000816519532 894877066 /nfs/dbraw/zinc/87/70/66/894877066.db2.gz MTKVPKPUFSTMIR-UHFFFAOYSA-N 0 1 391.265 3.622 20 10 GHCDMN COc1ccc(CN(CC(=O)NCc2ccc(N(C)C)cc2)C(C)(C)C)cc1 ZINC001170835231 894971506 /nfs/dbraw/zinc/97/15/06/894971506.db2.gz JWEHTPANZJXMOI-UHFFFAOYSA-N 0 1 383.536 3.678 20 10 GHCDMN CC(C)C(=O)Nc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000816682121 895023547 /nfs/dbraw/zinc/02/35/47/895023547.db2.gz PIVPOLBKYRFAOJ-UHFFFAOYSA-N 0 1 382.247 3.619 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1Cl ZINC000826123951 895286658 /nfs/dbraw/zinc/28/66/58/895286658.db2.gz XQFLNGUSXSRVFA-HXUWFJFHSA-N 0 1 375.896 3.974 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000774910407 914008201 /nfs/dbraw/zinc/00/82/01/914008201.db2.gz WZQFIMZHHLSWMT-BDVYOWHSSA-N 0 1 378.469 3.869 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@@H](N[C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148590 914057683 /nfs/dbraw/zinc/05/76/83/914057683.db2.gz GDNSZXFDXLJNGF-APWZRJJASA-N 0 1 399.445 3.754 20 10 GHCDMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824769242 899796991 /nfs/dbraw/zinc/79/69/91/899796991.db2.gz RZFHSJNRRXNZOF-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824769242 899796998 /nfs/dbraw/zinc/79/69/98/899796998.db2.gz RZFHSJNRRXNZOF-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825190462 900039179 /nfs/dbraw/zinc/03/91/79/900039179.db2.gz KRJKRUFRJGMVPJ-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000825298382 900078351 /nfs/dbraw/zinc/07/83/51/900078351.db2.gz ZSVRRAKILYHGJF-UHFFFAOYSA-N 0 1 382.327 3.544 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000844217263 900582989 /nfs/dbraw/zinc/58/29/89/900582989.db2.gz KCLHCGDIJDUXTM-ALCCZGGFSA-N 0 1 396.447 3.609 20 10 GHCDMN C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212632 900607061 /nfs/dbraw/zinc/60/70/61/900607061.db2.gz KLOPZOGSLGDTHG-KQIUPUNMSA-N 0 1 387.461 3.637 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c1O ZINC000844410079 900840399 /nfs/dbraw/zinc/84/03/99/900840399.db2.gz NBQFIWVAQJHRNO-SJKOYZFVSA-N 0 1 387.455 3.695 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1F ZINC000886747240 901251425 /nfs/dbraw/zinc/25/14/25/901251425.db2.gz OTQKDYGOEBGGBF-OAQYLSRUSA-N 0 1 387.474 3.907 20 10 GHCDMN O=C([O-])C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)CC1CC1 ZINC000844940490 901525554 /nfs/dbraw/zinc/52/55/54/901525554.db2.gz VZYOFQVVMKAAKS-UHFFFAOYSA-N 0 1 381.314 3.736 20 10 GHCDMN COc1ccc(C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](CO)C(C)C)cc1 ZINC000778996480 902625505 /nfs/dbraw/zinc/62/55/05/902625505.db2.gz QOSKQBLZLICWFT-OAQYLSRUSA-N 0 1 389.467 3.762 20 10 GHCDMN COc1ccc(C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](CO)C(C)C)cc1 ZINC000778996480 902625509 /nfs/dbraw/zinc/62/55/09/902625509.db2.gz QOSKQBLZLICWFT-OAQYLSRUSA-N 0 1 389.467 3.762 20 10 GHCDMN Cc1ccc(CO)cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000577931966 903358700 /nfs/dbraw/zinc/35/87/00/903358700.db2.gz QGKIYWBFHHZZJN-UHFFFAOYSA-N 0 1 391.515 3.847 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)S[C@@H](C)C2)C1 ZINC001148589506 904130423 /nfs/dbraw/zinc/13/04/23/904130423.db2.gz ZNRKJFPFORSIRF-IRXDYDNUSA-N 0 1 385.577 3.760 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000174919534 905389168 /nfs/dbraw/zinc/38/91/68/905389168.db2.gz HNHUFQDGIWWKHL-UHFFFAOYSA-N 0 1 394.591 3.942 20 10 GHCDMN C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000773406323 907207943 /nfs/dbraw/zinc/20/79/43/907207943.db2.gz BPWPZGJXBRYSIA-ROUUACIJSA-N 0 1 395.551 3.733 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc2ccccc2c1[O-] ZINC000185063791 907706269 /nfs/dbraw/zinc/70/62/69/907706269.db2.gz VHVCEAAURUVCAR-MRXNPFEDSA-N 0 1 378.472 3.863 20 10 GHCDMN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1[O-] ZINC000185069236 907708244 /nfs/dbraw/zinc/70/82/44/907708244.db2.gz FKVULUCEHPTGDA-AWEZNQCLSA-N 0 1 390.325 3.865 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1[O-] ZINC000185069252 907708295 /nfs/dbraw/zinc/70/82/95/907708295.db2.gz FKVULUCEHPTGDA-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Br)cc1[O-] ZINC000185650174 907805162 /nfs/dbraw/zinc/80/51/62/907805162.db2.gz WZWUBAVOXZSODT-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000186068543 907874096 /nfs/dbraw/zinc/87/40/96/907874096.db2.gz XHQMQHJYYFOTPP-GFCCVEGCSA-N 0 1 381.270 3.527 20 10 GHCDMN CN(C)CC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001177093169 908404000 /nfs/dbraw/zinc/40/40/00/908404000.db2.gz OIXZVUAALVDPTA-UHFFFAOYSA-N 0 1 394.151 3.595 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC001177344398 908535884 /nfs/dbraw/zinc/53/58/84/908535884.db2.gz XHRKPRDTSUPEQY-UHFFFAOYSA-N 0 1 388.543 3.735 20 10 GHCDMN CN(Cc1cc2c(cc1O)OCO2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245542419 909718851 /nfs/dbraw/zinc/71/88/51/909718851.db2.gz POQYPUQUSHPPTD-QAPCUYQASA-N 0 1 382.243 3.518 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001180034755 909905007 /nfs/dbraw/zinc/90/50/07/909905007.db2.gz GZYUKBDKSURYMV-NSHDSACASA-N 0 1 381.810 3.570 20 10 GHCDMN O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)Nc1cccc(F)c1 ZINC001180194739 910030962 /nfs/dbraw/zinc/03/09/62/910030962.db2.gz MCCQZJVHYLNYMW-ZDUSSCGKSA-N 0 1 393.409 3.843 20 10 GHCDMN COc1cc(CN2CCN(CCOc3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC001180422753 910159071 /nfs/dbraw/zinc/15/90/71/910159071.db2.gz MQMXCZQSHCOVRV-UHFFFAOYSA-N 0 1 398.547 3.895 20 10 GHCDMN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001180882478 910414171 /nfs/dbraw/zinc/41/41/71/910414171.db2.gz BKGLMFMXYIHJJE-NRFANRHFSA-N 0 1 375.415 3.811 20 10 GHCDMN CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001181590752 910850624 /nfs/dbraw/zinc/85/06/24/910850624.db2.gz PIOZRNSPACEGIP-OAHLLOKOSA-N 0 1 399.329 3.906 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000801928525 921638558 /nfs/dbraw/zinc/63/85/58/921638558.db2.gz UWZPJJBHVBGADO-MRXNPFEDSA-N 0 1 398.894 3.625 20 10 GHCDMN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000774452923 911758017 /nfs/dbraw/zinc/75/80/17/911758017.db2.gz PMQLOTIDFGBCOY-ZFWWWQNUSA-N 0 1 393.329 3.516 20 10 GHCDMN CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498585 918371916 /nfs/dbraw/zinc/37/19/16/918371916.db2.gz BGOAYEKFYRUWHK-KRWDZBQOSA-N 0 1 391.309 3.902 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893086 919288886 /nfs/dbraw/zinc/28/88/86/919288886.db2.gz PXRRKANJAUKGMF-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893086 919288900 /nfs/dbraw/zinc/28/89/00/919288900.db2.gz PXRRKANJAUKGMF-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN COc1cc(N2CCN(CCSC3CCCCC3)CC2)cc(OC)c1OC ZINC000800372497 919996411 /nfs/dbraw/zinc/99/64/11/919996411.db2.gz LPWKMRPYBTXBFT-UHFFFAOYSA-N 0 1 394.581 3.900 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCC(F)(F)C1 ZINC000800519721 920240017 /nfs/dbraw/zinc/24/00/17/920240017.db2.gz UQWLIGQIERTTEJ-CJNGLKHVSA-N 0 1 386.870 3.952 20 10 GHCDMN COc1cc(N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)ccc1F ZINC000802742997 922375063 /nfs/dbraw/zinc/37/50/63/922375063.db2.gz DTQPDQJPUTXZKJ-UHFFFAOYSA-N 0 1 388.483 3.865 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000902755486 922469401 /nfs/dbraw/zinc/46/94/01/922469401.db2.gz PVSMAMYBAWSLON-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(CC2CCC2)c1 ZINC000903076206 922752087 /nfs/dbraw/zinc/75/20/87/922752087.db2.gz LLTHKUMGAPOWON-INIZCTEOSA-N 0 1 386.515 3.634 20 10 GHCDMN CC[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000903346706 922945993 /nfs/dbraw/zinc/94/59/93/922945993.db2.gz IREDQPVWFLRHLL-OAHLLOKOSA-N 0 1 384.314 3.517 20 10 GHCDMN O=C(CCCc1ccccc1)N1CCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000748798157 923835390 /nfs/dbraw/zinc/83/53/90/923835390.db2.gz LEUVNPJIKVZTFG-UHFFFAOYSA-N 0 1 389.499 3.608 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc2ccccc2c1 ZINC001137438093 925788793 /nfs/dbraw/zinc/78/87/93/925788793.db2.gz HIPCCLQOUYATJK-LJQANCHMSA-N 0 1 395.890 3.988 20 10 GHCDMN CCOc1ccccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137438600 925789618 /nfs/dbraw/zinc/78/96/18/925789618.db2.gz OTBXEHFTPHNGPT-KRWDZBQOSA-N 0 1 388.895 3.839 20 10 GHCDMN FC(F)Oc1ccc(N2CCC(NCc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000726608061 926761445 /nfs/dbraw/zinc/76/14/45/926761445.db2.gz KGKWNURRATVPFM-UHFFFAOYSA-N 0 1 399.445 3.627 20 10 GHCDMN C[C@@H]1[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCC12CCOCC2 ZINC000758272537 929998426 /nfs/dbraw/zinc/99/84/26/929998426.db2.gz JJLZRQYWQAWSMK-INIZCTEOSA-N 0 1 381.472 3.720 20 10 GHCDMN COc1ccccc1OCC[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781897084 931016971 /nfs/dbraw/zinc/01/69/71/931016971.db2.gz CGRZLTAQPWBOJN-UHFFFAOYSA-N 0 1 380.282 3.983 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000781911711 931025133 /nfs/dbraw/zinc/02/51/33/931025133.db2.gz OLSFTNFFJBKOEA-SFHVURJKSA-N 0 1 376.294 3.945 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1[O-] ZINC000782291335 931161498 /nfs/dbraw/zinc/16/14/98/931161498.db2.gz RCXNSSSULCJERG-SFHVURJKSA-N 0 1 388.467 3.788 20 10 GHCDMN COc1ccnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000924705804 931481057 /nfs/dbraw/zinc/48/10/57/931481057.db2.gz MLXLLNSQDGUNBG-CQSZACIVSA-N 0 1 395.425 3.796 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC001116875222 933806521 /nfs/dbraw/zinc/80/65/21/933806521.db2.gz CFHSEVRTGVPBRU-OMPKRAJASA-N 0 1 389.293 3.828 20 10 GHCDMN Oc1cc2c(cc1O)CN(Cc1[nH]nc3ccc(Br)cc31)CCC2 ZINC001139660192 933946733 /nfs/dbraw/zinc/94/67/33/933946733.db2.gz JNYLNULRXSIPEO-UHFFFAOYSA-N 0 1 388.265 3.685 20 10 GHCDMN COC1CCN(c2ccc(CN3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000828511052 935648917 /nfs/dbraw/zinc/64/89/17/935648917.db2.gz IQLHCZNVFWHRRD-DEOSSOPVSA-N 0 1 379.548 3.791 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]2CF)CC1 ZINC001137833093 935813208 /nfs/dbraw/zinc/81/32/08/935813208.db2.gz SGOZFJVQSNYWRR-DZGCQCFKSA-N 0 1 382.451 3.606 20 10 GHCDMN CN(CCC[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])Cc1ccco1 ZINC001598478442 992110834 /nfs/dbraw/zinc/11/08/34/992110834.db2.gz ODHVKBZLCDIPKZ-UHFFFAOYSA-N 0 1 387.455 3.563 20 10 GHCDMN COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)cc1F ZINC001599586433 993619869 /nfs/dbraw/zinc/61/98/69/993619869.db2.gz RKXJZEBWDPHPMC-UHFFFAOYSA-N 0 1 378.831 3.508 20 10 GHCDMN CC(C)c1ccc(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001221430058 1032412268 /nfs/dbraw/zinc/41/22/68/1032412268.db2.gz REYAMSJCPRKTQH-UHFFFAOYSA-N 0 1 380.536 3.561 20 10 GHCDMN C[N@H+]1CCC[C@H](Oc2c(O)c([O-])cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227505621 1032445207 /nfs/dbraw/zinc/44/52/07/1032445207.db2.gz PKGDBUAVIVHRAX-HNNXBMFYSA-N 0 1 381.428 3.734 20 10 GHCDMN CCC[C@@H](Oc1c(O)c(C(=O)OC)sc1C(=O)OC)c1ccc(OC)cc1 ZINC001227622095 1032488879 /nfs/dbraw/zinc/48/88/79/1032488879.db2.gz KHAAXDRYJVIKKY-CYBMUJFWSA-N 0 1 394.445 3.956 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCCC(=O)C3(C)C)c1C2=O ZINC001227995618 1032730540 /nfs/dbraw/zinc/73/05/40/1032730540.db2.gz YMULMIDMUAHDRE-SFHVURJKSA-N 0 1 394.423 3.708 20 10 GHCDMN Cc1cnc(F)c([C@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)c1 ZINC001228522868 1032969421 /nfs/dbraw/zinc/96/94/21/1032969421.db2.gz QLLKKAVUMZMHTJ-NSHDSACASA-N 0 1 399.374 3.723 20 10 GHCDMN CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cccc(C)c1O ZINC000800543478 1021317624 /nfs/dbraw/zinc/31/76/24/1021317624.db2.gz CLUZJQQIDQUQFA-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN CCCCN(Cc1ccccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000801594522 1021419862 /nfs/dbraw/zinc/41/98/62/1021419862.db2.gz DHKDAHMNPFYHCA-SFHVURJKSA-N 0 1 391.309 3.983 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001140338407 1021445544 /nfs/dbraw/zinc/44/55/44/1021445544.db2.gz INNDAAITDFZBQR-LAUBAEHRSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001140338407 1021445552 /nfs/dbraw/zinc/44/55/52/1021445552.db2.gz INNDAAITDFZBQR-LAUBAEHRSA-N 0 1 388.895 3.781 20 10 GHCDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140464880 1021756719 /nfs/dbraw/zinc/75/67/19/1021756719.db2.gz DRXFCFGSPCYDJS-UHFFFAOYSA-N 0 1 398.931 3.894 20 10 GHCDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140464880 1021756731 /nfs/dbraw/zinc/75/67/31/1021756731.db2.gz DRXFCFGSPCYDJS-UHFFFAOYSA-N 0 1 398.931 3.894 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001140466374 1021760353 /nfs/dbraw/zinc/76/03/53/1021760353.db2.gz CMZKXUOKJSQFEE-QKNQBKEWSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001140466374 1021760370 /nfs/dbraw/zinc/76/03/70/1021760370.db2.gz CMZKXUOKJSQFEE-QKNQBKEWSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(Oc2ncc(Br)cn2)CC1 ZINC001140467548 1021763461 /nfs/dbraw/zinc/76/34/61/1021763461.db2.gz WZTYNBOKHSMXIF-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2)CC1 ZINC001140475648 1021772245 /nfs/dbraw/zinc/77/22/45/1021772245.db2.gz ARVMHYACGXZTNP-IHPCNDPISA-N 0 1 389.515 3.534 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(C(=O)c3ccccc3)C[C@H]2C)c(O)c1 ZINC001140856957 1022714336 /nfs/dbraw/zinc/71/43/36/1022714336.db2.gz QENZYPJJHGLYMK-GOSISDBHSA-N 0 1 381.520 3.585 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000756122647 1023529317 /nfs/dbraw/zinc/52/93/17/1023529317.db2.gz UDMXMDWAQNEAAI-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN C[C@H]1C[C@@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2c1c(F)ccc2O ZINC000756362616 1023608055 /nfs/dbraw/zinc/60/80/55/1023608055.db2.gz AWUGNSXXQWLYEC-JOYOIKCWSA-N 0 1 380.345 3.931 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756673910 1023769368 /nfs/dbraw/zinc/76/93/68/1023769368.db2.gz BDGVARRBSVUFOR-SUMWQHHRSA-N 0 1 389.293 3.606 20 10 GHCDMN C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756708450 1023783266 /nfs/dbraw/zinc/78/32/66/1023783266.db2.gz QTIRUROHHRAOAZ-GFCCVEGCSA-N 0 1 395.272 3.765 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000756763073 1023805639 /nfs/dbraw/zinc/80/56/39/1023805639.db2.gz SZRRSRMKJHYXAJ-MLGOLLRUSA-N 0 1 381.314 3.739 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(-c2ccsc2)n1 ZINC001156660396 1033163145 /nfs/dbraw/zinc/16/31/45/1033163145.db2.gz WJZPXHMJJMSJAV-UHFFFAOYSA-N 0 1 379.533 3.877 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C)C[C@H]3CC(C)C)c2C)cc1 ZINC001156675245 1033176020 /nfs/dbraw/zinc/17/60/20/1033176020.db2.gz DZIVMHFKDRIWRA-HXUWFJFHSA-N 0 1 383.536 3.905 20 10 GHCDMN CN1CCOc2cc(CN3CCC[C@H](N4Cc5ccccc5NC4=O)C3)ccc21 ZINC001141146473 1023966657 /nfs/dbraw/zinc/96/66/57/1023966657.db2.gz WNHWBZZCTYUKBM-IBGZPJMESA-N 0 1 392.503 3.527 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)c1ccccc1C ZINC000830796334 1024154139 /nfs/dbraw/zinc/15/41/39/1024154139.db2.gz AIBBDSFMFPUGKT-KRWDZBQOSA-N 0 1 377.282 3.512 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138123615 1024167481 /nfs/dbraw/zinc/16/74/81/1024167481.db2.gz CHXLSQFCQMJIOA-OXJNMPFZSA-N 0 1 382.451 3.702 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001138127180 1024173242 /nfs/dbraw/zinc/17/32/42/1024173242.db2.gz RIEXIBNURJSFJB-HXUWFJFHSA-N 0 1 391.437 3.660 20 10 GHCDMN Cc1cc(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000837191315 1024210618 /nfs/dbraw/zinc/21/06/18/1024210618.db2.gz ZGVBUNFTNMFOJY-UHFFFAOYSA-N 0 1 399.882 3.945 20 10 GHCDMN Oc1c(CN2CC3(CCN3Cc3ccccc3)C2)cc2c3c1CCCN3CCC2 ZINC001138340570 1024701360 /nfs/dbraw/zinc/70/13/60/1024701360.db2.gz VWPNONYPQZIMDX-UHFFFAOYSA-N 0 1 389.543 3.551 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(OC4CCOCC4)cc3)CC2)c(C)c1 ZINC001141417704 1024970454 /nfs/dbraw/zinc/97/04/54/1024970454.db2.gz DVBNPRFYJNDQOH-UHFFFAOYSA-N 0 1 396.531 3.884 20 10 GHCDMN CC(C)c1nc(CNCc2ccc(N3CCCCC3)c(Br)c2)n[nH]1 ZINC000839122531 1025617752 /nfs/dbraw/zinc/61/77/52/1025617752.db2.gz COHZXCGYYWIJJU-UHFFFAOYSA-N 0 1 392.345 3.971 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001139129303 1025941167 /nfs/dbraw/zinc/94/11/67/1025941167.db2.gz VGGUPJIUNCXWRX-GHTZIAJQSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001139129303 1025941171 /nfs/dbraw/zinc/94/11/71/1025941171.db2.gz VGGUPJIUNCXWRX-GHTZIAJQSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001139129303 1025941173 /nfs/dbraw/zinc/94/11/73/1025941173.db2.gz 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/nfs/dbraw/zinc/81/93/41/1044819341.db2.gz FCFVDJJWDAFENJ-KBXCAEBGSA-N 0 1 388.895 3.636 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001294858692 1044819719 /nfs/dbraw/zinc/81/97/19/1044819719.db2.gz FCWHQQMSOLQPQS-AQNXPRMDSA-N 0 1 384.907 3.930 20 10 GHCDMN Cc1ccsc1[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749298791 1047695598 /nfs/dbraw/zinc/69/55/98/1047695598.db2.gz XIHUIPOZPJJBFE-MRXNPFEDSA-N 0 1 375.494 3.778 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cc1Cl ZINC001279433057 1047804448 /nfs/dbraw/zinc/80/44/48/1047804448.db2.gz MCPKMRJNRMGELP-MAUKXSAKSA-N 0 1 390.936 3.691 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)cc1Cl ZINC001279433057 1047804455 /nfs/dbraw/zinc/80/44/55/1047804455.db2.gz MCPKMRJNRMGELP-MAUKXSAKSA-N 0 1 390.936 3.691 20 10 GHCDMN O=C(NCC(F)F)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001279981758 1048025699 /nfs/dbraw/zinc/02/56/99/1048025699.db2.gz FRHGGARMOAEHPG-CYBMUJFWSA-N 0 1 386.870 3.809 20 10 GHCDMN O=C([C@@H]1CCSC12CN(Cc1cc(Cl)ccc1O)C2)N1CCCC12CC2 ZINC001279983223 1048026989 /nfs/dbraw/zinc/02/69/89/1048026989.db2.gz HKVYGRSBSYZEKH-INIZCTEOSA-N 0 1 392.952 3.508 20 10 GHCDMN O=[N+]([O-])c1ccc2oc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)nc2c1 ZINC000751479493 1048915473 /nfs/dbraw/zinc/91/54/73/1048915473.db2.gz PTFDAGZCQYHGRX-INIZCTEOSA-N 0 1 383.404 3.623 20 10 GHCDMN CCc1cccc(NC(=O)CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000732230695 1048994113 /nfs/dbraw/zinc/99/41/13/1048994113.db2.gz NRZBGLZZKWOMSA-UHFFFAOYSA-N 0 1 396.491 3.876 20 10 GHCDMN NC(=O)[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(N=Nc3ccccc3)cc1)C2 ZINC001308109566 1049855046 /nfs/dbraw/zinc/85/50/46/1049855046.db2.gz BZVGELAYQPKCSA-AOMKIAJQSA-N 0 1 391.475 3.628 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001308123848 1049867120 /nfs/dbraw/zinc/86/71/20/1049867120.db2.gz FYUMDMIXKHRZQJ-DZGCQCFKSA-N 0 1 394.487 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC001308123848 1049867132 /nfs/dbraw/zinc/86/71/32/1049867132.db2.gz FYUMDMIXKHRZQJ-DZGCQCFKSA-N 0 1 394.487 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC001308123848 1049867145 /nfs/dbraw/zinc/86/71/45/1049867145.db2.gz FYUMDMIXKHRZQJ-DZGCQCFKSA-N 0 1 394.487 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC001308123849 1049868123 /nfs/dbraw/zinc/86/81/23/1049868123.db2.gz FYUMDMIXKHRZQJ-HIFRSBDPSA-N 0 1 394.487 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001308123849 1049868133 /nfs/dbraw/zinc/86/81/33/1049868133.db2.gz FYUMDMIXKHRZQJ-HIFRSBDPSA-N 0 1 394.487 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001308123849 1049868144 /nfs/dbraw/zinc/86/81/44/1049868144.db2.gz FYUMDMIXKHRZQJ-HIFRSBDPSA-N 0 1 394.487 3.717 20 10 GHCDMN COc1ccc(N2CC[C@@H](NCc3cnn(Cc4ccccc4)c3Cl)C2)cc1 ZINC001308461899 1049981739 /nfs/dbraw/zinc/98/17/39/1049981739.db2.gz UHWITWIMPLBEHK-LJQANCHMSA-N 0 1 396.922 3.962 20 10 GHCDMN COc1cc(C)c(CN2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c(O)c1 ZINC001308584803 1050020377 /nfs/dbraw/zinc/02/03/77/1050020377.db2.gz QAUYTVPXOVEPRW-HNNXBMFYSA-N 0 1 376.447 3.866 20 10 GHCDMN CCCNC(=O)CN(CCC)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308614032 1050032758 /nfs/dbraw/zinc/03/27/58/1050032758.db2.gz MSCDGRNVCRTUFW-UHFFFAOYSA-N 0 1 379.548 3.988 20 10 GHCDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1S(=O)(=O)NC(C)(C)C ZINC001308748416 1050080281 /nfs/dbraw/zinc/08/02/81/1050080281.db2.gz IXDWOYNDUWQVBX-UHFFFAOYSA-N 0 1 384.448 3.668 20 10 GHCDMN Cc1cc(Br)cc(CN2CC(N(C)Cc3ccccc3)C2)c1O ZINC001308807100 1050102471 /nfs/dbraw/zinc/10/24/71/1050102471.db2.gz HOBXAONIBJBZHO-UHFFFAOYSA-N 0 1 375.310 3.779 20 10 GHCDMN CCO[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308849410 1050123110 /nfs/dbraw/zinc/12/31/10/1050123110.db2.gz BQJDGTFNCLAOOK-RDTXWAMCSA-N 0 1 398.931 3.716 20 10 GHCDMN CCO[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308849410 1050123118 /nfs/dbraw/zinc/12/31/18/1050123118.db2.gz BQJDGTFNCLAOOK-RDTXWAMCSA-N 0 1 398.931 3.716 20 10 GHCDMN COC(=O)[C@H](Cc1cc2ccccc2o1)NCc1c(O)ccc(Cl)c1F ZINC001308937306 1050195721 /nfs/dbraw/zinc/19/57/21/1050195721.db2.gz WCURHZCSSVGXQT-HNNXBMFYSA-N 0 1 377.799 3.805 20 10 GHCDMN Nc1ccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC001335287879 1052063654 /nfs/dbraw/zinc/06/36/54/1052063654.db2.gz CTFNQWCGIWJTFS-SFHVURJKSA-N 0 1 377.410 3.741 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](C(C)(C)C)C3)cc2F)CC1 ZINC001311893065 1052461685 /nfs/dbraw/zinc/46/16/85/1052461685.db2.gz QUDHWFUCWSROHM-SFHVURJKSA-N 0 1 390.547 3.545 20 10 GHCDMN Cc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313212655 1052986366 /nfs/dbraw/zinc/98/63/66/1052986366.db2.gz SGPFAFFKWUMTHE-IBGZPJMESA-N 0 1 380.536 3.649 20 10 GHCDMN O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC001319688097 1055398905 /nfs/dbraw/zinc/39/89/05/1055398905.db2.gz FYFHVVJPWAGPNR-UHFFFAOYSA-N 0 1 384.863 3.554 20 10 GHCDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001320387240 1055782706 /nfs/dbraw/zinc/78/27/06/1055782706.db2.gz SCQXJPQIGUZLJG-XLIONFOSSA-N 0 1 382.504 3.508 20 10 GHCDMN COc1cc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)ccc1F ZINC001200552400 1056310602 /nfs/dbraw/zinc/31/06/02/1056310602.db2.gz XCEXLZIUUPYNJF-UHFFFAOYSA-N 0 1 383.400 3.847 20 10 GHCDMN CNC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC001322994443 1056903880 /nfs/dbraw/zinc/90/38/80/1056903880.db2.gz RXKKBEBYHWIMSW-UHFFFAOYSA-N 0 1 382.247 3.689 20 10 GHCDMN COc1cc(Br)cc([C@H](C)NCc2cn3c(cccc3C)n2)c1O ZINC000848528628 1057151700 /nfs/dbraw/zinc/15/17/00/1057151700.db2.gz NXNGUMSROOOMIF-LBPRGKRZSA-N 0 1 390.281 3.970 20 10 GHCDMN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000848572436 1057187063 /nfs/dbraw/zinc/18/70/63/1057187063.db2.gz HWHLICGCZLSKIV-LBPRGKRZSA-N 0 1 378.266 3.721 20 10 GHCDMN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000848573758 1057189255 /nfs/dbraw/zinc/18/92/55/1057189255.db2.gz XYVRMDVQDYMPKK-LBPRGKRZSA-N 0 1 378.266 3.721 20 10 GHCDMN CC1CCN(c2cccc(NC(=O)c3ccccc3N3CCN(C)CC3)c2)CC1 ZINC001339378885 1059156261 /nfs/dbraw/zinc/15/62/61/1059156261.db2.gz XUZXVFUNNLNOTR-UHFFFAOYSA-N 0 1 392.547 3.927 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)cc(F)c1O ZINC001443828628 1059212516 /nfs/dbraw/zinc/21/25/16/1059212516.db2.gz ZFLIIDTZDKEYGQ-UHFFFAOYSA-N 0 1 381.245 3.598 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3nsc4ccccc43)cc2F)CC1 ZINC001435077332 1062275992 /nfs/dbraw/zinc/27/59/92/1062275992.db2.gz VSUJPTDHMYUEKP-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC001200253322 1065744255 /nfs/dbraw/zinc/74/42/55/1065744255.db2.gz AADAZGXUMQPXKP-CYBMUJFWSA-N 0 1 395.881 3.926 20 10 GHCDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001300226031 1065760000 /nfs/dbraw/zinc/76/00/00/1065760000.db2.gz BPULVYLXHUYBCI-GVDBMIGSSA-N 0 1 393.491 3.973 20 10 GHCDMN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC001465718556 1065806902 /nfs/dbraw/zinc/80/69/02/1065806902.db2.gz ASHKRSRGVYEPAQ-UHFFFAOYSA-N 0 1 376.464 3.531 20 10 GHCDMN CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465951094 1065934921 /nfs/dbraw/zinc/93/49/21/1065934921.db2.gz IUJMKOMNUPZGJQ-QFBILLFUSA-N 0 1 396.959 3.968 20 10 GHCDMN CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465951094 1065934924 /nfs/dbraw/zinc/93/49/24/1065934924.db2.gz IUJMKOMNUPZGJQ-QFBILLFUSA-N 0 1 396.959 3.968 20 10 GHCDMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465951092 1065935137 /nfs/dbraw/zinc/93/51/37/1065935137.db2.gz IUJMKOMNUPZGJQ-APWZRJJASA-N 0 1 396.959 3.968 20 10 GHCDMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465951092 1065935142 /nfs/dbraw/zinc/93/51/42/1065935142.db2.gz IUJMKOMNUPZGJQ-APWZRJJASA-N 0 1 396.959 3.968 20 10 GHCDMN Cc1cc(CN2CCC(CN=S(C)(C)=O)CC2)ccc1N1CCCCC1 ZINC001460805808 1069193345 /nfs/dbraw/zinc/19/33/45/1069193345.db2.gz CTHCFXPRMUYJKO-UHFFFAOYSA-N 0 1 377.598 3.925 20 10 GHCDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471191489 1072959932 /nfs/dbraw/zinc/95/99/32/1072959932.db2.gz OJWUYGCACFGXTN-AUSIDOKSSA-N 0 1 392.547 3.526 20 10 GHCDMN CCOCc1nc(C)cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC001472687985 1073619507 /nfs/dbraw/zinc/61/95/07/1073619507.db2.gz MZKIITINBUGAOS-QGZVFWFLSA-N 0 1 390.915 3.757 20 10 GHCDMN CCOCc1nc(C)cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC001472687985 1073619512 /nfs/dbraw/zinc/61/95/12/1073619512.db2.gz MZKIITINBUGAOS-QGZVFWFLSA-N 0 1 390.915 3.757 20 10 GHCDMN CCOCc1cc(CNCc2ccc(OCC(F)(F)F)nc2)ccc1OC ZINC001473934444 1074210724 /nfs/dbraw/zinc/21/07/24/1074210724.db2.gz ZXBIQROSGTXGTH-UHFFFAOYSA-N 0 1 384.398 3.858 20 10 GHCDMN COc1ccc(CNCc2ccccc2Br)cc1Cn1cccn1 ZINC001473964753 1074220076 /nfs/dbraw/zinc/22/00/76/1074220076.db2.gz MMSCTTTWKAUKNL-UHFFFAOYSA-N 0 1 386.293 3.992 20 10 GHCDMN CN1CCCc2cc(CNCc3cc4c(cc3OC(F)F)OCO4)ccc21 ZINC001473963863 1074220175 /nfs/dbraw/zinc/22/01/75/1074220175.db2.gz WAIXIICMBSBIPY-UHFFFAOYSA-N 0 1 376.403 3.689 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001474390780 1074380928 /nfs/dbraw/zinc/38/09/28/1074380928.db2.gz FOIDBVCVGHWKFG-RVSPLBMKSA-N 0 1 382.451 3.796 20 10 GHCDMN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)[nH]1 ZINC001474433095 1074403389 /nfs/dbraw/zinc/40/33/89/1074403389.db2.gz PZTGOTYZMDXGCN-SNVBAGLBSA-N 0 1 385.693 3.614 20 10 GHCDMN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001474433095 1074403393 /nfs/dbraw/zinc/40/33/93/1074403393.db2.gz PZTGOTYZMDXGCN-SNVBAGLBSA-N 0 1 385.693 3.614 20 10 GHCDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001474433095 1074403404 /nfs/dbraw/zinc/40/34/04/1074403404.db2.gz PZTGOTYZMDXGCN-SNVBAGLBSA-N 0 1 385.693 3.614 20 10 GHCDMN Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n[nH]1 ZINC001474433095 1074403410 /nfs/dbraw/zinc/40/34/10/1074403410.db2.gz PZTGOTYZMDXGCN-SNVBAGLBSA-N 0 1 385.693 3.614 20 10 GHCDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n[nH]1 ZINC001474433095 1074403417 /nfs/dbraw/zinc/40/34/17/1074403417.db2.gz PZTGOTYZMDXGCN-SNVBAGLBSA-N 0 1 385.693 3.614 20 10 GHCDMN C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001621462725 1126246470 /nfs/dbraw/zinc/24/64/70/1126246470.db2.gz COERUFLLWUGZMV-QGZVFWFLSA-N 0 1 384.701 3.891 20 10 GHCDMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccc(C)cc1 ZINC000832909249 601049292 /nfs/dbraw/zinc/04/92/92/601049292.db2.gz ABPYFMRAFFKNCP-UHFFFAOYSA-N 0 1 398.503 3.541 20 10 GHCDMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCCC2)cc1 ZINC000824607323 608283957 /nfs/dbraw/zinc/28/39/57/608283957.db2.gz XGBJQLQAOQAVFJ-HNNXBMFYSA-N 0 1 380.471 3.847 20 10 GHCDMN C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000274767891 835196106 /nfs/dbraw/zinc/19/61/06/835196106.db2.gz GRRMLVPRCKDDAI-SFHVURJKSA-N 0 1 398.526 3.898 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000097494603 835254941 /nfs/dbraw/zinc/25/49/41/835254941.db2.gz JDKDJVHTPXLNMR-UHFFFAOYSA-N 0 1 389.499 3.999 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000177274695 836236356 /nfs/dbraw/zinc/23/63/56/836236356.db2.gz NAIJPTBKZFVKIS-UHFFFAOYSA-N 0 1 388.414 3.724 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000382440603 838124886 /nfs/dbraw/zinc/12/48/86/838124886.db2.gz DVLFYFRIKWKDJZ-SWLSCSKDSA-N 0 1 399.329 3.938 20 10 GHCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181577608 838843601 /nfs/dbraw/zinc/84/36/01/838843601.db2.gz NSSCVKMUJJALSR-MRXNPFEDSA-N 0 1 399.510 3.648 20 10 GHCDMN 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COc1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c(C)n1 ZINC000435822900 850906425 /nfs/dbraw/zinc/90/64/25/850906425.db2.gz WGAXUQJYULTDRE-UHFFFAOYSA-N 0 1 392.503 3.759 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(F)(F)F)C1 ZINC000435992758 851078712 /nfs/dbraw/zinc/07/87/12/851078712.db2.gz IAOAFVSGDUTYJK-AWEZNQCLSA-N 0 1 381.442 3.865 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c(Cl)c1Cl ZINC000766048814 862562745 /nfs/dbraw/zinc/56/27/45/862562745.db2.gz WIOWYIWXOMKNCD-UHFFFAOYSA-N 0 1 390.244 3.711 20 10 GHCDMN CCN(CC)[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000729527990 856413611 /nfs/dbraw/zinc/41/36/11/856413611.db2.gz WBHBFVZQSHPEDM-WMZHIEFXSA-N 0 1 395.547 3.784 20 10 GHCDMN CC1CCN(c2ccc(CNCc3cc(Br)nn3C)cc2)CC1 ZINC000785460345 857775330 /nfs/dbraw/zinc/77/53/30/857775330.db2.gz YHLOHOJVEYLOIE-UHFFFAOYSA-N 0 1 377.330 3.709 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1 ZINC000907816096 857791273 /nfs/dbraw/zinc/79/12/73/857791273.db2.gz QDCIHSWANXJNPB-UBAGTECSSA-N 0 1 381.476 3.556 20 10 GHCDMN COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])c([N+](=O)[O-])c1 ZINC001170319633 881354450 /nfs/dbraw/zinc/35/44/50/881354450.db2.gz XPKOMOKWYHHPKZ-NSHDSACASA-N 0 1 395.253 3.792 20 10 GHCDMN CC1(C)CN(C(=O)C2CC2)CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000761226281 859641966 /nfs/dbraw/zinc/64/19/66/859641966.db2.gz NVOBJVHLXNSADA-UHFFFAOYSA-N 0 1 394.515 3.804 20 10 GHCDMN C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000765330817 859911137 /nfs/dbraw/zinc/91/11/37/859911137.db2.gz YGWGFBFBCNMDHS-LJQANCHMSA-N 0 1 386.561 3.943 20 10 GHCDMN COc1ccc(N2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC001170351499 881485839 /nfs/dbraw/zinc/48/58/39/881485839.db2.gz CSAYSXRUOJXLRJ-KRWDZBQOSA-N 0 1 399.491 3.674 20 10 GHCDMN CCn1nc(C)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1C ZINC000765659429 860382463 /nfs/dbraw/zinc/38/24/63/860382463.db2.gz MEWDKSVRKWQFQM-CQSZACIVSA-N 0 1 376.932 3.861 20 10 GHCDMN CCOCc1cc(CNC[C@](O)(c2ccccc2)C(F)(F)F)ccc1OC ZINC000170790654 860701895 /nfs/dbraw/zinc/70/18/95/860701895.db2.gz XLMYQDVAMASFPS-IBGZPJMESA-N 0 1 383.410 3.771 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000730194333 860937669 /nfs/dbraw/zinc/93/76/69/860937669.db2.gz MTJNXMKJVAXUSR-PMACEKPBSA-N 0 1 399.485 3.527 20 10 GHCDMN COc1ccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000734202803 864068183 /nfs/dbraw/zinc/06/81/83/864068183.db2.gz KHBBOEMERYRAHN-UHFFFAOYSA-N 0 1 383.536 3.630 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000172937393 864143641 /nfs/dbraw/zinc/14/36/41/864143641.db2.gz TXFZOFNRXLAUCS-UHFFFAOYSA-N 0 1 386.536 3.583 20 10 GHCDMN CCOc1ccc(NC(=O)CNCc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000793044413 881890663 /nfs/dbraw/zinc/89/06/63/881890663.db2.gz QYTAJYOOLLNXHM-UHFFFAOYSA-N 0 1 395.425 3.898 20 10 GHCDMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153087268 881946021 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Cc1nnc(SCCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[nH]1 ZINC000174669501 869765815 /nfs/dbraw/zinc/76/58/15/869765815.db2.gz QPAPWFLWENEQQT-UHFFFAOYSA-N 0 1 387.553 3.681 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000775523769 870314105 /nfs/dbraw/zinc/31/41/05/870314105.db2.gz MFLVTEGGGDMKRX-HOTGVXAUSA-N 0 1 380.282 3.938 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525577 870380144 /nfs/dbraw/zinc/38/01/44/870380144.db2.gz XADZRYYCQSAWNY-OALUTQOASA-N 0 1 388.895 3.896 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775555422 870800440 /nfs/dbraw/zinc/80/04/40/870800440.db2.gz MQVDJLOYWUOCJM-QGZVFWFLSA-N 0 1 379.863 3.657 20 10 GHCDMN COc1cc(N2CCN(CCCSC(C)(C)C)CC2)cc(OC)c1OC ZINC001193188466 870960829 /nfs/dbraw/zinc/96/08/29/870960829.db2.gz LOFSZQXAOPRJBV-UHFFFAOYSA-N 0 1 382.570 3.756 20 10 GHCDMN CC(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1C(F)(F)F ZINC001193612945 871188966 /nfs/dbraw/zinc/18/89/66/871188966.db2.gz UXENJERIBFERJQ-UHFFFAOYSA-N 0 1 388.729 3.981 20 10 GHCDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001193689856 871238589 /nfs/dbraw/zinc/23/85/89/871238589.db2.gz JVKPSMGFIQEGDT-MRVPVSSYSA-N 0 1 391.232 3.647 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@]2(C)CC2(F)F)C1 ZINC000618634383 871786535 /nfs/dbraw/zinc/78/65/35/871786535.db2.gz CBUSXNFUMAGUNF-OAQYLSRUSA-N 0 1 389.490 3.959 20 10 GHCDMN COCCCNC(=O)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000921047813 882548943 /nfs/dbraw/zinc/54/89/43/882548943.db2.gz RUYGPZHIFXJZRT-UHFFFAOYSA-N 0 1 378.557 3.572 20 10 GHCDMN CCOc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC001169786920 871882039 /nfs/dbraw/zinc/88/20/39/871882039.db2.gz CHHAVRFIGRNOKH-JOCHJYFZSA-N 0 1 393.531 3.512 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000182495070 872434236 /nfs/dbraw/zinc/43/42/36/872434236.db2.gz CHJSMFIHYHRZLW-FQEVSTJZSA-N 0 1 378.488 3.995 20 10 GHCDMN C[C@H]1OCCN(Cc2cc(Br)cc(Br)c2O)[C@@H]1C ZINC000775699262 872954075 /nfs/dbraw/zinc/95/40/75/872954075.db2.gz BYDLZYVOBUHFKC-RKDXNWHRSA-N 0 1 379.092 3.526 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCc2cccnc21 ZINC000768080057 873053115 /nfs/dbraw/zinc/05/31/15/873053115.db2.gz MFLXNMQSTSVACM-RTBURBONSA-N 0 1 399.922 3.641 20 10 GHCDMN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)o1 ZINC000527589189 873326892 /nfs/dbraw/zinc/32/68/92/873326892.db2.gz YHTQUUHJPKPREI-UHFFFAOYSA-N 0 1 376.884 3.958 20 10 GHCDMN Fc1cc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1N1CCOCC1 ZINC000858015448 882725282 /nfs/dbraw/zinc/72/52/82/882725282.db2.gz VRBAOYRZXUJGNQ-HXUWFJFHSA-N 0 1 397.494 3.588 20 10 GHCDMN CN1C[C@H]2CCCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@H]2C1 ZINC001197176306 873639085 /nfs/dbraw/zinc/63/90/85/873639085.db2.gz QMMMAFZPMMKHSI-HYGGAKBASA-N 0 1 384.505 3.817 20 10 GHCDMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768919883 873689160 /nfs/dbraw/zinc/68/91/60/873689160.db2.gz ZEMLQBYPJQGLLZ-QFIPXVFZSA-N 0 1 376.504 3.747 20 10 GHCDMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768919883 873689166 /nfs/dbraw/zinc/68/91/66/873689166.db2.gz ZEMLQBYPJQGLLZ-QFIPXVFZSA-N 0 1 376.504 3.747 20 10 GHCDMN CN1CCN(c2cccc(NC(=S)Nc3c(F)c(F)cc(F)c3F)c2)CC1 ZINC001197394061 873765035 /nfs/dbraw/zinc/76/50/35/873765035.db2.gz SMZHJOIYLUJXOR-UHFFFAOYSA-N 0 1 398.429 3.804 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209454 873892238 /nfs/dbraw/zinc/89/22/38/873892238.db2.gz MBHLECNHHUJMKZ-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209454 873892257 /nfs/dbraw/zinc/89/22/57/873892257.db2.gz MBHLECNHHUJMKZ-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000769380364 874008800 /nfs/dbraw/zinc/00/88/00/874008800.db2.gz UZCJISFWGISUEM-QGZVFWFLSA-N 0 1 392.293 3.761 20 10 GHCDMN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2s1 ZINC001197953713 874139210 /nfs/dbraw/zinc/13/92/10/874139210.db2.gz DHCJWSZURDIRKR-UHFFFAOYSA-N 0 1 395.532 3.678 20 10 GHCDMN Cc1noc(C)c1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664784 874222573 /nfs/dbraw/zinc/22/25/73/874222573.db2.gz JFIVPJAFPGSDKR-UHFFFAOYSA-N 0 1 381.476 3.756 20 10 GHCDMN COc1cccc(O)c1CN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000770311571 874591321 /nfs/dbraw/zinc/59/13/21/874591321.db2.gz FYERWMKQBCBNNE-INIZCTEOSA-N 0 1 380.444 3.541 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000770390324 874643647 /nfs/dbraw/zinc/64/36/47/874643647.db2.gz XYCZGFXCGBTVME-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN CN(C)c1c(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc(F)c1F ZINC000858107007 882852521 /nfs/dbraw/zinc/85/25/21/882852521.db2.gz XMNKNXQEBVKBFM-UHFFFAOYSA-N 0 1 389.490 3.529 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(CC3CCC3)C(C)C)cc2F)CC1 ZINC000770536480 874751043 /nfs/dbraw/zinc/75/10/43/874751043.db2.gz NXOBVUCDPTVWDJ-UHFFFAOYSA-N 0 1 390.547 3.688 20 10 GHCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Br)c(OC)c1OC ZINC000858122456 882862613 /nfs/dbraw/zinc/86/26/13/882862613.db2.gz OCCIQBOUKOWZBT-UHFFFAOYSA-N 0 1 396.281 3.513 20 10 GHCDMN CN(C)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000771065471 875018417 /nfs/dbraw/zinc/01/84/17/875018417.db2.gz NFPCAABCFHYLDT-SFHVURJKSA-N 0 1 387.911 3.506 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)c(O[C@@H]2CCOC2)c1 ZINC000858150271 882887523 /nfs/dbraw/zinc/88/75/23/882887523.db2.gz QDNIKPRVQIBXGD-OAHLLOKOSA-N 0 1 392.293 3.921 20 10 GHCDMN Cc1ccc(CNCc2c(O)cccc2Br)c(O[C@@H]2CCOC2)c1 ZINC000858150271 882887536 /nfs/dbraw/zinc/88/75/36/882887536.db2.gz QDNIKPRVQIBXGD-OAHLLOKOSA-N 0 1 392.293 3.921 20 10 GHCDMN C[C@](O)(C1CCN(Cc2ccc(Br)cc2O)CC1)C(F)(F)F ZINC000825529786 875033369 /nfs/dbraw/zinc/03/33/69/875033369.db2.gz GTIAUYPIUQUADE-AWEZNQCLSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCCNC2=O)cc1 ZINC000858167024 882905068 /nfs/dbraw/zinc/90/50/68/882905068.db2.gz IMTJWFLWIMOGQE-AWEZNQCLSA-N 0 1 388.462 3.801 20 10 GHCDMN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000850484490 876958822 /nfs/dbraw/zinc/95/88/22/876958822.db2.gz JUAVKOCGPAMUMD-GFCCVEGCSA-N 0 1 377.282 3.642 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3cnc[nH]3)cc2Cl)C1 ZINC000852308856 878225639 /nfs/dbraw/zinc/22/56/39/878225639.db2.gz PZDJNGHQMALPKV-AWEZNQCLSA-N 0 1 375.904 3.641 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])Cc1ccccc1O ZINC000069009911 879409018 /nfs/dbraw/zinc/40/90/18/879409018.db2.gz JWGKBHCEICJWRH-UHFFFAOYSA-N 0 1 387.436 3.550 20 10 GHCDMN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000790070043 879413735 /nfs/dbraw/zinc/41/37/35/879413735.db2.gz YXMLSCXZHJZVOA-UHFFFAOYSA-N 0 1 384.338 3.881 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180897850 879464778 /nfs/dbraw/zinc/46/47/78/879464778.db2.gz ZDIKIGBVCVJDSQ-SFHVURJKSA-N 0 1 388.515 3.782 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000790409023 879685658 /nfs/dbraw/zinc/68/56/58/879685658.db2.gz KQXYAKBTHBZPMF-SNVBAGLBSA-N 0 1 383.853 3.569 20 10 GHCDMN CO[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1(C)C ZINC000452871772 880137960 /nfs/dbraw/zinc/13/79/60/880137960.db2.gz SJAGIJVRGWIUME-JOCHJYFZSA-N 0 1 397.563 3.681 20 10 GHCDMN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc2cn[nH]c21 ZINC000791247419 880282704 /nfs/dbraw/zinc/28/27/04/880282704.db2.gz YJFKQNDNLQYCLX-UHFFFAOYSA-N 0 1 394.475 3.565 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3ccc(Br)cc3n2C)c1 ZINC000776800412 880366909 /nfs/dbraw/zinc/36/69/09/880366909.db2.gz ZGJFQXCJHSJWJF-LLVKDONJSA-N 0 1 390.281 3.901 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cc(Br)ccc1[O-] ZINC000858540047 883184804 /nfs/dbraw/zinc/18/48/04/883184804.db2.gz UFFGDUIBMODLRH-CQSZACIVSA-N 0 1 391.265 3.841 20 10 GHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2 ZINC000804889747 883455237 /nfs/dbraw/zinc/45/52/37/883455237.db2.gz RGLHMQCRQHQNHE-VIFPVBQESA-N 0 1 383.231 3.988 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(Cl)n1 ZINC000805134742 883615237 /nfs/dbraw/zinc/61/52/37/883615237.db2.gz HUFJIAIAKHHNSI-UHFFFAOYSA-N 0 1 381.668 3.534 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cnc(C4CCC4)s3)SC2=S)CC1 ZINC000760216677 883651142 /nfs/dbraw/zinc/65/11/42/883651142.db2.gz SXLYVMPAHMRGFY-ZROIWOOFSA-N 0 1 379.576 3.706 20 10 GHCDMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805172242 883655137 /nfs/dbraw/zinc/65/51/37/883655137.db2.gz LEOJFVMFCKCOHE-ZBEGNZNMSA-N 0 1 375.296 3.949 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677403 912777495 /nfs/dbraw/zinc/77/74/95/912777495.db2.gz DFAFIOONYJLMAY-CABCVRRESA-N 0 1 387.476 3.560 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677403 912777506 /nfs/dbraw/zinc/77/75/06/912777506.db2.gz DFAFIOONYJLMAY-CABCVRRESA-N 0 1 387.476 3.560 20 10 GHCDMN COC(=O)[C@@H](Cc1cc2ccccc2o1)NCc1cc(Cl)c(F)cc1O ZINC001183779493 912793800 /nfs/dbraw/zinc/79/38/00/912793800.db2.gz NSUJIVFHIUVYGU-MRXNPFEDSA-N 0 1 377.799 3.805 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC001275242283 912803582 /nfs/dbraw/zinc/80/35/82/912803582.db2.gz TXQSOBBJFHSLQK-IAGOWNOFSA-N 0 1 393.325 3.686 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1[O-] ZINC001275242283 912803607 /nfs/dbraw/zinc/80/36/07/912803607.db2.gz TXQSOBBJFHSLQK-IAGOWNOFSA-N 0 1 393.325 3.686 20 10 GHCDMN CCCCN1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC001275242300 912803768 /nfs/dbraw/zinc/80/37/68/912803768.db2.gz UCRWOVQNWMAHIL-UHFFFAOYSA-N 0 1 395.341 3.769 20 10 GHCDMN Nc1ccc(CCNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000841959492 884337132 /nfs/dbraw/zinc/33/71/32/884337132.db2.gz XZLPBAVZRLTRBA-SFHVURJKSA-N 0 1 383.883 3.888 20 10 GHCDMN COc1cccc([C@H](O)C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)c1 ZINC000860142550 884363791 /nfs/dbraw/zinc/36/37/91/884363791.db2.gz QXESTYDPFDIXCT-OAQYLSRUSA-N 0 1 387.451 3.688 20 10 GHCDMN COc1ccc(NC(C)=O)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806163293 884420978 /nfs/dbraw/zinc/42/09/78/884420978.db2.gz DFRMTPWAQPUHFC-UHFFFAOYSA-N 0 1 398.246 3.988 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](CC(C)C)CC(C)(C)C)c1 ZINC000761831681 884713353 /nfs/dbraw/zinc/71/33/53/884713353.db2.gz MOGMRWLQIVFIRL-UHFFFAOYSA-N 0 1 390.568 3.931 20 10 GHCDMN Cn1cc([C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(F)(F)F)cn1 ZINC000806466093 884734229 /nfs/dbraw/zinc/73/42/29/884734229.db2.gz OKLUZSUHCVNZPS-GFCCVEGCSA-N 0 1 397.184 3.535 20 10 GHCDMN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000795850322 912907940 /nfs/dbraw/zinc/90/79/40/912907940.db2.gz YBCMZQVHFRCAKI-BLLLJJGKSA-N 0 1 377.282 3.683 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1Cc2ccccc2C1 ZINC000762098953 885378366 /nfs/dbraw/zinc/37/83/66/885378366.db2.gz MHPRUCJHEWPDSS-HXUWFJFHSA-N 0 1 384.907 3.541 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(F)ccc1Cl ZINC000807511697 885496506 /nfs/dbraw/zinc/49/65/06/885496506.db2.gz SNIQYPSVNPDBKA-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807512879 885498517 /nfs/dbraw/zinc/49/85/17/885498517.db2.gz NFEFZPJBDUGLOJ-JTQLQIEISA-N 0 1 397.258 3.661 20 10 GHCDMN CCn1ncc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c(C)nc21 ZINC000807840255 885771264 /nfs/dbraw/zinc/77/12/64/885771264.db2.gz VUKFIJLLLYTUPE-UHFFFAOYSA-N 0 1 379.247 3.702 20 10 GHCDMN O=C(CCOCC(F)(F)C(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807837819 885800609 /nfs/dbraw/zinc/80/06/09/885800609.db2.gz CSXFNKOVLVBWIT-UHFFFAOYSA-N 0 1 378.149 3.622 20 10 GHCDMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837810 885800371 /nfs/dbraw/zinc/80/03/71/885800371.db2.gz DMROADWRYUPXMU-LBPRGKRZSA-N 0 1 377.268 3.619 20 10 GHCDMN CC(=O)N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(C)cc1 ZINC000807835978 885800732 /nfs/dbraw/zinc/80/07/32/885800732.db2.gz OHSDDHKWRWJQSB-QGZVFWFLSA-N 0 1 395.286 3.891 20 10 GHCDMN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837481 885802037 /nfs/dbraw/zinc/80/20/37/885802037.db2.gz RMYQZWUQJQLFOE-UHFFFAOYSA-N 0 1 393.274 3.608 20 10 GHCDMN Cc1cc(F)ccc1-n1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000807837371 885802519 /nfs/dbraw/zinc/80/25/19/885802519.db2.gz NJCZSGYGRQCGJW-UHFFFAOYSA-N 0 1 395.221 3.657 20 10 GHCDMN O=C(Cc1ccc(-n2cccn2)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837839 885803932 /nfs/dbraw/zinc/80/39/32/885803932.db2.gz DENHUAXDZVCDOC-UHFFFAOYSA-N 0 1 376.243 3.744 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000807839513 885805997 /nfs/dbraw/zinc/80/59/97/885805997.db2.gz GPKZRYYJGZGLAA-INIZCTEOSA-N 0 1 393.270 3.620 20 10 GHCDMN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000915220237 886039728 /nfs/dbraw/zinc/03/97/28/886039728.db2.gz LGPMESLGXQVORB-UHFFFAOYSA-N 0 1 390.486 3.937 20 10 GHCDMN C[C@@](CO)(NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccc(O)c1 ZINC000862432411 886375304 /nfs/dbraw/zinc/37/53/04/886375304.db2.gz BRPVTBVIBGLWED-VWLOTQADSA-N 0 1 388.511 3.952 20 10 GHCDMN COc1cc(O)c(CN2CC(Cc3ccccc3Br)C2)cc1OC ZINC000862537965 886445623 /nfs/dbraw/zinc/44/56/23/886445623.db2.gz KKIVFTLFKIMFKP-UHFFFAOYSA-N 0 1 392.293 3.846 20 10 GHCDMN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000119071424 886580301 /nfs/dbraw/zinc/58/03/01/886580301.db2.gz FXLGAAKTOYUUPG-INIZCTEOSA-N 0 1 383.540 3.917 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C[C@@H]2CCOC2)C1 ZINC000774734562 913104255 /nfs/dbraw/zinc/10/42/55/913104255.db2.gz MEOXCXZLKYTTCC-ROUUACIJSA-N 0 1 384.520 3.766 20 10 GHCDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000762937841 887178521 /nfs/dbraw/zinc/17/85/21/887178521.db2.gz OPSUIXVLHXPJAO-GOSISDBHSA-N 0 1 395.547 3.945 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000863531821 887196225 /nfs/dbraw/zinc/19/62/25/887196225.db2.gz FQXNXBDAGAJRIJ-OXQOHEQNSA-N 0 1 382.504 3.936 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)c1C ZINC000809687668 887704418 /nfs/dbraw/zinc/70/44/18/887704418.db2.gz NEAQGBYXKSWFPI-UHFFFAOYSA-N 0 1 377.872 3.564 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000809713631 887731953 /nfs/dbraw/zinc/73/19/53/887731953.db2.gz VSOVSHOPNBJQFD-UHFFFAOYSA-N 0 1 376.229 3.974 20 10 GHCDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(Br)ccc1O ZINC000809712561 887732288 /nfs/dbraw/zinc/73/22/88/887732288.db2.gz ACPJGUJZCVBKII-UHFFFAOYSA-N 0 1 381.226 3.751 20 10 GHCDMN CCc1noc(C2CCC([NH2+]Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000809712722 887733788 /nfs/dbraw/zinc/73/37/88/887733788.db2.gz UMBASYNAPYCLOM-UHFFFAOYSA-N 0 1 380.286 3.916 20 10 GHCDMN CC(=O)N(c1nc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cs1)C1CC1 ZINC000809775538 887765253 /nfs/dbraw/zinc/76/52/53/887765253.db2.gz DADLHKZYEPWMGP-UHFFFAOYSA-N 0 1 386.304 3.961 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209264 888321383 /nfs/dbraw/zinc/32/13/83/888321383.db2.gz ATCHYSASHAKAQL-QGZVFWFLSA-N 0 1 395.425 3.884 20 10 GHCDMN COc1cccc([C@H](C)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)c1O ZINC000866462495 888893020 /nfs/dbraw/zinc/89/30/20/888893020.db2.gz PEZYTECLWFIRDO-JTQLQIEISA-N 0 1 386.345 3.892 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000777275282 889620226 /nfs/dbraw/zinc/62/02/26/889620226.db2.gz PHZUMTALMGEVMT-FYCOFBDGSA-N 0 1 391.924 3.605 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000777275282 889620234 /nfs/dbraw/zinc/62/02/34/889620234.db2.gz PHZUMTALMGEVMT-FYCOFBDGSA-N 0 1 391.924 3.605 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000777275282 889620237 /nfs/dbraw/zinc/62/02/37/889620237.db2.gz PHZUMTALMGEVMT-FYCOFBDGSA-N 0 1 391.924 3.605 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000811528228 889681902 /nfs/dbraw/zinc/68/19/02/889681902.db2.gz AZTGZFYAQUUJQP-DZGCQCFKSA-N 0 1 380.227 3.620 20 10 GHCDMN Cc1c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c2ccccc2n1C ZINC000811703626 889876432 /nfs/dbraw/zinc/87/64/32/889876432.db2.gz XMWLOTNQBCBDBY-UHFFFAOYSA-N 0 1 388.489 3.918 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099954 890244296 /nfs/dbraw/zinc/24/42/96/890244296.db2.gz NFAKGNDTBJKYKN-KSSFIOAISA-N 0 1 392.471 3.565 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099954 890244316 /nfs/dbraw/zinc/24/43/16/890244316.db2.gz NFAKGNDTBJKYKN-KSSFIOAISA-N 0 1 392.471 3.565 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nccc4sccc43)CC2)cc1 ZINC000917017743 890749350 /nfs/dbraw/zinc/74/93/50/890749350.db2.gz XIKHUVUYXYEHRL-UHFFFAOYSA-N 0 1 382.533 3.929 20 10 GHCDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000874043247 891965200 /nfs/dbraw/zinc/96/52/00/891965200.db2.gz RXAIRMRFUFWXIB-QFIPXVFZSA-N 0 1 377.525 3.910 20 10 GHCDMN Oc1cc2c(cc1CN1CCN(c3ncc(Cl)cc3Cl)CC1)CCC2 ZINC000917473350 892029109 /nfs/dbraw/zinc/02/91/09/892029109.db2.gz LTMZQIWLWYSBIR-UHFFFAOYSA-N 0 1 378.303 3.905 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000814179358 892345337 /nfs/dbraw/zinc/34/53/37/892345337.db2.gz SENKAXRKSMGEJW-UHFFFAOYSA-N 0 1 397.903 3.654 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3c2ncn3C2CC2)C1 ZINC000814256839 892435707 /nfs/dbraw/zinc/43/57/07/892435707.db2.gz OSYWRRCCXWBYMF-HNNXBMFYSA-N 0 1 398.898 3.597 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncnc3c2ncn3C2CC2)C1 ZINC000814256839 892435718 /nfs/dbraw/zinc/43/57/18/892435718.db2.gz OSYWRRCCXWBYMF-HNNXBMFYSA-N 0 1 398.898 3.597 20 10 GHCDMN Cc1ccc([C@H](NCc2cc(Cl)c(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000825762750 892447764 /nfs/dbraw/zinc/44/77/64/892447764.db2.gz RRCQGBBFEDPBST-AUUYWEPGSA-N 0 1 381.925 3.926 20 10 GHCDMN C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000815045161 893361333 /nfs/dbraw/zinc/36/13/33/893361333.db2.gz PBBYXKOZLXKOFV-NSHDSACASA-N 0 1 396.336 3.714 20 10 GHCDMN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815070582 893415305 /nfs/dbraw/zinc/41/53/05/893415305.db2.gz ZWUOFTNBYBYTDM-NRFANRHFSA-N 0 1 381.520 3.981 20 10 GHCDMN C[C@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)c(F)cc1O ZINC000815657583 894071986 /nfs/dbraw/zinc/07/19/86/894071986.db2.gz CHAHTAGIUPYOBV-NSHDSACASA-N 0 1 391.244 3.725 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879023595 894789170 /nfs/dbraw/zinc/78/91/70/894789170.db2.gz FZDUOSONTMDRSG-GTNSWQLSSA-N 0 1 392.297 3.592 20 10 GHCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000774880495 913904192 /nfs/dbraw/zinc/90/41/92/913904192.db2.gz KAWRFIMZIMFRMI-OAHLLOKOSA-N 0 1 391.462 3.663 20 10 GHCDMN COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(Cl)c1 ZINC000816574872 894953171 /nfs/dbraw/zinc/95/31/71/894953171.db2.gz VEMGQBXXBLOADW-INIZCTEOSA-N 0 1 388.222 3.851 20 10 GHCDMN CC[C@@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001185527686 913939717 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PGBNHGOHNHVLFQ-HIFRSBDPSA-N 0 1 384.314 3.781 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CN(C)[C@H]3CCSC3)cc2Cl)C1 ZINC000800048739 898534939 /nfs/dbraw/zinc/53/49/39/898534939.db2.gz BDABGBUOEIJWPL-RDJZCZTQSA-N 0 1 396.000 3.630 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1([C@@H]2CCCCO2)CCOCC1 ZINC000822948788 898747144 /nfs/dbraw/zinc/74/71/44/898747144.db2.gz ATZXCLFOOHRGMJ-HNNXBMFYSA-N 0 1 388.291 3.681 20 10 GHCDMN CCc1nn(C)c(OC)c1CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824073498 899380988 /nfs/dbraw/zinc/38/09/88/899380988.db2.gz KRHDBHXZMOGUOD-UHFFFAOYSA-N 0 1 384.549 3.979 20 10 GHCDMN COc1cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824556526 899686112 /nfs/dbraw/zinc/68/61/12/899686112.db2.gz XDNPEMTYLQFWGC-LJQANCHMSA-N 0 1 386.492 3.572 20 10 GHCDMN O=C(NC1CCN(Cc2ccc(Br)cc2O)CC1)C1CCCCC1 ZINC000824639425 899731976 /nfs/dbraw/zinc/73/19/76/899731976.db2.gz LGBVSZVREBHJHB-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN O=C(NC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1)C1CCCCC1 ZINC000824639425 899731980 /nfs/dbraw/zinc/73/19/80/899731980.db2.gz LGBVSZVREBHJHB-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000844219806 900585990 /nfs/dbraw/zinc/58/59/90/900585990.db2.gz WQYMSUYQIOUGHS-DZFYGRHCSA-N 0 1 396.447 3.609 20 10 GHCDMN CCCC[N@@H+](C)CC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206801 900598761 /nfs/dbraw/zinc/59/87/61/900598761.db2.gz UDNNUUOWUNCWAP-SOFGYWHQSA-N 0 1 375.469 3.641 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886301187 900925745 /nfs/dbraw/zinc/92/57/45/900925745.db2.gz YWPLDABFKMYEBY-MRXNPFEDSA-N 0 1 384.314 3.610 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981765 902490154 /nfs/dbraw/zinc/49/01/54/902490154.db2.gz QQCSKMRUVKKGNP-GXTWGEPZSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981765 902490164 /nfs/dbraw/zinc/49/01/64/902490164.db2.gz QQCSKMRUVKKGNP-GXTWGEPZSA-N 0 1 396.915 3.983 20 10 GHCDMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1cccc(Br)c1 ZINC001147072502 903683312 /nfs/dbraw/zinc/68/33/12/903683312.db2.gz FKBSSEQFKOODFF-UHFFFAOYSA-N 0 1 387.281 3.852 20 10 GHCDMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773045903 904398076 /nfs/dbraw/zinc/39/80/76/904398076.db2.gz KAFYYBZBIPQDET-KBXCAEBGSA-N 0 1 380.941 3.931 20 10 GHCDMN C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000773138347 904471779 /nfs/dbraw/zinc/47/17/79/904471779.db2.gz UMKMKVYRISDMFN-QZTJIDSGSA-N 0 1 380.536 3.560 20 10 GHCDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C=Cc4ccc(O)c(O)c4)C3)[nH]c2c1 ZINC000181248435 906955875 /nfs/dbraw/zinc/95/58/75/906955875.db2.gz YYPTWUNKSLECRV-YXMGTMDOSA-N 0 1 377.444 3.702 20 10 GHCDMN Cc1[nH]nc2cc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)ccc12 ZINC001175662932 907680455 /nfs/dbraw/zinc/68/04/55/907680455.db2.gz KJCCSBRIWKFKCP-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1[O-] ZINC000185054030 907705476 /nfs/dbraw/zinc/70/54/76/907705476.db2.gz ZPJLDKSERBFANE-AWEZNQCLSA-N 0 1 390.325 3.865 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176384870 908062753 /nfs/dbraw/zinc/06/27/53/908062753.db2.gz XGHQWSYXSSYWCM-UHFFFAOYSA-N 0 1 387.483 3.931 20 10 GHCDMN O=[N+]([O-])c1cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)ccc1N1CCCCC1 ZINC000777438686 908177315 /nfs/dbraw/zinc/17/73/15/908177315.db2.gz BCBYXAVTTZXVLB-JOCHJYFZSA-N 0 1 399.466 3.818 20 10 GHCDMN CN1CCN(c2ccc(Nc3ccc(CCc4ccc(N)cc4)cc3)cn2)CC1 ZINC001176655392 908222301 /nfs/dbraw/zinc/22/23/01/908222301.db2.gz HSXRCUXYSOLVLU-UHFFFAOYSA-N 0 1 387.531 3.944 20 10 GHCDMN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H](C(F)(F)F)O1 ZINC001179877590 909800019 /nfs/dbraw/zinc/80/00/19/909800019.db2.gz HTPDSAWKYHFQKP-WRWORJQWSA-N 0 1 388.611 3.960 20 10 GHCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)c2[nH]1 ZINC000801826324 921527546 /nfs/dbraw/zinc/52/75/46/921527546.db2.gz JYXJXHVWTGOMOU-OKILXGFUSA-N 0 1 396.466 3.554 20 10 GHCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Br)cc(Br)c1O ZINC001180523199 910200019 /nfs/dbraw/zinc/20/00/19/910200019.db2.gz QLOFNYNMLNVBEJ-BXKDBHETSA-N 0 1 393.119 3.917 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001181514575 910815200 /nfs/dbraw/zinc/81/52/00/910815200.db2.gz LBJVWRSSDPFNQX-GOSISDBHSA-N 0 1 385.464 3.718 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(C(C)(C)C)nc3)cc2F)C[C@@H](C)O1 ZINC000284470086 911880720 /nfs/dbraw/zinc/88/07/20/911880720.db2.gz VSZMAWREAMQAFH-HZPDHXFCSA-N 0 1 386.515 3.817 20 10 GHCDMN COc1ccc(Cl)c(N2CCN(Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001182726759 912012288 /nfs/dbraw/zinc/01/22/88/912012288.db2.gz YMKFZUBSXWCISJ-UHFFFAOYSA-N 0 1 376.884 3.693 20 10 GHCDMN CN(CCC=C1c2ccccc2CCc2ccccc21)S(=O)(=O)c1ncc[nH]1 ZINC001190715338 917502547 /nfs/dbraw/zinc/50/25/47/917502547.db2.gz UXXMNCVOCHOOFO-UHFFFAOYSA-N 0 1 393.512 3.651 20 10 GHCDMN CCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C ZINC001190975859 917677599 /nfs/dbraw/zinc/67/75/99/917677599.db2.gz NZZOFUUQYFZHON-UHFFFAOYSA-N 0 1 390.288 3.885 20 10 GHCDMN CCN1CCN(c2ccc(CNc3cc(Br)ccn3)cc2F)CC1 ZINC000775473437 918131201 /nfs/dbraw/zinc/13/12/01/918131201.db2.gz VWFOGZIYYCBPHQ-UHFFFAOYSA-N 0 1 393.304 3.737 20 10 GHCDMN CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Br)ccc1[O-] ZINC000775483181 918224424 /nfs/dbraw/zinc/22/44/24/918224424.db2.gz OMZYASMTGSVPJZ-INIZCTEOSA-N 0 1 383.330 3.988 20 10 GHCDMN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775484738 918234199 /nfs/dbraw/zinc/23/41/99/918234199.db2.gz IHXKIZOYZBHCEM-CPUCHLNUSA-N 0 1 385.346 3.695 20 10 GHCDMN CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487328 918256345 /nfs/dbraw/zinc/25/63/45/918256345.db2.gz AOLCVAQWOHINQY-PXAZEXFGSA-N 0 1 382.913 3.756 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCC(F)(F)C1 ZINC000800519722 920240269 /nfs/dbraw/zinc/24/02/69/920240269.db2.gz UQWLIGQIERTTEJ-CZUORRHYSA-N 0 1 386.870 3.952 20 10 GHCDMN Oc1cc2c(cc1CN1CC[C@@](F)(c3cccc(C(F)(F)F)c3)C1)[C@H](O)CO2 ZINC000800861816 920539039 /nfs/dbraw/zinc/53/90/39/920539039.db2.gz GGNXYNYUFMXLMO-MJGOQNOKSA-N 0 1 397.368 3.908 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000802656465 922313921 /nfs/dbraw/zinc/31/39/21/922313921.db2.gz OOEVJUVJLBHEIK-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000802656465 922313932 /nfs/dbraw/zinc/31/39/32/922313932.db2.gz OOEVJUVJLBHEIK-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903055805 922733618 /nfs/dbraw/zinc/73/36/18/922733618.db2.gz CKANBKPZHGWERI-CQSZACIVSA-N 0 1 379.426 3.912 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(CC2CCC2)c1 ZINC000903076207 922751579 /nfs/dbraw/zinc/75/15/79/922751579.db2.gz LLTHKUMGAPOWON-MRXNPFEDSA-N 0 1 386.515 3.634 20 10 GHCDMN CC[C@@H](NCc1nc(CN(C)C)cs1)c1cc(Br)ccc1O ZINC000903223235 922868305 /nfs/dbraw/zinc/86/83/05/922868305.db2.gz YKAKXSWPPRTVNK-CQSZACIVSA-N 0 1 384.343 3.914 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903435807 923026283 /nfs/dbraw/zinc/02/62/83/923026283.db2.gz SHFVYKHFAVQHRX-AAEUAGOBSA-N 0 1 383.279 3.514 20 10 GHCDMN CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276076407 925258299 /nfs/dbraw/zinc/25/82/99/925258299.db2.gz CBYLTKGZRBKKPC-HNNXBMFYSA-N 0 1 395.341 3.529 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(Cl)c1[O-] ZINC001137438467 925789651 /nfs/dbraw/zinc/78/96/51/925789651.db2.gz LKJIDSWAVGRPCF-AWEZNQCLSA-N 0 1 395.286 3.799 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)s1 ZINC000827951408 926375673 /nfs/dbraw/zinc/37/56/73/926375673.db2.gz YNUSCNBGVPINQF-SNVBAGLBSA-N 0 1 384.860 3.807 20 10 GHCDMN O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000751597011 928266771 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Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)c3ncccc3F)c1C2=O ZINC001227994985 1032729724 /nfs/dbraw/zinc/72/97/24/1032729724.db2.gz QESPFPRJPCTKIS-LLVKDONJSA-N 0 1 393.370 3.856 20 10 GHCDMN O=C(NCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)C(F)(F)F ZINC000798956175 1018502990 /nfs/dbraw/zinc/50/29/90/1018502990.db2.gz KNYKVKPVQUGPHV-UHFFFAOYSA-N 0 1 385.213 3.590 20 10 GHCDMN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ncccc1C(F)(F)F ZINC001140282538 1021312123 /nfs/dbraw/zinc/31/21/23/1021312123.db2.gz CVRXRSAYHTZNDP-UHFFFAOYSA-N 0 1 379.426 3.694 20 10 GHCDMN Cc1ccc(Cl)cc1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140282511 1021312462 /nfs/dbraw/zinc/31/24/62/1021312462.db2.gz BTZFFEBNQJPFDO-UHFFFAOYSA-N 0 1 399.966 3.932 20 10 GHCDMN COc1ccc([C@@H]2CSCCN2Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001140286198 1021317665 /nfs/dbraw/zinc/31/76/65/1021317665.db2.gz ZNDVVNJENWDPOP-QHCPKHFHSA-N 0 1 398.572 3.946 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)ccc1[O-] ZINC000834899464 1021646023 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CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373211 1024762471 /nfs/dbraw/zinc/76/24/71/1024762471.db2.gz RWRNXYODEAFEJL-SNVBAGLBSA-N 0 1 390.705 3.972 20 10 GHCDMN Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001141377514 1024774954 /nfs/dbraw/zinc/77/49/54/1024774954.db2.gz RDMFTEFXAMUCRH-CYBMUJFWSA-N 0 1 398.688 3.560 20 10 GHCDMN CON1CCC(N(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000839130891 1025624968 /nfs/dbraw/zinc/62/49/68/1025624968.db2.gz DDBNMRQNKGOPRW-UHFFFAOYSA-N 0 1 381.480 3.998 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839137295 1025633313 /nfs/dbraw/zinc/63/33/13/1025633313.db2.gz DDGWXMHNLZYXNI-UHFFFAOYSA-N 0 1 391.103 3.530 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cnc4ccc(C)cc4n3)CC2)cc1 ZINC001164327240 1026487186 /nfs/dbraw/zinc/48/71/86/1026487186.db2.gz FZZAKBDTCWMPSU-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4onc(C)c4c3)CC2)cc1 ZINC001164334094 1026489624 /nfs/dbraw/zinc/48/96/24/1026489624.db2.gz MHLYSJNMIDEEFS-UHFFFAOYSA-N 0 1 380.492 3.769 20 10 GHCDMN CCn1ncc2c1CN(Cc1ccc(N(C)C)c(C)c1)C[C@@H]2COCC1CC1 ZINC001139670056 1026525250 /nfs/dbraw/zinc/52/52/50/1026525250.db2.gz FWECBWXGCVWPBJ-HXUWFJFHSA-N 0 1 382.552 3.803 20 10 GHCDMN COC[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001139681589 1026536335 /nfs/dbraw/zinc/53/63/35/1026536335.db2.gz UICUMEQKARQMBY-INIZCTEOSA-N 0 1 391.462 3.803 20 10 GHCDMN COC[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001139681589 1026536344 /nfs/dbraw/zinc/53/63/44/1026536344.db2.gz UICUMEQKARQMBY-INIZCTEOSA-N 0 1 391.462 3.803 20 10 GHCDMN CC(C)(C)CC(=O)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC001140101892 1026881065 /nfs/dbraw/zinc/88/10/65/1026881065.db2.gz CVVQWYLMWYGEET-UHFFFAOYSA-N 0 1 383.330 3.672 20 10 GHCDMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1ccccc1Br ZINC001166401664 1026994424 /nfs/dbraw/zinc/99/44/24/1026994424.db2.gz FQQRVBRWAVAMNJ-UHFFFAOYSA-N 0 1 387.281 3.852 20 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386.584 3.843 20 10 GHCDMN CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313212603 1052986349 /nfs/dbraw/zinc/98/63/49/1052986349.db2.gz YCPURABMYRZCJT-HXUWFJFHSA-N 0 1 398.576 3.719 20 10 GHCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702748 1055410136 /nfs/dbraw/zinc/41/01/36/1055410136.db2.gz SHLZYNBGCVVLGN-HSZRJFAPSA-N 0 1 383.511 3.541 20 10 GHCDMN Cc1ccc(C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c(O)c1O ZINC001300670938 1056819759 /nfs/dbraw/zinc/81/97/59/1056819759.db2.gz VOBATPWZSDOSIY-UHFFFAOYSA-N 0 1 379.338 3.574 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]3C)c2c1 ZINC000848502351 1057135841 /nfs/dbraw/zinc/13/58/41/1057135841.db2.gz REGWRDRYNMTZSM-SJKOYZFVSA-N 0 1 396.409 3.585 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000848557486 1057176245 /nfs/dbraw/zinc/17/62/45/1057176245.db2.gz FBJGVHRKOCFNNS-ZBEGNZNMSA-N 0 1 375.266 3.759 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(Br)cc1[O-] ZINC000848557933 1057177931 /nfs/dbraw/zinc/17/79/31/1057177931.db2.gz IHWHNPJMKVLXCF-BZNIZROVSA-N 0 1 375.266 3.759 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000848563617 1057181825 /nfs/dbraw/zinc/18/18/25/1057181825.db2.gz WZOYZNDBMSYMJO-SFHVURJKSA-N 0 1 383.521 3.644 20 10 GHCDMN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000848573657 1057188916 /nfs/dbraw/zinc/18/89/16/1057188916.db2.gz XYVRMDVQDYMPKK-GFCCVEGCSA-N 0 1 378.266 3.721 20 10 GHCDMN CCOc1ccc(N2CCN(CCC(=O)Nc3ccccc3OCC)CC2)cc1 ZINC001325221976 1057293118 /nfs/dbraw/zinc/29/31/18/1057293118.db2.gz JRIRYVPFCDBHCG-UHFFFAOYSA-N 0 1 397.519 3.635 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC001325357249 1057317781 /nfs/dbraw/zinc/31/77/81/1057317781.db2.gz RACUEULMVJGRRS-LZQZEXGQSA-N 0 1 379.504 3.811 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001440685465 1058586422 /nfs/dbraw/zinc/58/64/22/1058586422.db2.gz TZQIWYMGFHBZNY-UHFFFAOYSA-N 0 1 389.503 3.658 20 10 GHCDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001454401215 1061755257 /nfs/dbraw/zinc/75/52/57/1061755257.db2.gz HRMUVOLFCDRODK-RHSMWYFYSA-N 0 1 396.512 3.953 20 10 GHCDMN CN1CCN(c2ccccc2NCc2c(O)cccc2Br)CC1 ZINC001348089529 1062913634 /nfs/dbraw/zinc/91/36/34/1062913634.db2.gz MINHFOGDOWVJMW-UHFFFAOYSA-N 0 1 376.298 3.519 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001458070949 1063542996 /nfs/dbraw/zinc/54/29/96/1063542996.db2.gz NCLHZOINXPWWLA-UHFFFAOYSA-N 0 1 384.480 3.536 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1C ZINC001465093549 1065388916 /nfs/dbraw/zinc/38/89/16/1065388916.db2.gz WYYXCBXCUABSOP-UHFFFAOYSA-N 0 1 379.504 3.525 20 10 GHCDMN CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001465383801 1065578023 /nfs/dbraw/zinc/57/80/23/1065578023.db2.gz ATZZLASLOBYJCD-GOSISDBHSA-N 0 1 396.535 3.937 20 10 GHCDMN CCCc1ccccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001353706685 1066154521 /nfs/dbraw/zinc/15/45/21/1066154521.db2.gz JNPFEFYGDRGKRR-UHFFFAOYSA-N 0 1 395.547 3.590 20 10 GHCDMN Cc1cc(O)c(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1Cl ZINC000849174642 1067753489 /nfs/dbraw/zinc/75/34/89/1067753489.db2.gz SKBFQWMMIBRIQI-DHDCSXOGSA-N 0 1 382.938 3.649 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC(CC)(CC)C3)cc2F)CC1 ZINC001468642056 1067802259 /nfs/dbraw/zinc/80/22/59/1067802259.db2.gz PWEZTDLRAMLRES-UHFFFAOYSA-N 0 1 390.547 3.689 20 10 GHCDMN Cc1cc(CCNC(=O)NCc2ccc3cncn3c2)c(C)n1-c1ccccc1 ZINC001470969330 1072857022 /nfs/dbraw/zinc/85/70/22/1072857022.db2.gz UGYFXVCRVWPTOS-UHFFFAOYSA-N 0 1 387.487 3.784 20 10 GHCDMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1N1CCOCC1=O ZINC001474285203 1074325486 /nfs/dbraw/zinc/32/54/86/1074325486.db2.gz UVEZWRUDVKKBGX-UHFFFAOYSA-N 0 1 381.259 3.983 20 10 GHCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)c1cc2ccccc2o1 ZINC001474331537 1074346651 /nfs/dbraw/zinc/34/66/51/1074346651.db2.gz USWOWWRQAHDZSU-OAHLLOKOSA-N 0 1 386.398 3.811 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)c1cc2ccccc2o1 ZINC001474331537 1074346654 /nfs/dbraw/zinc/34/66/54/1074346654.db2.gz USWOWWRQAHDZSU-OAHLLOKOSA-N 0 1 386.398 3.811 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC001474725358 1074535304 /nfs/dbraw/zinc/53/53/04/1074535304.db2.gz IQXRMZQUEFPSCT-UHFFFAOYSA-N 0 1 376.250 3.705 20 10 GHCDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1O ZINC001475585804 1074920705 /nfs/dbraw/zinc/92/07/05/1074920705.db2.gz JVKPSMGFIQEGDT-QMMMGPOBSA-N 0 1 391.232 3.647 20 10 GHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000825418166 609334722 /nfs/dbraw/zinc/33/47/22/609334722.db2.gz XWQVCKSIDZUESH-ZDUSSCGKSA-N 0 1 386.450 3.842 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccccn2)C1 ZINC000683463201 837398254 /nfs/dbraw/zinc/39/82/54/837398254.db2.gz TUABIKJACZWDJG-QGZVFWFLSA-N 0 1 376.504 3.680 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000052466945 834761377 /nfs/dbraw/zinc/76/13/77/834761377.db2.gz GBQPGCSYQMSVGJ-LJQANCHMSA-N 0 1 381.520 3.851 20 10 GHCDMN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccccc4O)CC3)n2)cc1 ZINC000179559466 835873350 /nfs/dbraw/zinc/87/33/50/835873350.db2.gz KHJJNMREPUAMPC-KRWDZBQOSA-N 0 1 378.476 3.629 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3cnncc32)C1 ZINC000683453212 837378412 /nfs/dbraw/zinc/37/84/12/837378412.db2.gz HCDLOLBZWAULHV-UHFFFAOYSA-N 0 1 399.498 3.990 20 10 GHCDMN CCCOc1c(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000728699752 839454469 /nfs/dbraw/zinc/45/44/69/839454469.db2.gz VYFGCBDRRYSHBT-XNTDXEJSSA-N 0 1 386.835 3.599 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(Cl)ccc3/C=C/[N+](=O)[O-])cc2)CC1 ZINC001167434756 840187244 /nfs/dbraw/zinc/18/72/44/840187244.db2.gz WDDVYUCLYMESBD-CMDGGOBGSA-N 0 1 386.883 3.951 20 10 GHCDMN Cc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1OC(F)F ZINC000588393870 840437736 /nfs/dbraw/zinc/43/77/36/840437736.db2.gz UHNIETPHKBLCBF-UVTDQMKNSA-N 0 1 398.500 3.892 20 10 GHCDMN COC1CCC(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000123251287 841703922 /nfs/dbraw/zinc/70/39/22/841703922.db2.gz DYUPDDDIBAPEHX-ZCDLSOSASA-N 0 1 394.943 3.722 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccco1 ZINC000471776366 842474084 /nfs/dbraw/zinc/47/40/84/842474084.db2.gz XCHMZLIDQSFPFK-HXUWFJFHSA-N 0 1 382.508 3.962 20 10 GHCDMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067003783 842825890 /nfs/dbraw/zinc/82/58/90/842825890.db2.gz UIBIOGMRZKCKAV-UHFFFAOYSA-N 0 1 383.540 3.919 20 10 GHCDMN CN(C)C(=O)c1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000279817262 843397892 /nfs/dbraw/zinc/39/78/92/843397892.db2.gz GEBZCRIPVLIMMF-UHFFFAOYSA-N 0 1 379.426 3.763 20 10 GHCDMN CCN(CC)[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000729286007 844825902 /nfs/dbraw/zinc/82/59/02/844825902.db2.gz WTZSMWCHQGNYIF-QFIPXVFZSA-N 0 1 397.588 3.939 20 10 GHCDMN COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000760015130 845601153 /nfs/dbraw/zinc/60/11/53/845601153.db2.gz IQKCJKRXAYUOQX-INIZCTEOSA-N 0 1 399.512 3.816 20 10 GHCDMN COCC1(CCNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC000501943997 847334589 /nfs/dbraw/zinc/33/45/89/847334589.db2.gz HIGMFVPEDXHCPP-UHFFFAOYSA-N 0 1 397.563 3.731 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc2ccccc2c1[O-] ZINC000273496448 847356510 /nfs/dbraw/zinc/35/65/10/847356510.db2.gz XVNKMXHCRXGCAH-KKSFZXQISA-N 0 1 375.472 3.782 20 10 GHCDMN Oc1ccc2ccncc2c1C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000905701458 856477899 /nfs/dbraw/zinc/47/78/99/856477899.db2.gz ZZUIZFQNCUBLGB-UHFFFAOYSA-N 0 1 376.456 3.884 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000905701458 856477908 /nfs/dbraw/zinc/47/79/08/856477908.db2.gz ZZUIZFQNCUBLGB-UHFFFAOYSA-N 0 1 376.456 3.884 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000905701458 856477918 /nfs/dbraw/zinc/47/79/18/856477918.db2.gz ZZUIZFQNCUBLGB-UHFFFAOYSA-N 0 1 376.456 3.884 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000733326032 862868142 /nfs/dbraw/zinc/86/81/42/862868142.db2.gz DTSCDGZOONCKKQ-SFHVURJKSA-N 0 1 381.303 3.862 20 10 GHCDMN Cc1cc(NC(=O)C[NH2+]Cc2c([O-])cccc2Cl)ccc1Br ZINC000733328087 862868815 /nfs/dbraw/zinc/86/88/15/862868815.db2.gz MXVJXLKNHSUZHY-UHFFFAOYSA-N 0 1 383.673 3.845 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC2(F)F)C1 ZINC000672497055 857407459 /nfs/dbraw/zinc/40/74/59/857407459.db2.gz YMMZHGQZLRZEBZ-IBGZPJMESA-N 0 1 375.463 3.712 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706822209 857927362 /nfs/dbraw/zinc/92/73/62/857927362.db2.gz ZEKOJPSASDFJFM-CHWSQXEVSA-N 0 1 399.329 3.938 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000761199498 859064318 /nfs/dbraw/zinc/06/43/18/859064318.db2.gz PEEJBGVLTALJIR-IUODEOHRSA-N 0 1 384.904 3.789 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000764463496 859458884 /nfs/dbraw/zinc/45/88/84/859458884.db2.gz FUEDBZOIWKBEEY-UGKGYDQZSA-N 0 1 393.531 3.576 20 10 GHCDMN COC1(OC)CC2(C[N@@H+](Cc3cccc(Br)c3[O-])[C@H]2C(C)C)C1 ZINC000895996373 860208453 /nfs/dbraw/zinc/20/84/53/860208453.db2.gz PXHOPAXMJZPLJP-INIZCTEOSA-N 0 1 384.314 3.764 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)ccc21 ZINC000484750028 860320433 /nfs/dbraw/zinc/32/04/33/860320433.db2.gz AYYKHVWONWMMAL-OAQYLSRUSA-N 0 1 399.560 3.999 20 10 GHCDMN CCN1CCN(c2ccc(CNc3nc4ccccc4nc3C)cc2F)CC1 ZINC000730108977 860874719 /nfs/dbraw/zinc/87/47/19/860874719.db2.gz XQYIIYPULSENHR-UHFFFAOYSA-N 0 1 379.483 3.831 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C3(c4ccccc4C)CC3)cc2F)CC1 ZINC000730192944 860935094 /nfs/dbraw/zinc/93/50/94/860935094.db2.gz SGQAFVZMQQVMOJ-UHFFFAOYSA-N 0 1 395.522 3.624 20 10 GHCDMN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2ccccc2C1 ZINC000736069093 865122452 /nfs/dbraw/zinc/12/24/52/865122452.db2.gz LZGWTASIFISWLK-GOSISDBHSA-N 0 1 377.532 3.690 20 10 GHCDMN CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000738299436 865523785 /nfs/dbraw/zinc/52/37/85/865523785.db2.gz PKYDOHNINYNAGS-QGZVFWFLSA-N 0 1 385.474 3.766 20 10 GHCDMN CN(C)c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000793073124 881909530 /nfs/dbraw/zinc/90/95/30/881909530.db2.gz HQOIPGBGCOBNNW-HNNXBMFYSA-N 0 1 386.458 3.789 20 10 GHCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185322713 865980396 /nfs/dbraw/zinc/98/03/96/865980396.db2.gz NFYKGEZOYBYRFK-HUUCEWRRSA-N 0 1 384.501 3.865 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)n1 ZINC000924756248 866035085 /nfs/dbraw/zinc/03/50/85/866035085.db2.gz ZTRWKEQOSPWMSW-CQSZACIVSA-N 0 1 376.298 3.532 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000920430244 882123261 /nfs/dbraw/zinc/12/32/61/882123261.db2.gz TVNGHDYMQMODDG-UXHICEINSA-N 0 1 387.568 3.540 20 10 GHCDMN COc1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)c(O)c1 ZINC000793388621 882163892 /nfs/dbraw/zinc/16/38/92/882163892.db2.gz QKPMXJHPNDXVML-UHFFFAOYSA-N 0 1 388.265 3.843 20 10 GHCDMN CCN(CC(=O)N(C1CC1)C1CCCC1)Cc1cc(Br)ccc1O ZINC000743870906 868468357 /nfs/dbraw/zinc/46/83/57/868468357.db2.gz HAAIAAKRDCLZEB-UHFFFAOYSA-N 0 1 395.341 3.910 20 10 GHCDMN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1cc(Br)ccc1O ZINC000744426298 868828948 /nfs/dbraw/zinc/82/89/48/868828948.db2.gz QTLDKLWADPADCG-UHFFFAOYSA-N 0 1 393.281 3.624 20 10 GHCDMN CCc1nc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n[nH]1 ZINC000011714733 882279493 /nfs/dbraw/zinc/27/94/93/882279493.db2.gz DEGCZRWLEAWBPP-UHFFFAOYSA-N 0 1 398.488 3.521 20 10 GHCDMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 ZINC000011714733 882279499 /nfs/dbraw/zinc/27/94/99/882279499.db2.gz DEGCZRWLEAWBPP-UHFFFAOYSA-N 0 1 398.488 3.521 20 10 GHCDMN CN(C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000793604432 882312684 /nfs/dbraw/zinc/31/26/84/882312684.db2.gz GNLXICXWQOOUPR-SFHVURJKSA-N 0 1 387.911 3.824 20 10 GHCDMN CN(C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000793604432 882312704 /nfs/dbraw/zinc/31/27/04/882312704.db2.gz GNLXICXWQOOUPR-SFHVURJKSA-N 0 1 387.911 3.824 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000745783836 869808473 /nfs/dbraw/zinc/80/84/73/869808473.db2.gz FGSPXCSGFOEUOU-IBGZPJMESA-N 0 1 385.508 3.746 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC001192315071 870281480 /nfs/dbraw/zinc/28/14/80/870281480.db2.gz NDDUZNQDXOAESL-GOSISDBHSA-N 0 1 382.504 3.593 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775526244 870339206 /nfs/dbraw/zinc/33/92/06/870339206.db2.gz PEEUFYBMGJPWMM-RDJZCZTQSA-N 0 1 382.273 3.938 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000775525815 870377028 /nfs/dbraw/zinc/37/70/28/870377028.db2.gz FUJWUOSWYNZRDH-IPYPFGDCSA-N 0 1 390.343 3.551 20 10 GHCDMN COc1ccc(N2CCN([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001168879125 870966187 /nfs/dbraw/zinc/96/61/87/870966187.db2.gz GBWNXVIOGONSLF-ROUUACIJSA-N 0 1 389.540 3.524 20 10 GHCDMN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766645405 871381619 /nfs/dbraw/zinc/38/16/19/871381619.db2.gz UCXGGLMGZBZYPR-SFHVURJKSA-N 0 1 388.431 3.957 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775648210 872270657 /nfs/dbraw/zinc/27/06/57/872270657.db2.gz REMMHTMASSHVFE-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN Cc1cc(Br)cc([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1O ZINC000857875668 882605246 /nfs/dbraw/zinc/60/52/46/882605246.db2.gz XUVNNYPJEKIFLP-PXAZEXFGSA-N 0 1 389.293 3.827 20 10 GHCDMN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cccc(C)c4O)CC3)n2)cc1 ZINC000775653598 872368188 /nfs/dbraw/zinc/36/81/88/872368188.db2.gz KAMUNAIWGRHGMY-SFHVURJKSA-N 0 1 392.503 3.938 20 10 GHCDMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775653663 872368436 /nfs/dbraw/zinc/36/84/36/872368436.db2.gz MBZYGIAJKCLCAK-ZDUSSCGKSA-N 0 1 377.847 3.739 20 10 GHCDMN O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668358 872562641 /nfs/dbraw/zinc/56/26/41/872562641.db2.gz XIVJHEQJWJDWNH-HNNXBMFYSA-N 0 1 381.810 3.720 20 10 GHCDMN CCCCC[C@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767763022 872818281 /nfs/dbraw/zinc/81/82/81/872818281.db2.gz QPXVDSPIKVOCMV-QFIPXVFZSA-N 0 1 388.552 3.972 20 10 GHCDMN CCCn1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000767947809 872979120 /nfs/dbraw/zinc/97/91/20/872979120.db2.gz LCDOGNQTPVYAND-UHFFFAOYSA-N 0 1 379.508 3.653 20 10 GHCDMN COc1nc2ccccc2cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000768207419 873144073 /nfs/dbraw/zinc/14/40/73/873144073.db2.gz IHPFJQQPONIKPJ-UHFFFAOYSA-N 0 1 377.488 3.712 20 10 GHCDMN COc1cc(Br)ccc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001196607575 873228381 /nfs/dbraw/zinc/22/83/81/873228381.db2.gz OOIXCEQTQTYIPX-UHFFFAOYSA-N 0 1 386.267 3.581 20 10 GHCDMN O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768911968 873680182 /nfs/dbraw/zinc/68/01/82/873680182.db2.gz KXJZIAQYPNCFOX-MRXNPFEDSA-N 0 1 378.925 3.821 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2[nH]ccc21 ZINC000768914005 873683441 /nfs/dbraw/zinc/68/34/41/873683441.db2.gz BXSWDZSLXCMMGH-MRXNPFEDSA-N 0 1 383.879 3.921 20 10 GHCDMN COc1ccc(N2CCC[N@H+](Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC000768998930 873764742 /nfs/dbraw/zinc/76/47/42/873764742.db2.gz QGFXMDNTIWYNPQ-UHFFFAOYSA-N 0 1 391.309 3.876 20 10 GHCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC000768998930 873764757 /nfs/dbraw/zinc/76/47/57/873764757.db2.gz QGFXMDNTIWYNPQ-UHFFFAOYSA-N 0 1 391.309 3.876 20 10 GHCDMN CCCN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000769210830 873892490 /nfs/dbraw/zinc/89/24/90/873892490.db2.gz IYVATVNPKDBPLG-GOSISDBHSA-N 0 1 399.510 3.902 20 10 GHCDMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc2ccccc21 ZINC001198450319 874410516 /nfs/dbraw/zinc/41/05/16/874410516.db2.gz MZNHOKURJZIHEH-QGZVFWFLSA-N 0 1 391.515 3.881 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cccc(Cl)c3N)cc2F)C[C@H](C)O1 ZINC001199412302 874975477 /nfs/dbraw/zinc/97/54/77/874975477.db2.gz GDFSYKCDGSTRLH-OKILXGFUSA-N 0 1 377.891 3.965 20 10 GHCDMN O=C(CCc1ccccc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771056610 875013026 /nfs/dbraw/zinc/01/30/26/875013026.db2.gz FLJQYCZTDIPZFV-GOSISDBHSA-N 0 1 390.886 3.898 20 10 GHCDMN O=C(Cc1cccc(F)c1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771067616 875019449 /nfs/dbraw/zinc/01/94/49/875019449.db2.gz UYGZJAIAISZFGI-INIZCTEOSA-N 0 1 394.849 3.647 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000858166704 882902691 /nfs/dbraw/zinc/90/26/91/882902691.db2.gz YDEJDRKTCVDMTI-CYBMUJFWSA-N 0 1 379.273 3.910 20 10 GHCDMN CCCOc1ccc(CN[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1C ZINC001200960270 875412601 /nfs/dbraw/zinc/41/26/01/875412601.db2.gz GBBCDTFQRYXMLB-NRFANRHFSA-N 0 1 398.503 3.696 20 10 GHCDMN CC(C)N(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(N(C)C)cc1 ZINC000771791751 875463916 /nfs/dbraw/zinc/46/39/16/875463916.db2.gz SZTQJTGLFGNWTN-QGZVFWFLSA-N 0 1 385.474 3.764 20 10 GHCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000746601258 876897111 /nfs/dbraw/zinc/89/71/11/876897111.db2.gz IUPJAYQGDDYPAS-UHFFFAOYSA-N 0 1 380.414 3.903 20 10 GHCDMN C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCCCC2)cc1 ZINC000786964234 877052866 /nfs/dbraw/zinc/05/28/66/877052866.db2.gz VZWSPQOIDIMEDD-OAHLLOKOSA-N 0 1 378.563 3.993 20 10 GHCDMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776486183 877085507 /nfs/dbraw/zinc/08/55/07/877085507.db2.gz YGJNCSJZIVKNGM-WOJBJXKFSA-N 0 1 382.464 3.824 20 10 GHCDMN CCNC(=O)Nc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC000788528845 878160096 /nfs/dbraw/zinc/16/00/96/878160096.db2.gz GRFSDMZZKYCUOJ-UHFFFAOYSA-N 0 1 381.524 3.500 20 10 GHCDMN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)Cc2ccccc2O)cc1 ZINC000111235839 878958906 /nfs/dbraw/zinc/95/89/06/878958906.db2.gz NQTITFISZSPYHX-OAQYLSRUSA-N 0 1 382.504 3.977 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567726 879124452 /nfs/dbraw/zinc/12/44/52/879124452.db2.gz XAECQUVZLNFUMQ-BXKMTCNYSA-N 0 1 391.467 3.942 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000180900988 879470093 /nfs/dbraw/zinc/47/00/93/879470093.db2.gz QUKICFPXEPGMJD-BVRWQAIYSA-N 0 1 385.423 3.893 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000858526605 883173766 /nfs/dbraw/zinc/17/37/66/883173766.db2.gz GFWRPSXQMFXQOT-WBVHZDCISA-N 0 1 386.492 3.832 20 10 GHCDMN CN(CC1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1)C(=O)OC(C)(C)C ZINC001203574231 912709096 /nfs/dbraw/zinc/70/90/96/912709096.db2.gz QMSQQNDGKXWBGI-UHFFFAOYSA-N 0 1 375.296 3.998 20 10 GHCDMN CSc1ccccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135289 883616798 /nfs/dbraw/zinc/61/67/98/883616798.db2.gz IEVNJQBPGINIEY-UHFFFAOYSA-N 0 1 378.302 3.899 20 10 GHCDMN COCC[C@@H](Cc1ccco1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805278060 883734594 /nfs/dbraw/zinc/73/45/94/883734594.db2.gz QWESFPJTFKNJSW-ZDUSSCGKSA-N 0 1 387.263 3.739 20 10 GHCDMN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC001275241420 912795511 /nfs/dbraw/zinc/79/55/11/912795511.db2.gz BHXZNQACSZEFRR-DAXOMENPSA-N 0 1 381.314 3.519 20 10 GHCDMN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1[O-] ZINC001275241420 912795523 /nfs/dbraw/zinc/79/55/23/912795523.db2.gz BHXZNQACSZEFRR-DAXOMENPSA-N 0 1 381.314 3.519 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154872 884238339 /nfs/dbraw/zinc/23/83/39/884238339.db2.gz FPZXHFJTWOBSCI-AUUYWEPGSA-N 0 1 382.504 3.936 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509190 884312336 /nfs/dbraw/zinc/31/23/36/884312336.db2.gz ZZJWWBMYWAKWCL-FQEVSTJZSA-N 0 1 382.451 3.893 20 10 GHCDMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000860242958 884475723 /nfs/dbraw/zinc/47/57/23/884475723.db2.gz XOOZLXQGACICQT-SMDDNHRTSA-N 0 1 378.822 3.715 20 10 GHCDMN CSCc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807513204 885496228 /nfs/dbraw/zinc/49/62/28/885496228.db2.gz KDBCOVPJLGHMDH-UHFFFAOYSA-N 0 1 399.299 3.817 20 10 GHCDMN Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511098 885496703 /nfs/dbraw/zinc/49/67/03/885496703.db2.gz FBVDPZLJVRNGKU-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN CCCN(CCC)C(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841377 885773183 /nfs/dbraw/zinc/77/31/83/885773183.db2.gz ZHLUQPIVSVJQHX-UHFFFAOYSA-N 0 1 375.296 3.744 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(OCC(F)F)n1 ZINC000807841062 885773401 /nfs/dbraw/zinc/77/34/01/885773401.db2.gz QQIZKRWHJUCWQO-UHFFFAOYSA-N 0 1 377.174 3.668 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000807837707 885800812 /nfs/dbraw/zinc/80/08/12/885800812.db2.gz BCPGZDHVROOBQI-LLVKDONJSA-N 0 1 397.233 3.507 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000862023521 886060582 /nfs/dbraw/zinc/06/05/82/886060582.db2.gz ABVXVIKVKCGFLC-GCJKJVERSA-N 0 1 395.547 3.993 20 10 GHCDMN Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000862027661 886063938 /nfs/dbraw/zinc/06/39/38/886063938.db2.gz AYSKDHOHKAYDSL-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000862214159 886213619 /nfs/dbraw/zinc/21/36/19/886213619.db2.gz IFEQHOSYZWTHGU-UHFFFAOYSA-N 0 1 387.281 3.577 20 10 GHCDMN CCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(N)(=O)=O ZINC000808442494 886355324 /nfs/dbraw/zinc/35/53/24/886355324.db2.gz FZAJLMKYADBSBE-UHFFFAOYSA-N 0 1 375.277 3.521 20 10 GHCDMN COC(=O)c1cnc(C2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)s1 ZINC000862473566 886396497 /nfs/dbraw/zinc/39/64/97/886396497.db2.gz AUXKVCMBJSDNBL-PLNGDYQASA-N 0 1 385.533 3.889 20 10 GHCDMN CCSC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC001131546892 887034847 /nfs/dbraw/zinc/03/48/47/887034847.db2.gz QKVLTFOQJJQKEY-UHFFFAOYSA-N 0 1 385.577 3.810 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1[O-] ZINC001170573940 887213695 /nfs/dbraw/zinc/21/36/95/887213695.db2.gz WFNYTQAKCBTXSM-WMLDXEAASA-N 0 1 381.881 3.673 20 10 GHCDMN COc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)ccc1Cl ZINC000864355236 887721901 /nfs/dbraw/zinc/72/19/01/887721901.db2.gz FLUCGQBIRPRMIR-XNTDXEJSSA-N 0 1 382.938 3.644 20 10 GHCDMN COc1cccc(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)c1O ZINC000809740211 887775289 /nfs/dbraw/zinc/77/52/89/887775289.db2.gz PRKHKJOQBVBRBA-UHFFFAOYSA-N 0 1 388.265 3.843 20 10 GHCDMN COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3cc(F)ccc3O)CC2)c1C ZINC000809764541 887804709 /nfs/dbraw/zinc/80/47/09/887804709.db2.gz IUWUDHLQXZQVPI-UHFFFAOYSA-N 0 1 387.499 3.648 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccc(OC(F)F)cc3F)cc2)CC1 ZINC000865633207 888489854 /nfs/dbraw/zinc/48/98/54/888489854.db2.gz ZARFCHYFRIQAGQ-UHFFFAOYSA-N 0 1 380.410 3.678 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc2ccccc2c1[O-] ZINC000866578552 888948997 /nfs/dbraw/zinc/94/89/97/888948997.db2.gz UHSGOWUKZFMMFW-MRXNPFEDSA-N 0 1 375.472 3.921 20 10 GHCDMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154114648 889279924 /nfs/dbraw/zinc/27/99/24/889279924.db2.gz AVCOPEJTTOJVQQ-KRWDZBQOSA-N 0 1 390.524 3.941 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC001184658951 913347477 /nfs/dbraw/zinc/34/74/77/913347477.db2.gz UUKUNTSPWPAHAX-UHFFFAOYSA-N 0 1 384.480 3.536 20 10 GHCDMN Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001133123634 890256910 /nfs/dbraw/zinc/25/69/10/890256910.db2.gz UJVRAGOYOZKRFN-UHFFFAOYSA-N 0 1 398.576 3.791 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000917064124 890914051 /nfs/dbraw/zinc/91/40/51/890914051.db2.gz UWUYVZWRDVQKTO-JOCHJYFZSA-N 0 1 383.511 3.557 20 10 GHCDMN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074060 890964397 /nfs/dbraw/zinc/96/43/97/890964397.db2.gz OOVYAQLMLKFADC-QGZVFWFLSA-N 0 1 381.520 3.603 20 10 GHCDMN O=S(=O)(CCc1ccc(F)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC001212054549 891448374 /nfs/dbraw/zinc/44/83/74/891448374.db2.gz GYJHOIBTCYWHRZ-UHFFFAOYSA-N 0 1 378.252 3.500 20 10 GHCDMN CN(C)c1ccc(CNCc2cc3ccccc3n(C)c2=O)c(C(F)(F)F)c1 ZINC000813790553 891978239 /nfs/dbraw/zinc/97/82/39/891978239.db2.gz QTMPRNOHVOUGSZ-UHFFFAOYSA-N 0 1 389.421 3.913 20 10 GHCDMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)c2C1 ZINC000874192402 892029080 /nfs/dbraw/zinc/02/90/80/892029080.db2.gz KDHADROYACPNHR-HOTGVXAUSA-N 0 1 395.503 3.568 20 10 GHCDMN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876621901 893262341 /nfs/dbraw/zinc/26/23/41/893262341.db2.gz LNIAWGXMGFBBTI-HSZRJFAPSA-N 0 1 390.531 3.872 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825900596 893315955 /nfs/dbraw/zinc/31/59/55/893315955.db2.gz OFFZYOPHBWBKCN-MNOVXSKESA-N 0 1 382.917 3.521 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864571 913848068 /nfs/dbraw/zinc/84/80/68/913848068.db2.gz RMYRNCRFYIAQIS-KRWDZBQOSA-N 0 1 390.411 3.629 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864571 913848079 /nfs/dbraw/zinc/84/80/79/913848079.db2.gz RMYRNCRFYIAQIS-KRWDZBQOSA-N 0 1 390.411 3.629 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049651 894559443 /nfs/dbraw/zinc/55/94/43/894559443.db2.gz NRCKZIZNSWQJIO-UKRRQHHQSA-N 0 1 380.916 3.765 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049651 894559595 /nfs/dbraw/zinc/55/95/95/894559595.db2.gz NRCKZIZNSWQJIO-UKRRQHHQSA-N 0 1 380.916 3.765 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(C(C)(C)C)[nH]3)ccc21 ZINC000816407811 894787829 /nfs/dbraw/zinc/78/78/29/894787829.db2.gz QIYSZXGGJHBHBH-UHFFFAOYSA-N 0 1 384.480 3.677 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)OCc3n[nH]c(C(C)(C)C)n3)ccc21 ZINC000816407811 894787841 /nfs/dbraw/zinc/78/78/41/894787841.db2.gz QIYSZXGGJHBHBH-UHFFFAOYSA-N 0 1 384.480 3.677 20 10 GHCDMN O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)c1ccccc1 ZINC000816499776 894878189 /nfs/dbraw/zinc/87/81/89/894878189.db2.gz ZWAAJVMPFSPXAN-AWEZNQCLSA-N 0 1 376.859 3.827 20 10 GHCDMN O=C(CN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1)Nc1ccccc1 ZINC000816533995 894901177 /nfs/dbraw/zinc/90/11/77/894901177.db2.gz SKUFJDHNLXNWBD-UHFFFAOYSA-N 0 1 389.499 3.738 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000774904751 913996436 /nfs/dbraw/zinc/99/64/36/913996436.db2.gz VRNPFHFZNAWZKT-AWEZNQCLSA-N 0 1 388.395 3.543 20 10 GHCDMN CC(C)[C@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817958096 895978520 /nfs/dbraw/zinc/97/85/20/895978520.db2.gz HJZRRCRHAAQFFJ-QPUJVOFHSA-N 0 1 380.124 3.551 20 10 GHCDMN C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000883290628 897456095 /nfs/dbraw/zinc/45/60/95/897456095.db2.gz AOOODOJLYJRYCB-IBGZPJMESA-N 0 1 389.547 3.690 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000101602768 897949195 /nfs/dbraw/zinc/94/91/95/897949195.db2.gz LHDOWZPYKVSDFH-UHFFFAOYSA-N 0 1 396.535 3.897 20 10 GHCDMN CC(C)OC1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000569890618 899008298 /nfs/dbraw/zinc/00/82/98/899008298.db2.gz PYFXSJPGCWGIRW-UHFFFAOYSA-N 0 1 397.563 3.824 20 10 GHCDMN CCCCCC(=O)NC1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824649573 899736685 /nfs/dbraw/zinc/73/66/85/899736685.db2.gz FOVYMQANMRSUIC-UHFFFAOYSA-N 0 1 383.330 3.816 20 10 GHCDMN CCCCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824649573 899736693 /nfs/dbraw/zinc/73/66/93/899736693.db2.gz FOVYMQANMRSUIC-UHFFFAOYSA-N 0 1 383.330 3.816 20 10 GHCDMN CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824649710 899738155 /nfs/dbraw/zinc/73/81/55/899738155.db2.gz HGKFGKWATAMUEV-ZDUSSCGKSA-N 0 1 383.330 3.527 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000825101351 899953092 /nfs/dbraw/zinc/95/30/92/899953092.db2.gz CYOACVAQLDOZEP-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1Cl)c1ccc2nsnc2c1 ZINC001186263054 914398677 /nfs/dbraw/zinc/39/86/77/914398677.db2.gz JRMCJRNASOXGCW-UHFFFAOYSA-N 0 1 376.246 3.505 20 10 GHCDMN CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825284355 900071741 /nfs/dbraw/zinc/07/17/41/900071741.db2.gz YTPXFTHWMHTBDV-SFHVURJKSA-N 0 1 380.282 3.765 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1Cl ZINC000825474866 900184987 /nfs/dbraw/zinc/18/49/87/900184987.db2.gz HJIUKSBFGXGQMR-MRXNPFEDSA-N 0 1 386.858 3.856 20 10 GHCDMN COc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1NC(=O)OC(C)(C)C ZINC000825487047 900189325 /nfs/dbraw/zinc/18/93/25/900189325.db2.gz JSHJUBFFOLVCBD-UHFFFAOYSA-N 0 1 392.383 3.845 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(F)ccc1F ZINC000886746830 901251256 /nfs/dbraw/zinc/25/12/56/901251256.db2.gz DLBUPDLSAKBDGH-OAQYLSRUSA-N 0 1 387.474 3.907 20 10 GHCDMN CC(C)(C)OC(=O)O[C@H]1CCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144298976 901646762 /nfs/dbraw/zinc/64/67/62/901646762.db2.gz NONHJGKJJWDORQ-NSHDSACASA-N 0 1 390.249 3.820 20 10 GHCDMN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144299815 901652242 /nfs/dbraw/zinc/65/22/42/901652242.db2.gz JJOLHRZGYSDBNB-GOSISDBHSA-N 0 1 399.304 3.517 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccoc3C(F)(F)F)cc2F)CC1 ZINC000290320660 914627414 /nfs/dbraw/zinc/62/74/14/914627414.db2.gz VNPVPSZMDBHZEA-UHFFFAOYSA-N 0 1 399.388 3.509 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981767 902490480 /nfs/dbraw/zinc/49/04/80/902490480.db2.gz QQCSKMRUVKKGNP-JSGCOSHPSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981767 902490489 /nfs/dbraw/zinc/49/04/89/902490489.db2.gz QQCSKMRUVKKGNP-JSGCOSHPSA-N 0 1 396.915 3.983 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(O)c2Br)c1 ZINC000845971546 902553083 /nfs/dbraw/zinc/55/30/83/902553083.db2.gz LFUUKWVXMYHKJR-JTQLQIEISA-N 0 1 382.254 3.728 20 10 GHCDMN CCCN(Cc1ccccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000159982997 904463895 /nfs/dbraw/zinc/46/38/95/904463895.db2.gz MQFCSTKABHLQDY-KRWDZBQOSA-N 0 1 377.282 3.593 20 10 GHCDMN COc1ccc(N2CCN([C@@H]3CCc4cc(F)c(F)cc4C3)CC2)c(OC)c1 ZINC001171496328 904740556 /nfs/dbraw/zinc/74/05/56/904740556.db2.gz OLKYRRRXKBBYMX-QGZVFWFLSA-N 0 1 388.458 3.662 20 10 GHCDMN CCCCN(Cc1ccccc1O)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000801596835 921175902 /nfs/dbraw/zinc/17/59/02/921175902.db2.gz QGPRBGWXAQIXPS-UHFFFAOYSA-N 0 1 397.475 3.861 20 10 GHCDMN COc1ccc(N2CCN([C@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001173056929 906131980 /nfs/dbraw/zinc/13/19/80/906131980.db2.gz OHFODCAFRCKLKV-HKUYNNGSSA-N 0 1 389.540 3.605 20 10 GHCDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181001899 906894787 /nfs/dbraw/zinc/89/47/87/906894787.db2.gz NWPAISDJKJMUNX-FNORWQNLSA-N 0 1 384.501 3.607 20 10 GHCDMN CC(C)Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000181767318 907074629 /nfs/dbraw/zinc/07/46/29/907074629.db2.gz ZLALCYJEQKJPBN-UHFFFAOYSA-N 0 1 396.457 3.684 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184969096 907689437 /nfs/dbraw/zinc/68/94/37/907689437.db2.gz BVCSSAZXVJPTRA-ZDUSSCGKSA-N 0 1 395.334 3.697 20 10 GHCDMN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000186068016 907874641 /nfs/dbraw/zinc/87/46/41/907874641.db2.gz ZLTLXTSQZDENQM-GFCCVEGCSA-N 0 1 381.270 3.527 20 10 GHCDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000194721103 908917187 /nfs/dbraw/zinc/91/71/87/908917187.db2.gz OVXKIIZODFWGSA-LSDHHAIUSA-N 0 1 399.450 3.535 20 10 GHCDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000194723971 908917876 /nfs/dbraw/zinc/91/78/76/908917876.db2.gz UKZJTAAMVKOWKY-CABCVRRESA-N 0 1 399.450 3.535 20 10 GHCDMN Cn1c(=O)oc2c1cccc2NCc1cc(Cl)cc(Br)c1O ZINC001178192163 908932736 /nfs/dbraw/zinc/93/27/36/908932736.db2.gz WQNXSCLNLCSNRF-UHFFFAOYSA-N 0 1 383.629 3.865 20 10 GHCDMN Cc1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000774005795 911227537 /nfs/dbraw/zinc/22/75/37/911227537.db2.gz UBGPEKQZIQQRRK-AWEZNQCLSA-N 0 1 380.496 3.606 20 10 GHCDMN O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283187681 911403290 /nfs/dbraw/zinc/40/32/90/911403290.db2.gz QKMPJDZIODQKQZ-KNQAVFIVSA-N 0 1 394.515 3.536 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCO[C@@H](C)C2)C1 ZINC000774178878 911498990 /nfs/dbraw/zinc/49/89/90/911498990.db2.gz IJWSBTAEMFMYNM-ROUUACIJSA-N 0 1 384.520 3.766 20 10 GHCDMN O=C1C[C@@H](Oc2ccccc2NCc2cc(Cl)cc(Br)c2O)N1 ZINC001182462295 911753649 /nfs/dbraw/zinc/75/36/49/911753649.db2.gz OSBYBTHUWMLGIE-OAHLLOKOSA-N 0 1 397.656 3.645 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092731125 911757783 /nfs/dbraw/zinc/75/77/83/911757783.db2.gz FRGVSWAOCXIFLO-ZFWWWQNUSA-N 0 1 383.330 3.672 20 10 GHCDMN COc1ccc(N2CCC(N[C@H](c3ccn(C)n3)c3ccc(F)cc3)CC2)cc1 ZINC000774478595 911783759 /nfs/dbraw/zinc/78/37/59/911783759.db2.gz MTLCZMSFSIURNZ-QHCPKHFHSA-N 0 1 394.494 3.916 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)Cc1cc(F)ccc1F ZINC001189698339 916839832 /nfs/dbraw/zinc/83/98/32/916839832.db2.gz GWMHXVPBTCQNIN-UHFFFAOYSA-N 0 1 388.395 3.533 20 10 GHCDMN COC1CCN(c2ccc(CN[C@@H](C[S@@](C)=O)c3ccccc3)cc2)CC1 ZINC000294905185 917044451 /nfs/dbraw/zinc/04/44/51/917044451.db2.gz FCZNQOIEFKHWFQ-WXVAWEFUSA-N 0 1 386.561 3.511 20 10 GHCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775435494 917756786 /nfs/dbraw/zinc/75/67/86/917756786.db2.gz WZOSZTUMSYYNKP-GOSISDBHSA-N 0 1 395.551 3.696 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775498075 918365455 /nfs/dbraw/zinc/36/54/55/918365455.db2.gz GRWWYKVGJFMEJQ-SJCJKPOMSA-N 0 1 382.913 3.756 20 10 GHCDMN CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1[O-] ZINC000775495898 918370057 /nfs/dbraw/zinc/37/00/57/918370057.db2.gz BDQMTEQKDXFNIF-CQSZACIVSA-N 0 1 378.270 3.619 20 10 GHCDMN C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000371864245 924922208 /nfs/dbraw/zinc/92/22/08/924922208.db2.gz KTRWJJPOZPTMMX-RYUDHWBXSA-N 0 1 379.302 3.884 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3[nH]nc4ccccc43)CC2)cc1 ZINC001137353866 924951749 /nfs/dbraw/zinc/95/17/49/924951749.db2.gz YQLMVYJXKNJKHH-UHFFFAOYSA-N 0 1 376.382 3.784 20 10 GHCDMN Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000749679314 927231930 /nfs/dbraw/zinc/23/19/30/927231930.db2.gz RDYHVWQMYZDBKF-UHFFFAOYSA-N 0 1 378.404 3.789 20 10 GHCDMN CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000750823877 927876136 /nfs/dbraw/zinc/87/61/36/927876136.db2.gz XPOGMZGVAGKRDJ-INIZCTEOSA-N 0 1 378.488 3.642 20 10 GHCDMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000750823877 927876153 /nfs/dbraw/zinc/87/61/53/927876153.db2.gz XPOGMZGVAGKRDJ-INIZCTEOSA-N 0 1 378.488 3.642 20 10 GHCDMN CCCCCCNC(=O)[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000750823877 927876161 /nfs/dbraw/zinc/87/61/61/927876161.db2.gz XPOGMZGVAGKRDJ-INIZCTEOSA-N 0 1 378.488 3.642 20 10 GHCDMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000780657629 930570426 /nfs/dbraw/zinc/57/04/26/930570426.db2.gz LRMKCYQBNQZWEX-ZYSHUDEJSA-N 0 1 394.943 3.722 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000782783632 931334935 /nfs/dbraw/zinc/33/49/35/931334935.db2.gz JNLIWKLTNXUJRV-UHFFFAOYSA-N 0 1 378.480 3.776 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)n1 ZINC000924716865 931513140 /nfs/dbraw/zinc/51/31/40/931513140.db2.gz RJYJHQKYIWLKGI-ZDUSSCGKSA-N 0 1 394.288 3.671 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000777590628 932094145 /nfs/dbraw/zinc/09/41/45/932094145.db2.gz FTLYKRBKCWXMOU-INIZCTEOSA-N 0 1 397.880 3.794 20 10 GHCDMN Cc1cc(CC(=O)NC2(c3nnc[nH]3)CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000797758602 932398549 /nfs/dbraw/zinc/39/85/49/932398549.db2.gz RYCYLRNFBDYXBC-UHFFFAOYSA-N 0 1 383.883 3.604 20 10 GHCDMN Cc1cc(Br)cc([C@H](C)NCc2nc3c(s2)COCC3)c1O ZINC000927120663 932421215 /nfs/dbraw/zinc/42/12/15/932421215.db2.gz JTQVXMIHGAINBA-JTQLQIEISA-N 0 1 383.311 3.843 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001118639510 934215247 /nfs/dbraw/zinc/21/52/47/934215247.db2.gz QZTQAMVRNIZSEP-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN COC1CCN(c2ccc(CN[C@@H](c3nnc4ccccn43)C(C)C)cc2)CC1 ZINC000828722757 934397587 /nfs/dbraw/zinc/39/75/87/934397587.db2.gz RVZJIQLZXWETPM-JOCHJYFZSA-N 0 1 393.535 3.831 20 10 GHCDMN CC[C@H]1CCC[C@@]1(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124518126 935402888 /nfs/dbraw/zinc/40/28/88/935402888.db2.gz RNEQXXMLORKYKE-WMZHIEFXSA-N 0 1 387.568 3.540 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C(C)(C)CC(C)(C)C)CC2)cc1 ZINC001124584912 935420375 /nfs/dbraw/zinc/42/03/75/935420375.db2.gz HNGJLHADGMBSOB-UHFFFAOYSA-N 0 1 389.584 3.786 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]2CF)CC1 ZINC001137833096 935813168 /nfs/dbraw/zinc/81/31/68/935813168.db2.gz SGOZFJVQSNYWRR-ZFWWWQNUSA-N 0 1 382.451 3.606 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001137834823 935814175 /nfs/dbraw/zinc/81/41/75/935814175.db2.gz VEGXJKWJKCWIQZ-HTAPYJJXSA-N 0 1 386.467 3.514 20 10 GHCDMN CC(=O)c1ccc(O)c(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)c1 ZINC001137920862 935871255 /nfs/dbraw/zinc/87/12/55/935871255.db2.gz KSSJLITXDDFPLA-UHFFFAOYSA-N 0 1 390.439 3.996 20 10 GHCDMN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001598519272 992658761 /nfs/dbraw/zinc/65/87/61/992658761.db2.gz PZUYLFFYZHQVNI-UHFFFAOYSA-N 0 1 378.476 3.814 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H](C)CC3)cc2F)CC1 ZINC001226824875 1032146382 /nfs/dbraw/zinc/14/63/82/1032146382.db2.gz KPJYDCPBVZAJQN-HKUYNNGSSA-N 0 1 390.547 3.736 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC001221227143 1032341302 /nfs/dbraw/zinc/34/13/02/1032341302.db2.gz DKOWTLMRGABQGE-IBGZPJMESA-N 0 1 394.563 3.779 20 10 GHCDMN O=c1oc2cc(O)cc(OC[C@H]3CCC=CO3)c2c2oc3cc(O)c(O)cc3c21 ZINC001227662343 1032509283 /nfs/dbraw/zinc/50/92/83/1032509283.db2.gz KTFQCRWTCDATOL-LLVKDONJSA-N 0 1 396.351 3.881 20 10 GHCDMN O=c1oc2cc(O)cc(OC3CC(F)(F)C3)c2c2oc3cc(O)c(O)cc3c21 ZINC001227660779 1032509411 /nfs/dbraw/zinc/50/94/11/1032509411.db2.gz DIXUVTPHEOVPGX-UHFFFAOYSA-N 0 1 390.294 3.986 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2ncn(C)c21 ZINC001204235354 1032681173 /nfs/dbraw/zinc/68/11/73/1032681173.db2.gz MTKHQTVCFXRYED-SFHVURJKSA-N 0 1 378.520 3.775 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001204340400 1032781623 /nfs/dbraw/zinc/78/16/23/1032781623.db2.gz PUOUCBRHKHWZTP-OAHLLOKOSA-N 0 1 393.281 3.520 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4[nH]ccc4cc3Cl)CC2)cc1 ZINC001156261034 1032947602 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COC(=O)c1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccccc2F)c1 ZINC001233307386 1039097690 /nfs/dbraw/zinc/09/76/90/1039097690.db2.gz ANTJCIPTDSHLLB-UHFFFAOYSA-N 0 1 382.229 3.712 20 10 GHCDMN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233417002 1039275641 /nfs/dbraw/zinc/27/56/41/1039275641.db2.gz FKUOHNLXXGWRLY-PXNSSMCTSA-N 0 1 390.405 3.517 20 10 GHCDMN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454533 1039343403 /nfs/dbraw/zinc/34/34/03/1039343403.db2.gz YHPGKMHTRNSGAW-UHFFFAOYSA-N 0 1 380.410 3.880 20 10 GHCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454533 1039343417 /nfs/dbraw/zinc/34/34/17/1039343417.db2.gz YHPGKMHTRNSGAW-UHFFFAOYSA-N 0 1 380.410 3.880 20 10 GHCDMN O=C1CC2(CN1CC1CC1)CC[NH+](Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233455432 1039345713 /nfs/dbraw/zinc/34/57/13/1039345713.db2.gz LBDFHJRCGQXCHD-UHFFFAOYSA-N 0 1 382.426 3.636 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454893 1039347038 /nfs/dbraw/zinc/34/70/38/1039347038.db2.gz NVIUWNIIEQQPLI-UHFFFAOYSA-N 0 1 392.421 3.688 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454893 1039347053 /nfs/dbraw/zinc/34/70/53/1039347053.db2.gz NVIUWNIIEQQPLI-UHFFFAOYSA-N 0 1 392.421 3.688 20 10 GHCDMN COc1ccc(CN2CCN(Cc3cccc(OC(F)(F)F)c3O)CC2)cc1 ZINC001233755253 1039592535 /nfs/dbraw/zinc/59/25/35/1039592535.db2.gz SSTIQRNPIQKFMZ-UHFFFAOYSA-N 0 1 396.409 3.617 20 10 GHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233761566 1039595671 /nfs/dbraw/zinc/59/56/71/1039595671.db2.gz VLJLDLVBJYKOJJ-ZDUSSCGKSA-N 0 1 390.402 3.732 20 10 GHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233761566 1039595685 /nfs/dbraw/zinc/59/56/85/1039595685.db2.gz VLJLDLVBJYKOJJ-ZDUSSCGKSA-N 0 1 390.402 3.732 20 10 GHCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233761563 1039596095 /nfs/dbraw/zinc/59/60/95/1039596095.db2.gz VLJLDLVBJYKOJJ-CYBMUJFWSA-N 0 1 390.402 3.732 20 10 GHCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233761563 1039596102 /nfs/dbraw/zinc/59/61/02/1039596102.db2.gz VLJLDLVBJYKOJJ-CYBMUJFWSA-N 0 1 390.402 3.732 20 10 GHCDMN COC(=O)c1c(CN2CCC[C@@](O)(c3ccccc3)C2)c2cc(F)ccc2n1C ZINC001462439660 1070253660 /nfs/dbraw/zinc/25/36/60/1070253660.db2.gz DYVQGFNUACQMCF-QHCPKHFHSA-N 0 1 396.462 3.588 20 10 GHCDMN CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234535731 1040107977 /nfs/dbraw/zinc/10/79/77/1040107977.db2.gz FPMNOFVLPJLUMQ-KRWDZBQOSA-N 0 1 381.476 3.516 20 10 GHCDMN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996093 1040490502 /nfs/dbraw/zinc/49/05/02/1040490502.db2.gz UYDUMAVPXOEQKY-PXNSSMCTSA-N 0 1 388.467 3.999 20 10 GHCDMN Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235065253 1040554728 /nfs/dbraw/zinc/55/47/28/1040554728.db2.gz NUOQEWYYRUZKHG-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN Cc1ccn2cc(C[N@@H+](C)Cc3cc(Br)cc(F)c3[O-])nc2c1 ZINC001235075104 1040563280 /nfs/dbraw/zinc/56/32/80/1040563280.db2.gz JBJVJNKVXNXTHO-UHFFFAOYSA-N 0 1 378.245 3.882 20 10 GHCDMN Cc1ccn2cc(C[N@H+](C)Cc3cc(Br)cc(F)c3[O-])nc2c1 ZINC001235075104 1040563290 /nfs/dbraw/zinc/56/32/90/1040563290.db2.gz JBJVJNKVXNXTHO-UHFFFAOYSA-N 0 1 378.245 3.882 20 10 GHCDMN [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001235302206 1040776298 /nfs/dbraw/zinc/77/62/98/1040776298.db2.gz KFDNUEMKYRXUSP-IRXDYDNUSA-N 0 1 391.284 3.753 20 10 GHCDMN [O-]c1c(Br)cc(F)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001235306918 1040780923 /nfs/dbraw/zinc/78/09/23/1040780923.db2.gz YVOJDWOBYKLRMW-UHFFFAOYSA-N 0 1 382.229 3.653 20 10 GHCDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001235306918 1040780946 /nfs/dbraw/zinc/78/09/46/1040780946.db2.gz YVOJDWOBYKLRMW-UHFFFAOYSA-N 0 1 382.229 3.653 20 10 GHCDMN COC(=O)c1cccc(C[N@@H+](C)Cc2cc(F)cc(Br)c2[O-])c1 ZINC001235306649 1040782114 /nfs/dbraw/zinc/78/21/14/1040782114.db2.gz WONFXNNTYXDYKG-UHFFFAOYSA-N 0 1 382.229 3.712 20 10 GHCDMN Nc1ccc(CN2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cc1 ZINC001235550568 1040983849 /nfs/dbraw/zinc/98/38/49/1040983849.db2.gz OGWVKFJZUAZSQE-OAQYLSRUSA-N 0 1 398.894 3.672 20 10 GHCDMN CC(C)[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC001235803819 1041311788 /nfs/dbraw/zinc/31/17/88/1041311788.db2.gz RWPHXDHDMHOWOX-QFIPXVFZSA-N 0 1 398.526 3.774 20 10 GHCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236214113 1041623890 /nfs/dbraw/zinc/62/38/90/1041623890.db2.gz PSQZMGLPRLLRII-OLZOCXBDSA-N 0 1 392.135 3.619 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCCC[C@H]1N ZINC001236214113 1041623894 /nfs/dbraw/zinc/62/38/94/1041623894.db2.gz PSQZMGLPRLLRII-OLZOCXBDSA-N 0 1 392.135 3.619 20 10 GHCDMN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)c1 ZINC001236668416 1041815144 /nfs/dbraw/zinc/81/51/44/1041815144.db2.gz AVGHEHPLCULOQA-OAHLLOKOSA-N 0 1 393.281 3.520 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001236671289 1041818831 /nfs/dbraw/zinc/81/88/31/1041818831.db2.gz TZSXFXFGKWWGFO-OAHLLOKOSA-N 0 1 377.282 3.820 20 10 GHCDMN Oc1ccc(OCc2ccccc2)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC001236778622 1041887565 /nfs/dbraw/zinc/88/75/65/1041887565.db2.gz JFWIMFUGHKLAAH-UHFFFAOYSA-N 0 1 381.394 3.860 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(Cl)c1 ZINC001236799254 1041902418 /nfs/dbraw/zinc/90/24/18/1041902418.db2.gz KXOAAQFNEGGPPZ-LJQANCHMSA-N 0 1 386.879 3.508 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236807417 1041907948 /nfs/dbraw/zinc/90/79/48/1041907948.db2.gz GIMMIHXIUXLXME-CYBMUJFWSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236807417 1041907951 /nfs/dbraw/zinc/90/79/51/1041907951.db2.gz GIMMIHXIUXLXME-CYBMUJFWSA-N 0 1 384.904 3.743 20 10 GHCDMN CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022987 1041940418 /nfs/dbraw/zinc/94/04/18/1041940418.db2.gz GKNVKZTZAMRUBZ-HNNXBMFYSA-N 0 1 380.891 3.869 20 10 GHCDMN CN(CCCC(=O)c1cccnc1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236926517 1041961422 /nfs/dbraw/zinc/96/14/22/1041961422.db2.gz IEKKZCVCKLNMAC-UHFFFAOYSA-N 0 1 387.911 3.667 20 10 GHCDMN COc1ccc(OC)c(CN2CCN(Cc3ccc(C(C)C)cc3O)CC2)c1 ZINC001237053252 1042011761 /nfs/dbraw/zinc/01/17/61/1042011761.db2.gz HRJCBRABTXNJJT-UHFFFAOYSA-N 0 1 384.520 3.851 20 10 GHCDMN O=C(NC1CCC1)[C@H]1CC12CCN(Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237112203 1042044500 /nfs/dbraw/zinc/04/45/00/1042044500.db2.gz AMLNIPHMGYYVDD-OAHLLOKOSA-N 0 1 398.425 3.562 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237120358 1042048815 /nfs/dbraw/zinc/04/88/15/1042048815.db2.gz CNLDNMJVHJNRDV-GOSISDBHSA-N 0 1 380.872 3.875 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237120358 1042048819 /nfs/dbraw/zinc/04/88/19/1042048819.db2.gz CNLDNMJVHJNRDV-GOSISDBHSA-N 0 1 380.872 3.875 20 10 GHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001237122977 1042050616 /nfs/dbraw/zinc/05/06/16/1042050616.db2.gz GCCJCZZQJNMLCK-UHFFFAOYSA-N 0 1 376.863 3.610 20 10 GHCDMN O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237125255 1042053147 /nfs/dbraw/zinc/05/31/47/1042053147.db2.gz BMOCGYIZUAAGEL-UHFFFAOYSA-N 0 1 394.796 3.562 20 10 GHCDMN O=C1Nc2ncccc2C2(CC[NH+](Cc3c([O-])ccc(F)c3Cl)CC2)O1 ZINC001237126428 1042054093 /nfs/dbraw/zinc/05/40/93/1042054093.db2.gz KXEVXSCAFNDTNV-UHFFFAOYSA-N 0 1 377.803 3.633 20 10 GHCDMN CC(C)COC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)Cc2ncn(C)c21 ZINC001237620485 1042287834 /nfs/dbraw/zinc/28/78/34/1042287834.db2.gz ZDWMRKCRADJEHJ-CQSZACIVSA-N 0 1 381.879 3.690 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237621924 1042288639 /nfs/dbraw/zinc/28/86/39/1042288639.db2.gz JNMXJJGFAUTVII-DRXBFXEBSA-N 0 1 384.879 3.920 20 10 GHCDMN Cc1cc(O)c(CN2CCCC[C@](O)(C(F)(F)F)C2)cc1Br ZINC001237677840 1042319797 /nfs/dbraw/zinc/31/97/97/1042319797.db2.gz QCNUYBBJXCCKLV-CQSZACIVSA-N 0 1 382.220 3.742 20 10 GHCDMN Cc1nc(CN2CCC3(CN(Cc4cc(Cl)cc(C)c4O)C3)C2)cs1 ZINC001237686430 1042326902 /nfs/dbraw/zinc/32/69/02/1042326902.db2.gz RCILBMMWYAKJOY-UHFFFAOYSA-N 0 1 377.941 3.827 20 10 GHCDMN COC[C@H]1CN(Cc2cc(F)cc(C)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001238060293 1042478698 /nfs/dbraw/zinc/47/86/98/1042478698.db2.gz HGKODSMKPMXABS-LJQANCHMSA-N 0 1 387.499 3.972 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(O)c(-c2nnc(CCN3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC001258137230 1044422634 /nfs/dbraw/zinc/42/26/34/1044422634.db2.gz FKVVLDQQIAOTPJ-CALCHBBNSA-N 0 1 396.491 3.501 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001294858693 1044819076 /nfs/dbraw/zinc/81/90/76/1044819076.db2.gz FCWHQQMSOLQPQS-ZCNNSNEGSA-N 0 1 384.907 3.930 20 10 GHCDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 ZINC001297960007 1045667462 /nfs/dbraw/zinc/66/74/62/1045667462.db2.gz UAWHDQQHYGCPQD-QGZVFWFLSA-N 0 1 381.520 3.771 20 10 GHCDMN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001299071963 1046006499 /nfs/dbraw/zinc/00/64/99/1046006499.db2.gz CVHWSIFSLKXQSH-INIZCTEOSA-N 0 1 385.851 3.924 20 10 GHCDMN COc1cc(O)c(CN2CC3(CN(CCCC(F)(F)F)C3)C2)cc1Cl ZINC001279571288 1047842597 /nfs/dbraw/zinc/84/25/97/1047842597.db2.gz GHJLMDSZOJDLKU-UHFFFAOYSA-N 0 1 378.822 3.514 20 10 GHCDMN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(Br)c1 ZINC001279674772 1047909507 /nfs/dbraw/zinc/90/95/07/1047909507.db2.gz MAGRCEMCTDPVLE-ROUUACIJSA-N 0 1 395.341 3.755 20 10 GHCDMN COc1cc([O-])c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c(Br)c1 ZINC001279674772 1047909512 /nfs/dbraw/zinc/90/95/12/1047909512.db2.gz MAGRCEMCTDPVLE-ROUUACIJSA-N 0 1 395.341 3.755 20 10 GHCDMN [O-]c1cc(Br)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001279684622 1047913992 /nfs/dbraw/zinc/91/39/92/1047913992.db2.gz JZLUEYZWHXLQIU-GASCZTMLSA-N 0 1 383.305 3.885 20 10 GHCDMN [O-]c1c(C[N@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)ccc(F)c1F ZINC001279697694 1047920618 /nfs/dbraw/zinc/92/06/18/1047920618.db2.gz RSPAWMYBNKQXBL-UHFFFAOYSA-N 0 1 378.385 3.911 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2nnc(Br)n2n1 ZINC001307133738 1049095642 /nfs/dbraw/zinc/09/56/42/1049095642.db2.gz KFDFMQHHYGPPPT-UHFFFAOYSA-N 0 1 389.040 3.511 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001307498486 1049337801 /nfs/dbraw/zinc/33/78/01/1049337801.db2.gz XXHZDCRIPJXBJB-FUHWJXTLSA-N 0 1 384.314 3.705 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001307498486 1049337814 /nfs/dbraw/zinc/33/78/14/1049337814.db2.gz XXHZDCRIPJXBJB-FUHWJXTLSA-N 0 1 384.314 3.705 20 10 GHCDMN Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001308906785 1050155107 /nfs/dbraw/zinc/15/51/07/1050155107.db2.gz RIJLUOYEBUCASP-QFIPXVFZSA-N 0 1 376.500 3.844 20 10 GHCDMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2c(O)ccc(Cl)c2F)cc1OC ZINC000756320019 1051029701 /nfs/dbraw/zinc/02/97/01/1051029701.db2.gz DNUZHCYZOQCKFM-CYBMUJFWSA-N 0 1 383.803 3.508 20 10 GHCDMN O=C([O-])C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(-c2ccccc2)c1 ZINC000756377982 1051060395 /nfs/dbraw/zinc/06/03/95/1051060395.db2.gz CJYYASYZLGKERX-MRXNPFEDSA-N 0 1 389.814 3.676 20 10 GHCDMN CCc1cccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001331203462 1051211885 /nfs/dbraw/zinc/21/18/85/1051211885.db2.gz JSDJPFIMHXNDDA-MRXNPFEDSA-N 0 1 398.507 3.973 20 10 GHCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC001311403313 1052107415 /nfs/dbraw/zinc/10/74/15/1052107415.db2.gz WIKUIMLWMJBPSV-HXUWFJFHSA-N 0 1 386.565 3.793 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c(C(F)(F)F)c1 ZINC001323867226 1057024896 /nfs/dbraw/zinc/02/48/96/1057024896.db2.gz OVPQLQCKUSFTBB-UHFFFAOYSA-N 0 1 389.182 3.524 20 10 GHCDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001454401208 1061754565 /nfs/dbraw/zinc/75/45/65/1061754565.db2.gz HRMUVOLFCDRODK-PBHICJAKSA-N 0 1 396.512 3.953 20 10 GHCDMN Cc1cc(CNC(=O)c2cccc3nc(CO)[nH]c32)c(C)n1-c1cccc(C)c1 ZINC001454624992 1061883670 /nfs/dbraw/zinc/88/36/70/1061883670.db2.gz ORGOINDXYQFPMT-UHFFFAOYSA-N 0 1 388.471 3.701 20 10 GHCDMN CC[C@H]1COC(C)(C)CN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001437411359 1063850663 /nfs/dbraw/zinc/85/06/63/1063850663.db2.gz LNNLCHIYENKWTD-SFHVURJKSA-N 0 1 397.563 3.824 20 10 GHCDMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465952268 1065935885 /nfs/dbraw/zinc/93/58/85/1065935885.db2.gz ZEBNRKKDUUZGRQ-TZNWLIJBSA-N 0 1 376.928 3.808 20 10 GHCDMN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC001468666909 1067813874 /nfs/dbraw/zinc/81/38/74/1067813874.db2.gz OHOUJUTUPDDWMU-SECBINFHSA-N 0 1 394.258 3.772 20 10 GHCDMN COc1cccc(O)c1CN1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 ZINC000849478667 1067858951 /nfs/dbraw/zinc/85/89/51/1067858951.db2.gz IHOHKKLQNOGVEI-NRFANRHFSA-N 0 1 385.508 3.607 20 10 GHCDMN COc1ccc(N(C)CCN(C)C(=O)c2cccc3[nH]c(C(F)F)nc32)cc1 ZINC001469807116 1068401341 /nfs/dbraw/zinc/40/13/41/1068401341.db2.gz UYHMMMNKCGJTRM-UHFFFAOYSA-N 0 1 388.418 3.718 20 10 GHCDMN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471191495 1072960091 /nfs/dbraw/zinc/96/00/91/1072960091.db2.gz OJWUYGCACFGXTN-XXBNENTESA-N 0 1 392.547 3.526 20 10 GHCDMN COc1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3O)CC2)cc1 ZINC001546188119 1073165145 /nfs/dbraw/zinc/16/51/45/1073165145.db2.gz NBPCKFJCGLHOEN-UHFFFAOYSA-N 0 1 394.393 3.818 20 10 GHCDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3cccc(Cl)c3O)n2)cc1 ZINC001472317021 1073417614 /nfs/dbraw/zinc/41/76/14/1073417614.db2.gz RLAYJVZCNAFNES-UHFFFAOYSA-N 0 1 388.880 3.548 20 10 GHCDMN COCCOc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC001473952239 1074215890 /nfs/dbraw/zinc/21/58/90/1074215890.db2.gz UWEKZZXPLSOYQA-UHFFFAOYSA-N 0 1 389.927 3.729 20 10 GHCDMN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001474347506 1074355571 /nfs/dbraw/zinc/35/55/71/1074355571.db2.gz SFVWYRMUFUECEU-CQSZACIVSA-N 0 1 392.293 3.966 20 10 GHCDMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001474347506 1074355581 /nfs/dbraw/zinc/35/55/81/1074355581.db2.gz SFVWYRMUFUECEU-CQSZACIVSA-N 0 1 392.293 3.966 20 10 GHCDMN Cc1cccc(C(=O)N2CCCN(C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001474401838 1074387880 /nfs/dbraw/zinc/38/78/80/1074387880.db2.gz CULCJLVDMLIUNM-YVMONPNESA-N 0 1 377.532 3.922 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000728194632 835092914 /nfs/dbraw/zinc/09/29/14/835092914.db2.gz CXGMHBBXRFYSOE-JOCHJYFZSA-N 0 1 389.451 3.902 20 10 GHCDMN CCN(C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000177367441 836413073 /nfs/dbraw/zinc/41/30/73/836413073.db2.gz XATUDUIUOWKAFS-ZDUSSCGKSA-N 0 1 392.849 3.954 20 10 GHCDMN CCN(C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1)CC(F)(F)F ZINC000177367441 836413077 /nfs/dbraw/zinc/41/30/77/836413077.db2.gz XATUDUIUOWKAFS-ZDUSSCGKSA-N 0 1 392.849 3.954 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)c2ccncc2)C1 ZINC000683447869 837355193 /nfs/dbraw/zinc/35/51/93/837355193.db2.gz PANWVLDVFVKOFZ-SFHVURJKSA-N 0 1 390.531 3.723 20 10 GHCDMN COc1cc(N2CCN(Cc3cc4ccccc4o3)CC2)cc(OC)c1OC ZINC000183703148 839356315 /nfs/dbraw/zinc/35/63/15/839356315.db2.gz YKAYMBOIHQFOAL-UHFFFAOYSA-N 0 1 382.460 3.781 20 10 GHCDMN Cc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000134261361 839758785 /nfs/dbraw/zinc/75/87/85/839758785.db2.gz WIHULICDPITVKJ-QGZVFWFLSA-N 0 1 376.884 3.660 20 10 GHCDMN Cc1nnc([C@@H](C)OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000785020500 839808388 /nfs/dbraw/zinc/80/83/88/839808388.db2.gz WVMVKOYYKADAES-CQSZACIVSA-N 0 1 398.532 3.872 20 10 GHCDMN Cc1nc2ccc(Cl)cc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167423300 839892075 /nfs/dbraw/zinc/89/20/75/839892075.db2.gz UTNZPNLBDPYZTR-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])CC2)cs1 ZINC000894088632 844486269 /nfs/dbraw/zinc/48/62/69/844486269.db2.gz MYTYFXRRRUIIST-ZDUSSCGKSA-N 0 1 397.491 3.542 20 10 GHCDMN Cc1ccc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nn2)s1 ZINC001167431333 840047915 /nfs/dbraw/zinc/04/79/15/840047915.db2.gz TYFBOMKSMIKFOJ-UHFFFAOYSA-N 0 1 379.533 3.877 20 10 GHCDMN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185123011 840142498 /nfs/dbraw/zinc/14/24/98/840142498.db2.gz KWSUKZPWWGTHOJ-LSDHHAIUSA-N 0 1 384.501 3.865 20 10 GHCDMN Cc1noc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)c1N ZINC001167437335 840357613 /nfs/dbraw/zinc/35/76/13/840357613.db2.gz QVKUNUQTKFWRHO-UHFFFAOYSA-N 0 1 377.492 3.596 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccccc3C)cc2F)CC1 ZINC001125976341 841015956 /nfs/dbraw/zinc/01/59/56/841015956.db2.gz WLKCKJUEIGCXRK-SFHVURJKSA-N 0 1 383.511 3.696 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 ZINC000108089948 843492644 /nfs/dbraw/zinc/49/26/44/843492644.db2.gz YGXFAGVSARPFJT-RBUKOAKNSA-N 0 1 393.531 3.574 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)CC1 ZINC000176259162 844814570 /nfs/dbraw/zinc/81/45/70/844814570.db2.gz BUGJETBCTUMRBF-UHFFFAOYSA-N 0 1 394.591 3.845 20 10 GHCDMN CC(C)n1nccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000280051726 846281899 /nfs/dbraw/zinc/28/18/99/846281899.db2.gz WELDHYTWINPPJU-UHFFFAOYSA-N 0 1 382.430 3.609 20 10 GHCDMN COc1ccc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000731853023 861909671 /nfs/dbraw/zinc/90/96/71/861909671.db2.gz WESXFAYXFXYKDQ-QGZVFWFLSA-N 0 1 389.883 3.840 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(\C)c3cccc(F)c3)cc2F)CC1 ZINC000731991052 862015958 /nfs/dbraw/zinc/01/59/58/862015958.db2.gz OEQYCXGTVYXUQV-GHRIWEEISA-N 0 1 399.485 3.826 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000435660832 850730317 /nfs/dbraw/zinc/73/03/17/850730317.db2.gz ASAHZCCOGFZUBM-UHFFFAOYSA-N 0 1 391.519 3.508 20 10 GHCDMN Cc1nc([C@@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)n[nH]1 ZINC000894777759 852179037 /nfs/dbraw/zinc/17/90/37/852179037.db2.gz LGIRHKNYFSANIQ-GFCCVEGCSA-N 0 1 378.318 3.717 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000150800073 852405065 /nfs/dbraw/zinc/40/50/65/852405065.db2.gz LEQGEJSINJSINX-DZGCQCFKSA-N 0 1 394.487 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000150800073 852405070 /nfs/dbraw/zinc/40/50/70/852405070.db2.gz LEQGEJSINJSINX-DZGCQCFKSA-N 0 1 394.487 3.859 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000150800073 852405072 /nfs/dbraw/zinc/40/50/72/852405072.db2.gz LEQGEJSINJSINX-DZGCQCFKSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1O)N1CCCCC1 ZINC000056932328 855133738 /nfs/dbraw/zinc/13/37/38/855133738.db2.gz VZZYSXUHYNNXOP-FQEVSTJZSA-N 0 1 397.519 3.769 20 10 GHCDMN COc1cc(Cl)cc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280812749 855297855 /nfs/dbraw/zinc/29/78/55/855297855.db2.gz UKFMMEJLWDYSNR-UGSOOPFHSA-N 0 1 397.924 3.627 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]c3cc(OC)ccc3c2=O)cc1 ZINC000729512051 855726623 /nfs/dbraw/zinc/72/66/23/855726623.db2.gz BKWKBTNAWYPKDV-UHFFFAOYSA-N 0 1 393.487 3.655 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nc(C)n[nH]3)C2)c(C)n1-c1cccc(F)c1 ZINC000760964306 856828328 /nfs/dbraw/zinc/82/83/28/856828328.db2.gz ZJSORARZCSXHOB-KRWDZBQOSA-N 0 1 395.482 3.722 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1cccc(F)c1 ZINC000760964306 856828334 /nfs/dbraw/zinc/82/83/34/856828334.db2.gz ZJSORARZCSXHOB-KRWDZBQOSA-N 0 1 395.482 3.722 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706868288 857930457 /nfs/dbraw/zinc/93/04/57/857930457.db2.gz ATKUPPJBTOXEEV-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227022202 858379379 /nfs/dbraw/zinc/37/93/79/858379379.db2.gz HMOUXBDSPTYAEA-AWEZNQCLSA-N 0 1 385.302 3.644 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3cccs3)N(C)C)ccc21 ZINC000484914200 860483679 /nfs/dbraw/zinc/48/36/79/860483679.db2.gz DJZMYAYGMMNACH-FQEVSTJZSA-N 0 1 399.560 3.999 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)N[C@@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000730157389 860901889 /nfs/dbraw/zinc/90/18/89/860901889.db2.gz RUQLXGWOYNSYRF-QFBILLFUSA-N 0 1 392.588 3.510 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(\C)c3ccccc3)cc2F)CC1 ZINC000730193598 860935761 /nfs/dbraw/zinc/93/57/61/860935761.db2.gz NPXOZQYGNVSUPM-OBGWFSINSA-N 0 1 381.495 3.687 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)sc3C)cc2F)CC1 ZINC000730194642 860937390 /nfs/dbraw/zinc/93/73/90/860937390.db2.gz SXGIDUAEEIUGTK-UHFFFAOYSA-N 0 1 375.513 3.576 20 10 GHCDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000730228697 860954297 /nfs/dbraw/zinc/95/42/97/860954297.db2.gz WEVVSSVPTDRXPN-GOSISDBHSA-N 0 1 396.579 3.583 20 10 GHCDMN CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CC1 ZINC000735383834 864764728 /nfs/dbraw/zinc/76/47/28/864764728.db2.gz OBOMNQKPJPETLN-GOSISDBHSA-N 0 1 390.547 3.689 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CNCc1nc2c(s1)COCC2 ZINC000897237702 864912917 /nfs/dbraw/zinc/91/29/17/864912917.db2.gz ALTQWCSZIGXDFA-UHFFFAOYSA-N 0 1 382.485 3.790 20 10 GHCDMN CCN1CCN(c2ccc(CNc3nc4ccccc4cc3CO)cc2F)CC1 ZINC000301347848 865303288 /nfs/dbraw/zinc/30/32/88/865303288.db2.gz HSGBLJZQVGDZSJ-UHFFFAOYSA-N 0 1 394.494 3.620 20 10 GHCDMN COC(=O)c1cc2ccc(NCc3cc(Cl)c4cccnc4c3O)nc2[nH]1 ZINC001168527145 865446683 /nfs/dbraw/zinc/44/66/83/865446683.db2.gz DIOGZZKQBJUHHM-UHFFFAOYSA-N 0 1 382.807 3.869 20 10 GHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000127187908 866031195 /nfs/dbraw/zinc/03/11/95/866031195.db2.gz DRZOEOFFDYFLCO-CYBMUJFWSA-N 0 1 387.281 3.928 20 10 GHCDMN CCN(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@H](C)C(C)C ZINC000303338299 866160526 /nfs/dbraw/zinc/16/05/26/866160526.db2.gz VOGDXEXCOGKDAW-QGZVFWFLSA-N 0 1 378.536 3.544 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000920430243 882123452 /nfs/dbraw/zinc/12/34/52/882123452.db2.gz TVNGHDYMQMODDG-PMACEKPBSA-N 0 1 387.568 3.540 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NC(CC)(CC)CC)cc2F)CC1 ZINC000745807298 869829583 /nfs/dbraw/zinc/82/95/83/869829583.db2.gz BTDGBBGOENGBOO-UHFFFAOYSA-N 0 1 378.536 3.736 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](C)CCC[C@@H]3C)cc2F)CC1 ZINC000745808047 869831001 /nfs/dbraw/zinc/83/10/01/869831001.db2.gz JVYMQDYOEXHRPM-ROUUACIJSA-N 0 1 390.547 3.688 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525576 870380885 /nfs/dbraw/zinc/38/08/85/870380885.db2.gz XADZRYYCQSAWNY-MOPGFXCFSA-N 0 1 388.895 3.896 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000775581829 870973489 /nfs/dbraw/zinc/97/34/89/870973489.db2.gz RKVIBCHZGHEQTD-AVGNSLFASA-N 0 1 385.302 3.672 20 10 GHCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(Cl)c1 ZINC001193352377 871037606 /nfs/dbraw/zinc/03/76/06/871037606.db2.gz DZVCJNWUEZUTPT-UHFFFAOYSA-N 0 1 390.848 3.958 20 10 GHCDMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193612643 871187351 /nfs/dbraw/zinc/18/73/51/871187351.db2.gz QPCLGNAJRLASAJ-UHFFFAOYSA-N 0 1 375.730 3.922 20 10 GHCDMN Cc1cc(CCNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001169944285 872031727 /nfs/dbraw/zinc/03/17/27/872031727.db2.gz QQESWHIKOVFSFQ-QRQCRPRQSA-N 0 1 376.504 3.842 20 10 GHCDMN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775656512 872389410 /nfs/dbraw/zinc/38/94/10/872389410.db2.gz VSPOASXYOLXJSQ-QGZVFWFLSA-N 0 1 378.831 3.796 20 10 GHCDMN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775656511 872389838 /nfs/dbraw/zinc/38/98/38/872389838.db2.gz VSPOASXYOLXJSQ-KRWDZBQOSA-N 0 1 378.831 3.796 20 10 GHCDMN COc1cc2c(cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@@H](C)C2 ZINC000768162181 873122675 /nfs/dbraw/zinc/12/26/75/873122675.db2.gz NEMQNNQCGXWJRY-JXFKEZNVSA-N 0 1 383.488 3.905 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000768247589 873187688 /nfs/dbraw/zinc/18/76/88/873187688.db2.gz BYPXCISNKMVIDM-CYBMUJFWSA-N 0 1 385.302 3.596 20 10 GHCDMN CC(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC12CCCCC2 ZINC000775736053 873301032 /nfs/dbraw/zinc/30/10/32/873301032.db2.gz JYNWPQGOIRZYAF-UHFFFAOYSA-N 0 1 395.341 3.830 20 10 GHCDMN COc1ccc(N2CCN(C[C@@H](OC(C)C)c3ccccc3)CC2)c(OC)c1 ZINC001197104627 873600461 /nfs/dbraw/zinc/60/04/61/873600461.db2.gz JBTIPOBCHQWSKX-HSZRJFAPSA-N 0 1 384.520 3.992 20 10 GHCDMN C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@@H]21 ZINC001197178851 873616777 /nfs/dbraw/zinc/61/67/77/873616777.db2.gz RHRUBYAPXBZDSP-NWJCHKQYSA-N 0 1 384.505 3.817 20 10 GHCDMN CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@@H]21 ZINC001197178851 873616779 /nfs/dbraw/zinc/61/67/79/873616779.db2.gz RHRUBYAPXBZDSP-NWJCHKQYSA-N 0 1 384.505 3.817 20 10 GHCDMN CN1C[C@H]2CCCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]2C1 ZINC001197176309 873640462 /nfs/dbraw/zinc/64/04/62/873640462.db2.gz QMMMAFZPMMKHSI-SWDLQAMJSA-N 0 1 384.505 3.817 20 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/nfs/dbraw/zinc/59/13/79/874591379.db2.gz CBNLCLODQLCUMZ-SFHVURJKSA-N 0 1 394.471 3.932 20 10 GHCDMN Fc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1OCC(F)(F)F ZINC000858105402 882850786 /nfs/dbraw/zinc/85/07/86/882850786.db2.gz GCAKTOXLLHBHCI-UHFFFAOYSA-N 0 1 398.400 3.893 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncc2ccccc21 ZINC000771060723 875016240 /nfs/dbraw/zinc/01/62/40/875016240.db2.gz YNLFAHPLYSCDKA-GOSISDBHSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(Cc1ccc(F)cc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771064712 875017431 /nfs/dbraw/zinc/01/74/31/875017431.db2.gz KRKZXFBUNUYZBX-QGZVFWFLSA-N 0 1 394.849 3.647 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000858160035 882897269 /nfs/dbraw/zinc/89/72/69/882897269.db2.gz ANUQXZKJOQCOIF-MAUKXSAKSA-N 0 1 380.257 3.550 20 10 GHCDMN CN1CCN(c2ccc(-c3nc4cccnc4n3Cc3ccccc3)cc2)CC1 ZINC000771515287 875307538 /nfs/dbraw/zinc/30/75/38/875307538.db2.gz ZYQLMPGAVGYPRP-UHFFFAOYSA-N 0 1 383.499 3.898 20 10 GHCDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771791725 875464000 /nfs/dbraw/zinc/46/40/00/875464000.db2.gz RQQLMBKMHYZOHH-UHFFFAOYSA-N 0 1 384.480 3.818 20 10 GHCDMN OC1CCN(c2ccc(CNCc3sccc3Br)cc2)CC1 ZINC000850406466 876888632 /nfs/dbraw/zinc/88/86/32/876888632.db2.gz HKOOPHFJPIUVCI-UHFFFAOYSA-N 0 1 381.339 3.762 20 10 GHCDMN CC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850498350 876974044 /nfs/dbraw/zinc/97/40/44/876974044.db2.gz ZZDJRCGQRKBODC-WSVYEEACSA-N 0 1 388.249 3.506 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000850503347 876977885 /nfs/dbraw/zinc/97/78/85/876977885.db2.gz WLEHDOAZEIWCRU-QIJZBDPFSA-N 0 1 386.330 3.762 20 10 GHCDMN CCCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000787327699 877348615 /nfs/dbraw/zinc/34/86/15/877348615.db2.gz KRYVUXRZJVKQNR-INIZCTEOSA-N 0 1 386.492 3.957 20 10 GHCDMN COc1cc(O)c(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1OC ZINC000179577814 877729581 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O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000774654953 912651280 /nfs/dbraw/zinc/65/12/80/912651280.db2.gz FATKFUWQPUTDKO-UHFFFAOYSA-N 0 1 381.472 3.721 20 10 GHCDMN CC(C)Oc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000804921183 883450671 /nfs/dbraw/zinc/45/06/71/883450671.db2.gz YNDCEDHSIKPOQY-UHFFFAOYSA-N 0 1 384.263 3.881 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2cnccc21 ZINC000805134574 883615223 /nfs/dbraw/zinc/61/52/23/883615223.db2.gz CUOSUKIXOCMIJI-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN O=S(=O)(/C=C\c1ccc(F)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000805135876 883616703 /nfs/dbraw/zinc/61/67/03/883616703.db2.gz VLKJGAIANRGGNA-WAYWQWQTSA-N 0 1 376.236 3.928 20 10 GHCDMN C[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000805235606 883679922 /nfs/dbraw/zinc/67/99/22/883679922.db2.gz DMUYOPSEYFJYQQ-IRXDYDNUSA-N 0 1 394.302 3.944 20 10 GHCDMN C[C@@H](CCO)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805258007 883722657 /nfs/dbraw/zinc/72/26/57/883722657.db2.gz HQCVNXAAQSJHNB-NSHDSACASA-N 0 1 375.296 3.687 20 10 GHCDMN C[S@@](=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000806307593 884552174 /nfs/dbraw/zinc/55/21/74/884552174.db2.gz FUZPHGJVGHZSHH-XMMPIXPASA-N 0 1 391.251 3.897 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C)n1-c1ccccn1 ZINC000914848247 884936583 /nfs/dbraw/zinc/93/65/83/884936583.db2.gz OCJORFFJUCEGEI-SFHVURJKSA-N 0 1 388.515 3.666 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000914848934 884940666 /nfs/dbraw/zinc/94/06/66/884940666.db2.gz AIWWRIWOFFWPDN-UHFFFAOYSA-N 0 1 388.515 3.837 20 10 GHCDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1C ZINC000762000775 885163882 /nfs/dbraw/zinc/16/38/82/885163882.db2.gz OWWMKGZDASZSPW-UHFFFAOYSA-N 0 1 380.422 3.505 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncc(Br)s1 ZINC000807838886 885769024 /nfs/dbraw/zinc/76/90/24/885769024.db2.gz SVOZSZKZZHUDMP-UHFFFAOYSA-N 0 1 382.066 3.848 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000807838932 885769818 /nfs/dbraw/zinc/76/98/18/885769818.db2.gz CYQGOTAMSNRUOO-UHFFFAOYSA-N 0 1 396.255 3.968 20 10 GHCDMN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807833848 885798546 /nfs/dbraw/zinc/79/85/46/885798546.db2.gz GRGRCEMRQLIHEC-CYBMUJFWSA-N 0 1 391.295 3.865 20 10 GHCDMN COc1ccc2c(c1)OC[C@@H]2CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837383 885802233 /nfs/dbraw/zinc/80/22/33/885802233.db2.gz NVJPIGOAPOIRCA-NSHDSACASA-N 0 1 382.243 3.890 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000807837604 885802545 /nfs/dbraw/zinc/80/25/45/885802545.db2.gz XNBYNIQJZZTCTL-NSHDSACASA-N 0 1 397.233 3.507 20 10 GHCDMN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839491 885805844 /nfs/dbraw/zinc/80/58/44/885805844.db2.gz NVZHVDPUEAWWMA-LLVKDONJSA-N 0 1 387.307 3.600 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(Br)ccc1F ZINC000807839318 885806207 /nfs/dbraw/zinc/80/62/07/885806207.db2.gz KYGZGOOYFXDTKA-UHFFFAOYSA-N 0 1 394.027 3.926 20 10 GHCDMN O=C(CC1CCCC1)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862242304 886241632 /nfs/dbraw/zinc/24/16/32/886241632.db2.gz CEIJMKYQJYKIDK-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302369 886287676 /nfs/dbraw/zinc/28/76/76/886287676.db2.gz RLVGEIJHSRLWBH-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302369 886287700 /nfs/dbraw/zinc/28/77/00/886287700.db2.gz RLVGEIJHSRLWBH-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN COc1ccc(C2CC[NH+](Cc3c([O-])cccc3Br)CC2)nc1 ZINC000862401273 886353890 /nfs/dbraw/zinc/35/38/90/886353890.db2.gz MNXLHHBAACZJGB-UHFFFAOYSA-N 0 1 377.282 3.938 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000808455279 886366843 /nfs/dbraw/zinc/36/68/43/886366843.db2.gz ZJCHVBPGRYQQOR-LJQANCHMSA-N 0 1 378.875 3.793 20 10 GHCDMN Cc1cc(Cl)cc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1O ZINC000808712028 886694650 /nfs/dbraw/zinc/69/46/50/886694650.db2.gz ZJBFAZZPRCLSOU-IFXJQAMLSA-N 0 1 387.911 3.977 20 10 GHCDMN C[C@H](NCc1cc2c(cc1Cl)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000808744238 886758211 /nfs/dbraw/zinc/75/82/11/886758211.db2.gz XMPGCCNGQQMHNZ-HNNXBMFYSA-N 0 1 388.895 3.799 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+](C)CC2(C)COC2)c(=O)c1-c1ccccc1 ZINC000863298411 887011710 /nfs/dbraw/zinc/01/17/10/887011710.db2.gz DAKIMIJSCXBXMC-UHFFFAOYSA-N 0 1 379.456 3.942 20 10 GHCDMN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000863340254 887044822 /nfs/dbraw/zinc/04/48/22/887044822.db2.gz MCYBSTPTMTZDJS-ZRHASKPBSA-N 0 1 386.536 3.605 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)cc1 ZINC000915683751 887301322 /nfs/dbraw/zinc/30/13/22/887301322.db2.gz FCQSZLQTDOLDHK-UHFFFAOYSA-N 0 1 394.523 3.545 20 10 GHCDMN C=Cc1ccc(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])cc1 ZINC001184362224 913146904 /nfs/dbraw/zinc/14/69/04/913146904.db2.gz XUTYHWYPEGVMIN-UHFFFAOYSA-N 0 1 378.428 3.521 20 10 GHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809702835 887718895 /nfs/dbraw/zinc/71/88/95/887718895.db2.gz ZAJFDLPHYHDKIH-UHFFFAOYSA-N 0 1 388.811 3.678 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000809704739 887725155 /nfs/dbraw/zinc/72/51/55/887725155.db2.gz IVWJKXVIIZDIEQ-AWEZNQCLSA-N 0 1 382.220 3.742 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227525 888304415 /nfs/dbraw/zinc/30/44/15/888304415.db2.gz WXQQHFFSFPUWGM-MRXNPFEDSA-N 0 1 399.434 3.982 20 10 GHCDMN COc1cncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C ZINC000865417240 888334706 /nfs/dbraw/zinc/33/47/06/888334706.db2.gz DKHRRKVNZROSMO-UHFFFAOYSA-N 0 1 395.425 3.544 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(Cl)c(F)c3)cc2F)C[C@H](C)O1 ZINC000865418956 888336585 /nfs/dbraw/zinc/33/65/85/888336585.db2.gz QISRSKKWEDJDPJ-BETUJISGSA-N 0 1 381.854 3.917 20 10 GHCDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1nnc(C2CCOCC2)[nH]1 ZINC000866439961 888878879 /nfs/dbraw/zinc/87/88/79/888878879.db2.gz BPKUSBVKAJYDMX-HXUWFJFHSA-N 0 1 392.503 3.868 20 10 GHCDMN CCOC(=O)c1cc(CN[C@@H](CC)c2cc(Br)ccc2O)on1 ZINC000866515757 888912825 /nfs/dbraw/zinc/91/28/25/888912825.db2.gz MNDNICFWDALHJV-ZDUSSCGKSA-N 0 1 383.242 3.560 20 10 GHCDMN CN(c1ccc(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1)C1CCCCC1 ZINC000811869638 890065304 /nfs/dbraw/zinc/06/53/04/890065304.db2.gz UBTFQDYKNSUWBP-QGZVFWFLSA-N 0 1 381.524 3.535 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000917088020 891068631 /nfs/dbraw/zinc/06/86/31/891068631.db2.gz KSFVKOYGJMLSJT-IBGZPJMESA-N 0 1 385.552 3.603 20 10 GHCDMN COc1ccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)cc1Cn1cccn1 ZINC000873139956 891482612 /nfs/dbraw/zinc/48/26/12/891482612.db2.gz HIXZBZQMEIQFIE-OAQYLSRUSA-N 0 1 399.498 3.903 20 10 GHCDMN Cc1cc(CCNC(=O)c2cn[nH]c2-c2ccccn2)c(C)n1-c1ccccc1 ZINC000813390113 891603570 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959789374 /nfs/dbraw/zinc/78/93/74/959789374.db2.gz DLNGTNQVFCCPTE-HNNXBMFYSA-N 0 1 376.250 3.647 20 10 GHCDMN Cc1cc(Br)c(O)c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594269907 959789401 /nfs/dbraw/zinc/78/94/01/959789401.db2.gz DLNGTNQVFCCPTE-HNNXBMFYSA-N 0 1 376.250 3.647 20 10 GHCDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840997397 979299192 /nfs/dbraw/zinc/29/91/92/979299192.db2.gz CLUTVLCOGGGIIM-QGZVFWFLSA-N 0 1 381.314 3.879 20 10 GHCDMN COc1cc(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)c(O)c(C(C)(C)C)c1 ZINC001599408063 997366791 /nfs/dbraw/zinc/36/67/91/997366791.db2.gz FAYGFYOFSDXCIO-UHFFFAOYSA-N 0 1 399.487 3.963 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)c2ccccc2OC)c1O ZINC001227493188 1032439829 /nfs/dbraw/zinc/43/98/29/1032439829.db2.gz FGKXNVPVVOKWHI-LLVKDONJSA-N 0 1 394.445 3.956 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(OC[C@H](C)Oc2ccccc2)c1O ZINC001227495286 1032440799 /nfs/dbraw/zinc/44/07/99/1032440799.db2.gz OKYSFMLAXCWGCJ-LBPRGKRZSA-N 0 1 394.445 3.653 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)COc2ccccc2)c1O ZINC001227494046 1032441112 /nfs/dbraw/zinc/44/11/12/1032441112.db2.gz NHFXSNDMZCAYGX-LBPRGKRZSA-N 0 1 394.445 3.653 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2Cc3cccc4cccc2c34)c1O ZINC001227620874 1032489229 /nfs/dbraw/zinc/48/92/29/1032489229.db2.gz WAQLSZCJBOZOCS-CYBMUJFWSA-N 0 1 384.409 3.856 20 10 GHCDMN CCc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC001204239241 1032683540 /nfs/dbraw/zinc/68/35/40/1032683540.db2.gz UALLUDRZIACQHB-HXUWFJFHSA-N 0 1 380.488 3.883 20 10 GHCDMN COc1cc(Br)cc([C@H](C)NCc2cc(C3CC3)n(C)n2)c1O ZINC000927107149 1017357357 /nfs/dbraw/zinc/35/73/57/1017357357.db2.gz HATVQUJIQFEJOT-JTQLQIEISA-N 0 1 380.286 3.625 20 10 GHCDMN CC(C)C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204277742 1032718560 /nfs/dbraw/zinc/71/85/60/1032718560.db2.gz KHEQAGSCZCROQV-QGZVFWFLSA-N 0 1 378.513 3.955 20 10 GHCDMN CC(C)C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001204277742 1032718577 /nfs/dbraw/zinc/71/85/77/1032718577.db2.gz KHEQAGSCZCROQV-QGZVFWFLSA-N 0 1 378.513 3.955 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001204338249 1032780039 /nfs/dbraw/zinc/78/00/39/1032780039.db2.gz BEQLYMFUGYVOET-MRXNPFEDSA-N 0 1 396.256 3.956 20 10 GHCDMN CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1=O ZINC001140465539 1021761271 /nfs/dbraw/zinc/76/12/71/1021761271.db2.gz PPJRIPGSGKQPAE-IBGZPJMESA-N 0 1 384.907 3.884 20 10 GHCDMN CC(=O)N1CCC([N@@H+](C/C=C/c2ccc(N(C)C)cc2)Cc2cncs2)CC1 ZINC000835057217 1021826953 /nfs/dbraw/zinc/82/69/53/1021826953.db2.gz ZBAGVFYLYXGVQV-SNAWJCMRSA-N 0 1 398.576 3.735 20 10 GHCDMN CC(=O)N1CCC(N(C/C=C/c2ccc(N(C)C)cc2)Cc2cncs2)CC1 ZINC000835057217 1021826973 /nfs/dbraw/zinc/82/69/73/1021826973.db2.gz ZBAGVFYLYXGVQV-SNAWJCMRSA-N 0 1 398.576 3.735 20 10 GHCDMN c1ccc2c(c1)n[nH]c2CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001137353012 1021932914 /nfs/dbraw/zinc/93/29/14/1021932914.db2.gz HGEGGYFTUQWHGJ-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001140584218 1022007334 /nfs/dbraw/zinc/00/73/34/1022007334.db2.gz JIFGHTYWXBMWTP-IRXDYDNUSA-N 0 1 375.415 3.839 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000754319047 1022615803 /nfs/dbraw/zinc/61/58/03/1022615803.db2.gz XNGAAMBWDHMAQP-DZGCQCFKSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1ccc(OC2CCN(Cc3ccc(N(C)C)cc3Cl)CC2)nc1 ZINC001140926727 1022902845 /nfs/dbraw/zinc/90/28/45/1022902845.db2.gz RURWQXDSZOZXRK-UHFFFAOYSA-N 0 1 375.900 3.853 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)Cc3nc(-c4ccccc4F)no3)cc12 ZINC001204834684 1033113352 /nfs/dbraw/zinc/11/33/52/1033113352.db2.gz MZDKHWAFKUTBIZ-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)Cc3nc(-c4ccccc4F)no3)cc12 ZINC001204834684 1033113360 /nfs/dbraw/zinc/11/33/60/1033113360.db2.gz MZDKHWAFKUTBIZ-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc(O)c(CN(C)Cc3nc(-c4ccccc4F)no3)cc12 ZINC001204834684 1033113370 /nfs/dbraw/zinc/11/33/70/1033113370.db2.gz MZDKHWAFKUTBIZ-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN COc1cccc(C(=O)C2CCN(Cc3c(O)cc(OC)cc3OC)CC2)c1 ZINC001141026543 1023256620 /nfs/dbraw/zinc/25/66/20/1023256620.db2.gz UPTAMPJKOKXQEC-UHFFFAOYSA-N 0 1 385.460 3.513 20 10 GHCDMN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000756397585 1023628773 /nfs/dbraw/zinc/62/87/73/1023628773.db2.gz VPPPTYHLRKERCG-INIZCTEOSA-N 0 1 395.503 3.841 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000756414002 1023635499 /nfs/dbraw/zinc/63/54/99/1023635499.db2.gz HKMUWARKZLRGHC-LBPRGKRZSA-N 0 1 383.330 3.842 20 10 GHCDMN COc1cc(C[C@H](CO)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000756635721 1023747906 /nfs/dbraw/zinc/74/79/06/1023747906.db2.gz HGJUIXRALBNZOY-HIFRSBDPSA-N 0 1 379.884 3.565 20 10 GHCDMN CSc1nc2ccsc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156656060 1033159148 /nfs/dbraw/zinc/15/91/48/1033159148.db2.gz NKLVHLWBXXIWTG-UHFFFAOYSA-N 0 1 385.562 3.777 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756673936 1023769305 /nfs/dbraw/zinc/76/93/05/1023769305.db2.gz CVRLEHDVEYDIGZ-GUYCJALGSA-N 0 1 389.293 3.606 20 10 GHCDMN Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n[nH]1 ZINC000756699263 1023779469 /nfs/dbraw/zinc/77/94/69/1023779469.db2.gz FHKHWYDNSWHEMZ-UHFFFAOYSA-N 0 1 383.423 3.542 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000756762915 1023805452 /nfs/dbraw/zinc/80/54/52/1023805452.db2.gz SZRRSRMKJHYXAJ-BLLLJJGKSA-N 0 1 381.314 3.739 20 10 GHCDMN CN1CCN(c2ccc(CNc3ncnc4[nH]c5cc(F)ccc5c43)cc2)CC1 ZINC001156659614 1033163075 /nfs/dbraw/zinc/16/30/75/1033163075.db2.gz NHENFQVKPRETAW-UHFFFAOYSA-N 0 1 390.466 3.614 20 10 GHCDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367813 1024740915 /nfs/dbraw/zinc/74/09/15/1024740915.db2.gz RLOTVGDWTFNZLC-NXEZZACHSA-N 0 1 376.678 3.582 20 10 GHCDMN COc1ccc([C@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138497322 1024929274 /nfs/dbraw/zinc/92/92/74/1024929274.db2.gz FPXZPGINYCPUTM-JOCHJYFZSA-N 0 1 384.545 3.822 20 10 GHCDMN CCOCc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000832058932 1025189749 /nfs/dbraw/zinc/18/97/49/1025189749.db2.gz GOQXQKHMZAFABT-UHFFFAOYSA-N 0 1 375.277 3.930 20 10 GHCDMN CC(C)C(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001205194709 1033293756 /nfs/dbraw/zinc/29/37/56/1033293756.db2.gz HTECRLXLUSITAB-UHFFFAOYSA-N 0 1 394.519 3.599 20 10 GHCDMN COc1cccc([C@H]2C[C@H](N(C)CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000832573964 1025729590 /nfs/dbraw/zinc/72/95/90/1025729590.db2.gz CFRLUINTBMSCGH-AQYVVDRMSA-N 0 1 395.547 3.598 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001139127743 1025940141 /nfs/dbraw/zinc/94/01/41/1025940141.db2.gz OQWVSMGHNUKXDY-PLMTUMEDSA-N 0 1 383.488 3.834 20 10 GHCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1S(=O)(=O)C1CCCC1 ZINC000832850820 1026033481 /nfs/dbraw/zinc/03/34/81/1026033481.db2.gz OVSSUCCNLCCFNH-UHFFFAOYSA-N 0 1 393.436 3.514 20 10 GHCDMN Cc1n[nH]c([C@@H]2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)n1 ZINC000839659575 1026178541 /nfs/dbraw/zinc/17/85/41/1026178541.db2.gz MIXGTLMLFJEARX-MRXNPFEDSA-N 0 1 389.463 3.957 20 10 GHCDMN Cc1nnc([C@@H]2CCN(CC(=O)Nc3ccc(N=Nc4ccccc4)cc3)C2)[nH]1 ZINC000839659575 1026178546 /nfs/dbraw/zinc/17/85/46/1026178546.db2.gz MIXGTLMLFJEARX-MRXNPFEDSA-N 0 1 389.463 3.957 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc(F)cc(F)c3OC)CC2)cc1 ZINC001164334127 1026489272 /nfs/dbraw/zinc/48/92/72/1026489272.db2.gz OCKBFZQYTOYQNC-UHFFFAOYSA-N 0 1 391.462 3.606 20 10 GHCDMN Oc1ccc(F)cc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001140056383 1026836895 /nfs/dbraw/zinc/83/68/95/1026836895.db2.gz UOADOEFBICLGIW-UHFFFAOYSA-N 0 1 393.462 3.828 20 10 GHCDMN CCOC(=O)c1cc2cc(N3CCN(Cc4cc(F)ccc4O)CC3)ccc2o1 ZINC001140058978 1026838374 /nfs/dbraw/zinc/83/83/74/1026838374.db2.gz RVIQXDKGZCCQAU-UHFFFAOYSA-N 0 1 398.434 3.776 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100331 1026877949 /nfs/dbraw/zinc/87/79/49/1026877949.db2.gz LKLYXGPRZSGMCZ-UHFFFAOYSA-N 0 1 397.313 3.598 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100331 1026877954 /nfs/dbraw/zinc/87/79/54/1026877954.db2.gz LKLYXGPRZSGMCZ-UHFFFAOYSA-N 0 1 397.313 3.598 20 10 GHCDMN COC(=O)CCN(Cc1ccccc1)Cc1c(O)cccc1Br ZINC001140100832 1026879956 /nfs/dbraw/zinc/87/99/56/1026879956.db2.gz DLEULDBQLXLBAG-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[NH+](Cc2c([O-])cccc2Br)CCC1 ZINC001140102973 1026883604 /nfs/dbraw/zinc/88/36/04/1026883604.db2.gz BUMOITIZOJCNEX-UHFFFAOYSA-N 0 1 399.329 3.988 20 10 GHCDMN COC(=O)c1ccccc1N1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203582081 1027451010 /nfs/dbraw/zinc/45/10/10/1027451010.db2.gz PMTLWUBRWNHEDQ-UHFFFAOYSA-N 0 1 395.286 3.808 20 10 GHCDMN COc1cccc(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1O ZINC001203599524 1027462749 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ZINC001237211029 1042092894 /nfs/dbraw/zinc/09/28/94/1042092894.db2.gz DTDATKNUOUTUAN-UHFFFAOYSA-N 0 1 396.597 3.808 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2C1 ZINC001237621625 1042288233 /nfs/dbraw/zinc/28/82/33/1042288233.db2.gz DEKKYUSVTAPYCK-TZMCWYRMSA-N 0 1 384.879 3.874 20 10 GHCDMN Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(Cl)cc(F)c4[O-])CC[N@H+]3C2)cc1 ZINC001237621166 1042288348 /nfs/dbraw/zinc/28/83/48/1042288348.db2.gz WBIMLJUOJYUSFS-IEBWSBKVSA-N 0 1 390.886 3.831 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001237621989 1042288979 /nfs/dbraw/zinc/28/89/79/1042288979.db2.gz KTZDGDGPUVBOOW-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237623599 1042289587 /nfs/dbraw/zinc/28/95/87/1042289587.db2.gz QTAWRAMZHXCEPN-QGZVFWFLSA-N 0 1 376.831 3.623 20 10 GHCDMN COc1ccc(O[C@@H]2CCN(Cc3cc(Br)c(C)cc3O)C2)nc1 ZINC001237684057 1042324646 /nfs/dbraw/zinc/32/46/46/1042324646.db2.gz GFDHEAWIOSTFSQ-OAHLLOKOSA-N 0 1 393.281 3.520 20 10 GHCDMN [O-]c1c(CN2CCC[N@H+]3CCC[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237780761 1042365565 /nfs/dbraw/zinc/36/55/65/1042365565.db2.gz FTOCLGGPXMSUOF-ZDUSSCGKSA-N 0 1 393.247 3.844 20 10 GHCDMN NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237798482 1042375556 /nfs/dbraw/zinc/37/55/56/1042375556.db2.gz GNDWYWDYUBUPBZ-MSOLQXFVSA-N 0 1 376.859 3.808 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237805323 1042379688 /nfs/dbraw/zinc/37/96/88/1042379688.db2.gz LLFPCSUCRHSNOM-DRXBFXEBSA-N 0 1 384.879 3.920 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951468 1043770036 /nfs/dbraw/zinc/77/00/36/1043770036.db2.gz KDJGOFCPOCNLFU-UHFFFAOYSA-N 0 1 387.351 3.712 20 10 GHCDMN Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cc4cc(O)c(O)cc4oc3=O)o2)cc1 ZINC001257227358 1043942566 /nfs/dbraw/zinc/94/25/66/1043942566.db2.gz NBQSHXIZTYBCFF-ZIAGYGMSSA-N 0 1 376.368 3.834 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)CCC(C)(C)C)C1 ZINC001296990016 1045419750 /nfs/dbraw/zinc/41/97/50/1045419750.db2.gz LAQINYGGRRQNTF-GOSISDBHSA-N 0 1 399.579 3.711 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC001299718164 1045777946 /nfs/dbraw/zinc/77/79/46/1045777946.db2.gz HNDOKKQZWRMIEB-KUPRMMGYSA-N 0 1 395.846 3.662 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c1 ZINC001279648828 1047891080 /nfs/dbraw/zinc/89/10/80/1047891080.db2.gz UZAYQIJRBIYXAJ-ROUUACIJSA-N 0 1 390.325 3.640 20 10 GHCDMN Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C3)c1C ZINC001279971590 1048021401 /nfs/dbraw/zinc/02/14/01/1048021401.db2.gz DPUBQATXNDCHMI-KZULUSFZSA-N 0 1 396.274 3.764 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001290477071 1049851391 /nfs/dbraw/zinc/85/13/91/1049851391.db2.gz KWUXLWURAJBAFH-WOJBJXKFSA-N 0 1 383.536 3.632 20 10 GHCDMN COc1cc(C)c(CN2CCN([C@H](C)c3ccc(F)cc3F)CC2)c(O)c1 ZINC001308584805 1050020078 /nfs/dbraw/zinc/02/00/78/1050020078.db2.gz QAUYTVPXOVEPRW-OAHLLOKOSA-N 0 1 376.447 3.866 20 10 GHCDMN CN(CC(=O)Nc1ccccc1Br)Cc1cc(F)cc(F)c1O ZINC001308597990 1050026137 /nfs/dbraw/zinc/02/61/37/1050026137.db2.gz KQDQQEOJWJSZPF-UHFFFAOYSA-N 0 1 385.208 3.503 20 10 GHCDMN Cc1ccc(S(=O)(=O)C2CCN(Cc3cc(Cl)c(F)cc3O)CC2)cc1 ZINC001308928846 1050185618 /nfs/dbraw/zinc/18/56/18/1050185618.db2.gz MDNAXHPPTNHDFT-UHFFFAOYSA-N 0 1 397.899 3.931 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC001329158637 1050737183 /nfs/dbraw/zinc/73/71/83/1050737183.db2.gz UXVYKNJYLQSILM-UHFFFAOYSA-N 0 1 394.284 3.863 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC001330268099 1050989260 /nfs/dbraw/zinc/98/92/60/1050989260.db2.gz XCTVSRDBFQBBET-UHFFFAOYSA-N 0 1 383.883 3.885 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnnn1-c1ccccc1 ZINC001310919884 1051707490 /nfs/dbraw/zinc/70/74/90/1051707490.db2.gz CBKGPWKQXSWJKR-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2c([O-])cccc2Br)CCCN1C1CCCCC1 ZINC001334903299 1052005124 /nfs/dbraw/zinc/00/51/24/1052005124.db2.gz SUWXZAHQLIEMDQ-MRXNPFEDSA-N 0 1 381.314 3.568 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)cc2Cl)C1 ZINC001312585827 1052801040 /nfs/dbraw/zinc/80/10/40/1052801040.db2.gz LCOACZCUWBXMAL-ZACQAIPSSA-N 0 1 392.975 3.810 20 10 GHCDMN Cc1cccc(F)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001319877859 1055516255 /nfs/dbraw/zinc/51/62/55/1055516255.db2.gz HNIWYPZIAPPXDU-MRXNPFEDSA-N 0 1 376.859 3.888 20 10 GHCDMN CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC001320396754 1055786715 /nfs/dbraw/zinc/78/67/15/1055786715.db2.gz DFPADJHNFIABOF-BBRMVZONSA-N 0 1 383.330 3.844 20 10 GHCDMN Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])n1 ZINC001323321887 1056953478 /nfs/dbraw/zinc/95/34/78/1056953478.db2.gz KBRWLXPJHIMIHK-HNNXBMFYSA-N 0 1 376.298 3.935 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCN1Cc1ccncc1 ZINC001324104390 1057070706 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BWOKQADORBOYLG-UHFFFAOYSA-N 0 1 389.810 3.651 20 10 GHCDMN CN(C)c1ccc([C@H](CN[C@@H]2CCCc3c[nH]nc32)NC(=O)OC(C)(C)C)cc1 ZINC000857863064 882596534 /nfs/dbraw/zinc/59/65/34/882596534.db2.gz PQPRFEDRHDROEV-MOPGFXCFSA-N 0 1 399.539 3.709 20 10 GHCDMN Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775649958 872352929 /nfs/dbraw/zinc/35/29/29/872352929.db2.gz VMICTIXGHUBLGO-UHFFFAOYSA-N 0 1 376.859 3.841 20 10 GHCDMN Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775649958 872352946 /nfs/dbraw/zinc/35/29/46/872352946.db2.gz VMICTIXGHUBLGO-UHFFFAOYSA-N 0 1 376.859 3.841 20 10 GHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657485 872390975 /nfs/dbraw/zinc/39/09/75/872390975.db2.gz BMIFSCNHKKRDCJ-CQSZACIVSA-N 0 1 389.801 3.936 20 10 GHCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H]1CCCCO1 ZINC000775661436 872464160 /nfs/dbraw/zinc/46/41/60/872464160.db2.gz NQSGIAJSZRSIDF-LBPRGKRZSA-N 0 1 393.119 3.918 20 10 GHCDMN CCc1cccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000768017792 873027648 /nfs/dbraw/zinc/02/76/48/873027648.db2.gz RRECPYHYGIVHQB-UHFFFAOYSA-N 0 1 387.549 3.580 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])CC1(O)CCCC1 ZINC000775709245 873035940 /nfs/dbraw/zinc/03/59/40/873035940.db2.gz RJYDPBBLWOJVMM-UHFFFAOYSA-N 0 1 393.119 3.654 20 10 GHCDMN O=C(c1cc2occc2s1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775713233 873062877 /nfs/dbraw/zinc/06/28/77/873062877.db2.gz HRBDVKXZSGJDBO-UHFFFAOYSA-N 0 1 394.855 3.950 20 10 GHCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000768446600 873309556 /nfs/dbraw/zinc/30/95/56/873309556.db2.gz ZBTDUHAOYPBEOA-REWPJTCUSA-N 0 1 396.531 3.695 20 10 GHCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000768446600 873309570 /nfs/dbraw/zinc/30/95/70/873309570.db2.gz ZBTDUHAOYPBEOA-REWPJTCUSA-N 0 1 396.531 3.695 20 10 GHCDMN Cc1noc([C@H]2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)n1 ZINC000768788477 873578346 /nfs/dbraw/zinc/57/83/46/873578346.db2.gz GTCJWWHIJLRNOC-KRWDZBQOSA-N 0 1 385.468 3.656 20 10 GHCDMN COc1ccc(N2CCN(C[C@H]3[C@H](c4ccccc4)C3(F)F)CC2)c(OC)c1 ZINC001197106098 873602011 /nfs/dbraw/zinc/60/20/11/873602011.db2.gz WYHBEKQLSBCGOV-RXVVDRJESA-N 0 1 388.458 3.875 20 10 GHCDMN Fc1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)ccc1N1CCOCC1 ZINC000769533521 874139758 /nfs/dbraw/zinc/13/97/58/874139758.db2.gz PGFTVHJXVPOJNJ-KRWDZBQOSA-N 0 1 390.886 3.969 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001198354158 874387979 /nfs/dbraw/zinc/38/79/79/874387979.db2.gz ANMMPIQHUVPWQA-IUODEOHRSA-N 0 1 396.915 3.841 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC001198354158 874387994 /nfs/dbraw/zinc/38/79/94/874387994.db2.gz ANMMPIQHUVPWQA-IUODEOHRSA-N 0 1 396.915 3.841 20 10 GHCDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378093 874619225 /nfs/dbraw/zinc/61/92/25/874619225.db2.gz GRVMBTIQEJBFIZ-FZMZJTMJSA-N 0 1 399.875 3.831 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000770390326 874643965 /nfs/dbraw/zinc/64/39/65/874643965.db2.gz XYCZGFXCGBTVME-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1cccc(N2CCOC2=O)c1 ZINC000858109962 882856776 /nfs/dbraw/zinc/85/67/76/882856776.db2.gz DWOHDDZLNUBKIV-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN COc1ccccc1N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858116513 882857549 /nfs/dbraw/zinc/85/75/49/882857549.db2.gz MVZZQMJRPBZLPE-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771202865 875083059 /nfs/dbraw/zinc/08/30/59/875083059.db2.gz LQFRKNJZXJSRQA-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771202865 875083066 /nfs/dbraw/zinc/08/30/66/875083066.db2.gz LQFRKNJZXJSRQA-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1n1cccn1 ZINC000858173701 882909160 /nfs/dbraw/zinc/90/91/60/882909160.db2.gz FVVJPXDFLOQCAA-OIISXLGYSA-N 0 1 394.313 3.638 20 10 GHCDMN COc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1Cl ZINC000858176045 882910627 /nfs/dbraw/zinc/91/06/27/882910627.db2.gz IWPINRZJNLSRIP-UHFFFAOYSA-N 0 1 382.838 3.753 20 10 GHCDMN Cc1nc2cc(NCc3c(O)cccc3Br)ccc2n1[C@@H](C)CO ZINC000858176173 882910824 /nfs/dbraw/zinc/91/08/24/882910824.db2.gz NNBVQPWFUMXSGS-NSHDSACASA-N 0 1 390.281 3.978 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1F ZINC001202436698 876206898 /nfs/dbraw/zinc/20/68/98/876206898.db2.gz YUZMVJTUOYXQBV-QRQLOZEOSA-N 0 1 378.467 3.514 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccc(OC4CC4)c3F)cc2F)CC1 ZINC000850072960 876637876 /nfs/dbraw/zinc/63/78/76/876637876.db2.gz RVALICYISFBCEA-UHFFFAOYSA-N 0 1 388.458 3.757 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000850540531 877009010 /nfs/dbraw/zinc/00/90/10/877009010.db2.gz MCGGJZYJXDXAPL-DXCKQFNASA-N 0 1 378.314 3.950 20 10 GHCDMN CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850562868 877027842 /nfs/dbraw/zinc/02/78/42/877027842.db2.gz PRTAESISZDTWLU-QAPCUYQASA-N 0 1 386.330 3.763 20 10 GHCDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CCO2 ZINC000850567181 877034276 /nfs/dbraw/zinc/03/42/76/877034276.db2.gz XYLGNSZGGTZFEV-JOCHJYFZSA-N 0 1 382.504 3.660 20 10 GHCDMN Oc1ccc2ccncc2c1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000795668785 912235943 /nfs/dbraw/zinc/23/59/43/912235943.db2.gz QZFWWVMYQMIYLO-LJQANCHMSA-N 0 1 394.475 3.945 20 10 GHCDMN CC(C)(C)n1ncc2c1nc(NCc1cc(Cl)cc(Cl)c1O)nc2N ZINC000853627429 879184512 /nfs/dbraw/zinc/18/45/12/879184512.db2.gz CGSDFCFGGCJTMB-UHFFFAOYSA-N 0 1 381.267 3.788 20 10 GHCDMN C[N@@H+](CCCCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000789762879 879243567 /nfs/dbraw/zinc/24/35/67/879243567.db2.gz XSLDDXAVAXVWOP-UHFFFAOYSA-N 0 1 381.108 3.512 20 10 GHCDMN CC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000093866968 912483533 /nfs/dbraw/zinc/48/35/33/912483533.db2.gz YDWFGLDQNJGIEA-UHFFFAOYSA-N 0 1 387.281 3.962 20 10 GHCDMN CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000093866968 912483542 /nfs/dbraw/zinc/48/35/42/912483542.db2.gz YDWFGLDQNJGIEA-UHFFFAOYSA-N 0 1 387.281 3.962 20 10 GHCDMN CN(Cc1ccc(Br)cc1Cl)Cc1cc2c(cc1O)OC[C@H]2O ZINC000790470391 879743590 /nfs/dbraw/zinc/74/35/90/879743590.db2.gz PICHCZXLNCIUQU-MRXNPFEDSA-N 0 1 398.684 3.866 20 10 GHCDMN C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3c([O-])cccc3Cl)c2)C1=O ZINC000790607432 879880381 /nfs/dbraw/zinc/88/03/81/879880381.db2.gz CIJFSTCUGBDVCG-NRFANRHFSA-N 0 1 399.878 3.560 20 10 GHCDMN Cc1cc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c(C)n1-c1ccccn1 ZINC000791284928 880322728 /nfs/dbraw/zinc/32/27/28/880322728.db2.gz UJMFQSJHGKOWQI-UHFFFAOYSA-N 0 1 376.395 3.666 20 10 GHCDMN CCCCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000152981112 881289780 /nfs/dbraw/zinc/28/97/80/881289780.db2.gz NEYKBIHEYNTQIA-UHFFFAOYSA-N 0 1 383.330 3.673 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000858526602 883173717 /nfs/dbraw/zinc/17/37/17/883173717.db2.gz GFWRPSXQMFXQOT-DOTOQJQBSA-N 0 1 386.492 3.832 20 10 GHCDMN CCN(CC)Cc1ccc(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804734094 883316732 /nfs/dbraw/zinc/31/67/32/883316732.db2.gz CPJKXFKOTZIHCP-UHFFFAOYSA-N 0 1 381.270 3.520 20 10 GHCDMN COc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000805064499 883570992 /nfs/dbraw/zinc/57/09/92/883570992.db2.gz NYYBHROLTCWLKJ-UHFFFAOYSA-N 0 1 387.238 3.889 20 10 GHCDMN O=C(NCCOc1ccc(F)c(F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000805082699 883599686 /nfs/dbraw/zinc/59/96/86/883599686.db2.gz WBMCUHKYJRMGSW-UHFFFAOYSA-N 0 1 391.201 3.855 20 10 GHCDMN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805172238 883655093 /nfs/dbraw/zinc/65/50/93/883655093.db2.gz LEOJFVMFCKCOHE-BZNIZROVSA-N 0 1 375.296 3.949 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000805229807 883676932 /nfs/dbraw/zinc/67/69/32/883676932.db2.gz YDPCUWQJZKMXDU-DAXOMENPSA-N 0 1 385.291 3.846 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[nH]c2c(C)cccc2c1=O ZINC001183705867 912747667 /nfs/dbraw/zinc/74/76/67/912747667.db2.gz BSSSGTBRRKOZRB-MRXNPFEDSA-N 0 1 377.488 3.572 20 10 GHCDMN CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@@H]1CCCCO1 ZINC001130285629 883936172 /nfs/dbraw/zinc/93/61/72/883936172.db2.gz VFUFEJWZSMPGPF-OFNKIYASSA-N 0 1 397.563 3.872 20 10 GHCDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc4cc(O)c(O)cc4s3)cccc21 ZINC000897603342 884045985 /nfs/dbraw/zinc/04/59/85/884045985.db2.gz AITWIIOPRIJFFH-CQSZACIVSA-N 0 1 384.457 3.950 20 10 GHCDMN Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142520497 884476656 /nfs/dbraw/zinc/47/66/56/884476656.db2.gz KQTZTGYEFJLFHA-ZBFHGGJFSA-N 0 1 381.426 3.843 20 10 GHCDMN COc1cccc(-c2cc(CNCc3ccc(N4CCC(O)CC4)cc3)on2)c1 ZINC000897841968 884486785 /nfs/dbraw/zinc/48/67/85/884486785.db2.gz QWOZZSVRBREIFY-UHFFFAOYSA-N 0 1 393.487 3.601 20 10 GHCDMN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806499144 884743272 /nfs/dbraw/zinc/74/32/72/884743272.db2.gz VSGDLZBPPIXLBN-SNVBAGLBSA-N 0 1 399.278 3.648 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)CC(F)F)C1 ZINC000648479257 884801462 /nfs/dbraw/zinc/80/14/62/884801462.db2.gz CMDZAISUOWQHFH-HNNXBMFYSA-N 0 1 377.479 3.815 20 10 GHCDMN Cc1ccc(O)c(CNC(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)c1 ZINC000861165969 885289798 /nfs/dbraw/zinc/28/97/98/885289798.db2.gz CBDJPKOXUVGCNQ-UHFFFAOYSA-N 0 1 395.381 3.509 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000807180587 885305754 /nfs/dbraw/zinc/30/57/54/885305754.db2.gz HTXIGKSILCKQCC-CQSZACIVSA-N 0 1 381.259 3.761 20 10 GHCDMN CC(C)c1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807513303 885498492 /nfs/dbraw/zinc/49/84/92/885498492.db2.gz KLHGQARRAIFVGP-UHFFFAOYSA-N 0 1 388.276 3.534 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(OCC(F)F)ccn1 ZINC000807838888 885768858 /nfs/dbraw/zinc/76/88/58/885768858.db2.gz BIVVXHZWAPFENW-UHFFFAOYSA-N 0 1 377.174 3.668 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)NC(=O)CS2 ZINC000807833557 885798492 /nfs/dbraw/zinc/79/84/92/885798492.db2.gz BMWARCUMXVIORE-UHFFFAOYSA-N 0 1 383.256 3.673 20 10 GHCDMN O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839632 885806366 /nfs/dbraw/zinc/80/63/66/885806366.db2.gz QOISJUUUWSRLHS-UHFFFAOYSA-N 0 1 377.227 3.812 20 10 GHCDMN CCOC(=O)c1nc(NCc2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)n1 ZINC000808090351 886010372 /nfs/dbraw/zinc/01/03/72/886010372.db2.gz ZXENQHLCMKVDFK-UHFFFAOYSA-N 0 1 398.290 3.997 20 10 GHCDMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc(Cl)c2O1 ZINC000808115815 886027058 /nfs/dbraw/zinc/02/70/58/886027058.db2.gz UBVVKRJAEPPWEH-SSDOTTSWSA-N 0 1 392.235 3.962 20 10 GHCDMN CN(C(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)c1ccccc1 ZINC000862353779 886312789 /nfs/dbraw/zinc/31/27/89/886312789.db2.gz ZVXAAQUYQIYLDD-CQSZACIVSA-N 0 1 389.293 3.640 20 10 GHCDMN CN(C(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)c1ccccc1 ZINC000862353779 886312804 /nfs/dbraw/zinc/31/28/04/886312804.db2.gz ZVXAAQUYQIYLDD-CQSZACIVSA-N 0 1 389.293 3.640 20 10 GHCDMN COc1cncc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000808542865 886497415 /nfs/dbraw/zinc/49/74/15/886497415.db2.gz JQHUZPBRODLTLG-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN COc1ccc(N2CCCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000249808716 913073817 /nfs/dbraw/zinc/07/38/17/913073817.db2.gz XNFOHQKOYYNVLW-HXUWFJFHSA-N 0 1 394.437 3.960 20 10 GHCDMN Oc1ccccc1CN(Cc1cc2c(cc1Cl)OCCO2)C[C@H]1CCCO1 ZINC000808736302 886749625 /nfs/dbraw/zinc/74/96/25/886749625.db2.gz PHKIFFJSUFYVCC-QGZVFWFLSA-N 0 1 389.879 3.998 20 10 GHCDMN Cc1cc(C(=O)CON=C(N)CCC(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000863491353 887147274 /nfs/dbraw/zinc/14/72/74/887147274.db2.gz MZHZADILYIMIQG-UHFFFAOYSA-N 0 1 386.349 3.652 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)cc12 ZINC001184362914 913147270 /nfs/dbraw/zinc/14/72/70/913147270.db2.gz WNNXTYPSOWIIDE-INIZCTEOSA-N 0 1 388.508 3.570 20 10 GHCDMN Brc1c(CNCCCSc2nccs2)nc2ccccn12 ZINC000809622972 887620826 /nfs/dbraw/zinc/62/08/26/887620826.db2.gz NIXIEFLRKREUHB-UHFFFAOYSA-N 0 1 383.340 3.825 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1[O-] ZINC000809700165 887681912 /nfs/dbraw/zinc/68/19/12/887681912.db2.gz ZBPTULJXPMVVRQ-KZNAEPCWSA-N 0 1 388.851 3.958 20 10 GHCDMN COc1c([O-])c(CN(CC[NH+](C)C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000809736862 887772158 /nfs/dbraw/zinc/77/21/58/887772158.db2.gz LWYMQKJJVPBQCI-UHFFFAOYSA-N 0 1 393.871 3.526 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212405 888291121 /nfs/dbraw/zinc/29/11/21/888291121.db2.gz AMZVYGRMWBJQNV-JKSUJKDBSA-N 0 1 383.414 3.718 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218521 888296446 /nfs/dbraw/zinc/29/64/46/888296446.db2.gz AVOMEJLGIBSCIR-PBHICJAKSA-N 0 1 382.430 3.854 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210047 888320133 /nfs/dbraw/zinc/32/01/33/888320133.db2.gz ZGSIXCYTLJCMGB-KRWDZBQOSA-N 0 1 395.425 3.884 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3ccc(OC(F)F)cc3F)cc2)CC1 ZINC000865429138 888346094 /nfs/dbraw/zinc/34/60/94/888346094.db2.gz JQOAQMHWWLXKHJ-UHFFFAOYSA-N 0 1 394.437 3.926 20 10 GHCDMN C[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N2CCCCCC2)cc1 ZINC000866441504 888879246 /nfs/dbraw/zinc/87/92/46/888879246.db2.gz LMYQEJYEUXYLBI-KRWDZBQOSA-N 0 1 383.540 3.930 20 10 GHCDMN C[C@H](NCc1ccc(Br)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866567307 888941732 /nfs/dbraw/zinc/94/17/32/888941732.db2.gz OKMSMTXYVROZOO-ZDUSSCGKSA-N 0 1 394.288 3.671 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCCc2cncs2)C1 ZINC000811119405 889229462 /nfs/dbraw/zinc/22/94/62/889229462.db2.gz PENXTHXXOIHNBA-UHFFFAOYSA-N 0 1 383.517 3.650 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCc2cncs2)C1 ZINC000811119405 889229482 /nfs/dbraw/zinc/22/94/82/889229482.db2.gz PENXTHXXOIHNBA-UHFFFAOYSA-N 0 1 383.517 3.650 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC001132899093 889781535 /nfs/dbraw/zinc/78/15/35/889781535.db2.gz MEKBCMNEZGHJOY-UHFFFAOYSA-N 0 1 391.471 3.754 20 10 GHCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811703737 889880324 /nfs/dbraw/zinc/88/03/24/889880324.db2.gz CFIUDUWANTWXAP-UHFFFAOYSA-N 0 1 385.869 3.780 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000917074808 890969936 /nfs/dbraw/zinc/96/99/36/890969936.db2.gz GPHOOTUWQRKIKC-UHFFFAOYSA-N 0 1 385.464 3.938 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000917090055 891082440 /nfs/dbraw/zinc/08/24/40/891082440.db2.gz XXOLXUCGYGHXEP-IBGZPJMESA-N 0 1 393.531 3.575 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000825622022 891311140 /nfs/dbraw/zinc/31/11/40/891311140.db2.gz RKEMDAVXOAPBJN-UHFFFAOYSA-N 0 1 381.236 3.519 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1C1CCCCC1 ZINC000825634520 891365545 /nfs/dbraw/zinc/36/55/45/891365545.db2.gz NXVALGKEMWJBNM-MRXNPFEDSA-N 0 1 381.314 3.568 20 10 GHCDMN COc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1Cn1cccn1 ZINC000873050581 891444829 /nfs/dbraw/zinc/44/48/29/891444829.db2.gz XPXINDCRFWYBKZ-LJQANCHMSA-N 0 1 379.460 3.562 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275371240 913593230 /nfs/dbraw/zinc/59/32/30/913593230.db2.gz VGAHPGIMIINBNB-SFHVURJKSA-N 0 1 377.960 3.924 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000825699188 891845657 /nfs/dbraw/zinc/84/56/57/891845657.db2.gz SPLLIIPGBJAIRV-SJLPKXTDSA-N 0 1 380.257 3.550 20 10 GHCDMN Cc1ccc(C(=O)N2CCN(Cc3c(O)ccc4ccccc43)CC2)cc1F ZINC000917478516 892042281 /nfs/dbraw/zinc/04/22/81/892042281.db2.gz NVKRZJUSULHAFF-UHFFFAOYSA-N 0 1 378.447 3.951 20 10 GHCDMN COc1ccc(N2CCN(CCNc3nc(Cl)nc4ccccc43)CC2)cc1 ZINC001185088720 913629896 /nfs/dbraw/zinc/62/98/96/913629896.db2.gz KNNQATHHHWWLNM-UHFFFAOYSA-N 0 1 397.910 3.526 20 10 GHCDMN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825797643 892644734 /nfs/dbraw/zinc/64/47/34/892644734.db2.gz CMIPSQVHMLEJQD-MRXNPFEDSA-N 0 1 390.281 3.551 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185152118 913719013 /nfs/dbraw/zinc/71/90/13/913719013.db2.gz FBOAAUTYXLMOGV-UHFFFAOYSA-N 0 1 388.395 3.533 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000825881931 893219129 /nfs/dbraw/zinc/21/91/29/893219129.db2.gz AJOWWEXNFHQQOB-GFCCVEGCSA-N 0 1 378.822 3.635 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000825881931 893219145 /nfs/dbraw/zinc/21/91/45/893219145.db2.gz AJOWWEXNFHQQOB-GFCCVEGCSA-N 0 1 378.822 3.635 20 10 GHCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000187459202 893229664 /nfs/dbraw/zinc/22/96/64/893229664.db2.gz XGKBDFHVPZLBRR-KRWDZBQOSA-N 0 1 395.425 3.855 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1Cl ZINC000825900999 893299503 /nfs/dbraw/zinc/29/95/03/893299503.db2.gz VRSYSWSIUFRCAY-CYBMUJFWSA-N 0 1 378.822 3.777 20 10 GHCDMN COc1ccc(N2CCN(C[C@H](O)c3cccc4ccccc43)CC2)cc1F ZINC000815060557 893400737 /nfs/dbraw/zinc/40/07/37/893400737.db2.gz VRQNXRSZCMBGBJ-QFIPXVFZSA-N 0 1 380.463 3.843 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000825934906 893469012 /nfs/dbraw/zinc/46/90/12/893469012.db2.gz MKUZZDGUYGMPFA-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nccn1-c1ccccc1 ZINC000877533541 893670639 /nfs/dbraw/zinc/67/06/39/893670639.db2.gz PSJFFXVIIHEDQL-GOSISDBHSA-N 0 1 376.504 3.684 20 10 GHCDMN Oc1ccccc1[C@H](CCc1ccccc1)NCc1nnnn1-c1ccccc1 ZINC000815570042 894037595 /nfs/dbraw/zinc/03/75/95/894037595.db2.gz PCPFVZJPXAZJDX-NRFANRHFSA-N 0 1 385.471 3.832 20 10 GHCDMN COc1c([O-])c(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774884347 913885248 /nfs/dbraw/zinc/88/52/48/913885248.db2.gz KSCXWEUDFODMPR-SFHVURJKSA-N 0 1 392.427 3.640 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cc2F)CC1 ZINC000816547777 894916081 /nfs/dbraw/zinc/91/60/81/894916081.db2.gz ISYDTABHEKLRKP-UHFFFAOYSA-N 0 1 395.881 3.756 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608032 894967988 /nfs/dbraw/zinc/96/79/88/894967988.db2.gz MUHXJSTVESHEDG-AWEZNQCLSA-N 0 1 380.410 3.826 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608032 894968004 /nfs/dbraw/zinc/96/80/04/894968004.db2.gz MUHXJSTVESHEDG-AWEZNQCLSA-N 0 1 380.410 3.826 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000816659619 895004051 /nfs/dbraw/zinc/00/40/51/895004051.db2.gz UUMIJJLHNUMJGT-OAHLLOKOSA-N 0 1 378.812 3.616 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000816659619 895004068 /nfs/dbraw/zinc/00/40/68/895004068.db2.gz UUMIJJLHNUMJGT-OAHLLOKOSA-N 0 1 378.812 3.616 20 10 GHCDMN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(Br)ccc3[O-])C2)cc1 ZINC000818220097 896083649 /nfs/dbraw/zinc/08/36/49/896083649.db2.gz JHPROQVZDJQDCG-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN CCOC(=O)c1c(C)[nH]nc1CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000821396548 897861008 /nfs/dbraw/zinc/86/10/08/897861008.db2.gz QKQKGNWUBDHGTQ-UHFFFAOYSA-N 0 1 387.411 3.842 20 10 GHCDMN O=C1CCCN1c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825108250 899977257 /nfs/dbraw/zinc/97/72/57/899977257.db2.gz RSDMLNBOZRSUKI-UHFFFAOYSA-N 0 1 375.266 3.571 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000825117603 899989009 /nfs/dbraw/zinc/98/90/09/899989009.db2.gz HZVZRKWXKCCMEZ-UAGQMJEPSA-N 0 1 394.313 3.638 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1O)C1CCN(CC(F)(F)F)CC1 ZINC000825293943 900074140 /nfs/dbraw/zinc/07/41/40/900074140.db2.gz FBVFHAHLYFJUPR-UHFFFAOYSA-N 0 1 381.236 3.613 20 10 GHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000825293943 900074147 /nfs/dbraw/zinc/07/41/47/900074147.db2.gz FBVFHAHLYFJUPR-UHFFFAOYSA-N 0 1 381.236 3.613 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000825293943 900074157 /nfs/dbraw/zinc/07/41/57/900074157.db2.gz FBVFHAHLYFJUPR-UHFFFAOYSA-N 0 1 381.236 3.613 20 10 GHCDMN Cc1ccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000825273538 900086111 /nfs/dbraw/zinc/08/61/11/900086111.db2.gz IIXJOCNTHDLHHR-OAHLLOKOSA-N 0 1 384.480 3.719 20 10 GHCDMN CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001203642143 914670156 /nfs/dbraw/zinc/67/01/56/914670156.db2.gz GNIPZCLXRYEABW-UHFFFAOYSA-N 0 1 381.314 3.522 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000801548147 921121186 /nfs/dbraw/zinc/12/11/86/921121186.db2.gz ABJSIOWKPOJNDC-UHFFFAOYSA-N 0 1 395.547 3.582 20 10 GHCDMN C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000773015730 904376156 /nfs/dbraw/zinc/37/61/56/904376156.db2.gz WNJMUMHFOHXJAR-BFUOFWGJSA-N 0 1 396.865 3.839 20 10 GHCDMN CCCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1O ZINC000801596974 921175662 /nfs/dbraw/zinc/17/56/62/921175662.db2.gz WAYQLVARKBQBMD-UHFFFAOYSA-N 0 1 387.436 3.550 20 10 GHCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3cccc(C)c3O)CC2)cs1 ZINC000180514733 906784440 /nfs/dbraw/zinc/78/44/40/906784440.db2.gz RKCPVZHOAOMLAN-MRXNPFEDSA-N 0 1 375.538 3.572 20 10 GHCDMN CC(=O)N1CCN(c2ccc(CNc3ccnc4cc(F)ccc43)cc2)CC1 ZINC000191857610 907284254 /nfs/dbraw/zinc/28/42/54/907284254.db2.gz VQUNPXMQOULASL-UHFFFAOYSA-N 0 1 378.451 3.655 20 10 GHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000193437398 908382728 /nfs/dbraw/zinc/38/27/28/908382728.db2.gz DKVWJUGHRQVHLK-UHFFFAOYSA-N 0 1 388.533 3.805 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000190857597 908535876 /nfs/dbraw/zinc/53/58/76/908535876.db2.gz JGLHAUJEUXAHAH-UHFFFAOYSA-N 0 1 379.298 3.541 20 10 GHCDMN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000191554998 908641872 /nfs/dbraw/zinc/64/18/72/908641872.db2.gz WBQDQMHANMCFSS-SNVBAGLBSA-N 0 1 399.310 3.681 20 10 GHCDMN COc1cccc([C@H]2[C@H](NC(=O)N(C)Cc3ccccc3O)CCN2C2CC2)c1 ZINC000245931061 910005706 /nfs/dbraw/zinc/00/57/06/910005706.db2.gz IGIGSJJIFFDZMG-IRLDBZIGSA-N 0 1 395.503 3.520 20 10 GHCDMN COc1cc(CN2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc(OC)c1 ZINC001180224357 910024241 /nfs/dbraw/zinc/02/42/41/910024241.db2.gz BQPMLYOCHJNCMX-UHFFFAOYSA-N 0 1 394.874 3.520 20 10 GHCDMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000269237425 910192109 /nfs/dbraw/zinc/19/21/09/910192109.db2.gz HAXIWMBNFPACOS-MRXNPFEDSA-N 0 1 395.507 3.720 20 10 GHCDMN O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(F)c(F)c1O)CC2 ZINC001181728770 910940668 /nfs/dbraw/zinc/94/06/68/910940668.db2.gz GVFCFEYOJJJBCQ-UHFFFAOYSA-N 0 1 399.191 3.899 20 10 GHCDMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000274401362 911325034 /nfs/dbraw/zinc/32/50/34/911325034.db2.gz QCLFXXPFSLKLOC-QRWLVFNGSA-N 0 1 386.467 3.845 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000774115298 911374021 /nfs/dbraw/zinc/37/40/21/911374021.db2.gz CNOBRBYJJYHOBP-NLSFWIRASA-N 0 1 396.531 3.765 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2cc3c(cc2C)OCO3)nc1-c1ccccc1 ZINC000795609020 911429657 /nfs/dbraw/zinc/42/96/57/911429657.db2.gz DCEJZDNSKGXVIT-UHFFFAOYSA-N 0 1 388.470 3.956 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCC[C@@H]2CCCO2)C1 ZINC000774208029 911493604 /nfs/dbraw/zinc/49/36/04/911493604.db2.gz ZKHILNFSDGUGRZ-SFHVURJKSA-N 0 1 384.520 3.910 20 10 GHCDMN CCOc1cccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000092453093 911545807 /nfs/dbraw/zinc/54/58/07/911545807.db2.gz MUQWRGAIGHWCJD-UHFFFAOYSA-N 0 1 388.895 3.792 20 10 GHCDMN COc1cccc(CN(C)C(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000248093766 911682003 /nfs/dbraw/zinc/68/20/03/911682003.db2.gz YIHQTGCHLPDJOU-UHFFFAOYSA-N 0 1 395.547 3.776 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001182766120 912035933 /nfs/dbraw/zinc/03/59/33/912035933.db2.gz ZJMVBXRFCCPKIC-XOBRGWDASA-N 0 1 382.451 3.797 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@H]1F ZINC001182977256 912196689 /nfs/dbraw/zinc/19/66/89/912196689.db2.gz CPKDBLUQJDWVQU-TZMCWYRMSA-N 0 1 376.831 3.622 20 10 GHCDMN COc1c([O-])c(C[NH+]2CCC(c3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC000775075847 914940391 /nfs/dbraw/zinc/94/03/91/914940391.db2.gz PNAHDDYMMHOWGA-UHFFFAOYSA-N 0 1 378.375 3.967 20 10 GHCDMN Cc1cc(O)c(CN2CCC(O)(c3scnc3Br)CC2)cc1C ZINC000366787622 921744173 /nfs/dbraw/zinc/74/41/73/921744173.db2.gz ZESZBUCZTUHWCM-UHFFFAOYSA-N 0 1 397.338 3.712 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000775119743 915257569 /nfs/dbraw/zinc/25/75/69/915257569.db2.gz VNOUSZFDCAOEIY-UHFFFAOYSA-N 0 1 399.216 3.843 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000775119743 915257575 /nfs/dbraw/zinc/25/75/75/915257575.db2.gz VNOUSZFDCAOEIY-UHFFFAOYSA-N 0 1 399.216 3.843 20 10 GHCDMN COCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000380266953 916280702 /nfs/dbraw/zinc/28/07/02/916280702.db2.gz VQXWWCNDJOWOBO-UHFFFAOYSA-N 0 1 398.931 3.799 20 10 GHCDMN CCN(CC)Cc1nc(C2(NCc3cc(Cl)c(F)cc3O)CCCC2)no1 ZINC000293638386 916305850 /nfs/dbraw/zinc/30/58/50/916305850.db2.gz NSKDOIFZCYFLCO-UHFFFAOYSA-N 0 1 396.894 3.969 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN([C@H](C)c4cccnc4)CC3)cc2)CC1 ZINC000295088774 917136118 /nfs/dbraw/zinc/13/61/18/917136118.db2.gz RYZWPQYLPYXWNI-HXUWFJFHSA-N 0 1 394.563 3.576 20 10 GHCDMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(O)c(Br)c1 ZINC001191821996 918244515 /nfs/dbraw/zinc/24/45/15/918244515.db2.gz ZMCRLIMEYFUKOX-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488976 918261601 /nfs/dbraw/zinc/26/16/01/918261601.db2.gz LFLDUHMSQJUTRQ-MRXNPFEDSA-N 0 1 395.272 3.765 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)cc2nc[nH]c21 ZINC000800415910 920049784 /nfs/dbraw/zinc/04/97/84/920049784.db2.gz ZQGWGSXKCGHXEV-UHFFFAOYSA-N 0 1 399.292 3.856 20 10 GHCDMN CO[C@@H](C)c1nsc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000800850258 920527094 /nfs/dbraw/zinc/52/70/94/920527094.db2.gz QNRAJLBFVDLVMM-FZMZJTMJSA-N 0 1 382.917 3.681 20 10 GHCDMN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000802311549 922007050 /nfs/dbraw/zinc/00/70/50/922007050.db2.gz WRIREYQZWRYSDF-RPVQJOFSSA-N 0 1 398.341 3.763 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000903173604 922829699 /nfs/dbraw/zinc/82/96/99/922829699.db2.gz RGQTVHYGAIZWTG-MRXNPFEDSA-N 0 1 398.528 3.788 20 10 GHCDMN O=C([N-][C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000827140839 924889733 /nfs/dbraw/zinc/88/97/33/924889733.db2.gz NVECLDMRBYFUGV-IAGOWNOFSA-N 0 1 396.384 3.568 20 10 GHCDMN CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1Br ZINC001276077468 925244119 /nfs/dbraw/zinc/24/41/19/925244119.db2.gz QAUFNARRGMZIOE-LJQANCHMSA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077468 925244126 /nfs/dbraw/zinc/24/41/26/925244126.db2.gz QAUFNARRGMZIOE-LJQANCHMSA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077468 925244136 /nfs/dbraw/zinc/24/41/36/925244136.db2.gz QAUFNARRGMZIOE-LJQANCHMSA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@]2(CC1=O)CCCCN2Cc1c(O)cccc1Br ZINC001276077468 925244137 /nfs/dbraw/zinc/24/41/37/925244137.db2.gz QAUFNARRGMZIOE-LJQANCHMSA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000827680064 925920797 /nfs/dbraw/zinc/92/07/97/925920797.db2.gz MNONENJNKDRGON-HXUWFJFHSA-N 0 1 382.504 3.708 20 10 GHCDMN CC(=O)c1cc(F)cc(CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000749480256 927125168 /nfs/dbraw/zinc/12/51/68/927125168.db2.gz KJXFISQUUDLFKJ-KRWDZBQOSA-N 0 1 392.471 3.708 20 10 GHCDMN Cc1cc(O)c(CNCc2csc(CNC(=O)c3ccccc3)n2)cc1C ZINC000749924723 927350839 /nfs/dbraw/zinc/35/08/39/927350839.db2.gz GQGVUPGDCSJZJO-UHFFFAOYSA-N 0 1 381.501 3.685 20 10 GHCDMN Oc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753527706 929390631 /nfs/dbraw/zinc/39/06/31/929390631.db2.gz RHARSPXZJRZQIQ-UHFFFAOYSA-N 0 1 390.483 3.999 20 10 GHCDMN Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000758793561 930169223 /nfs/dbraw/zinc/16/92/23/930169223.db2.gz BPXZNYKMEZCWMM-CQSZACIVSA-N 0 1 380.496 3.606 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(CCCc4cccs4)o3)cc2)CC1 ZINC000777518233 931314402 /nfs/dbraw/zinc/31/44/02/931314402.db2.gz JLXHJTUSERUPOX-UHFFFAOYSA-N 0 1 397.548 3.670 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)c1ccccc1 ZINC000797604980 932341491 /nfs/dbraw/zinc/34/14/91/932341491.db2.gz HBOCQLZWBZYHLL-HNNXBMFYSA-N 0 1 389.293 3.640 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1O ZINC001116211674 933406475 /nfs/dbraw/zinc/40/64/75/933406475.db2.gz PULUXWSMILCMPU-HXUWFJFHSA-N 0 1 382.435 3.682 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)ccc1O ZINC001117684625 933982571 /nfs/dbraw/zinc/98/25/71/933982571.db2.gz QVSZBJUMCKHSSQ-UHFFFAOYSA-N 0 1 391.489 3.832 20 10 GHCDMN COc1ccc(N2CCC(NC(=O)c3ccc(CN4CCCCC4)o3)CC2)cc1 ZINC000931577824 934624441 /nfs/dbraw/zinc/62/44/41/934624441.db2.gz DIJIXTIPJZDDCR-UHFFFAOYSA-N 0 1 397.519 3.673 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H](Cc3ccncc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828771318 935705505 /nfs/dbraw/zinc/70/55/05/935705505.db2.gz YSVZIGAITFEFDZ-LJQANCHMSA-N 0 1 392.478 3.771 20 10 GHCDMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001138047732 935952600 /nfs/dbraw/zinc/95/26/00/935952600.db2.gz WYZOBGJVZYCAMH-XJKSGUPXSA-N 0 1 382.485 3.563 20 10 GHCDMN O=C([O-])[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000756348441 978698563 /nfs/dbraw/zinc/69/85/63/978698563.db2.gz KOEUQNJRMOMUAB-CQSZACIVSA-N 0 1 388.620 3.863 20 10 GHCDMN C[C@@H](COCc1ccccc1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592775042 979397223 /nfs/dbraw/zinc/39/72/23/979397223.db2.gz CPLUMWKYTAHEAW-OAHLLOKOSA-N 0 1 377.868 3.785 20 10 GHCDMN CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594774830 981755064 /nfs/dbraw/zinc/75/50/64/981755064.db2.gz IFVVDPAIMVSALI-OAHLLOKOSA-N 0 1 378.444 3.568 20 10 GHCDMN CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594774830 981755070 /nfs/dbraw/zinc/75/50/70/981755070.db2.gz IFVVDPAIMVSALI-OAHLLOKOSA-N 0 1 378.444 3.568 20 10 GHCDMN CN(C)c1cc(F)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)cc1F ZINC001598306556 991266352 /nfs/dbraw/zinc/26/63/52/991266352.db2.gz YOKISPLEKSZEFQ-UHFFFAOYSA-N 0 1 399.235 3.781 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OC2CCC(C(=O)[O-])CC2)C1 ZINC001591634925 992942312 /nfs/dbraw/zinc/94/23/12/992942312.db2.gz GBXZBWWRFIKHRH-UHFFFAOYSA-N 0 1 398.503 3.594 20 10 GHCDMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC001599450702 998091747 /nfs/dbraw/zinc/09/17/47/998091747.db2.gz TUERXQHCSVNFOG-JOCHJYFZSA-N 0 1 398.503 3.952 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCc3ccccc32)c1O ZINC001227493794 1032440106 /nfs/dbraw/zinc/44/01/06/1032440106.db2.gz KPBKDTUGTROZGO-ZDUSSCGKSA-N 0 1 376.430 3.873 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H]2Cc3cccc4cccc2c34)c1O ZINC001227620875 1032488990 /nfs/dbraw/zinc/48/89/90/1032488990.db2.gz WAQLSZCJBOZOCS-ZDUSSCGKSA-N 0 1 384.409 3.856 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccc(O)c2)C1 ZINC000562470354 1018187023 /nfs/dbraw/zinc/18/70/23/1018187023.db2.gz GMJSBEDBBNNEFK-KRWDZBQOSA-N 0 1 391.515 3.991 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)c1cccc(F)c1 ZINC001204329036 1032771079 /nfs/dbraw/zinc/77/10/79/1032771079.db2.gz CLHXIXWYZYIKAR-OAQYLSRUSA-N 0 1 381.495 3.820 20 10 GHCDMN CO[C@H](CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1)c1ccccc1 ZINC001204328777 1032772222 /nfs/dbraw/zinc/77/22/22/1032772222.db2.gz MCFLLFRBFJXIPD-XMMPIXPASA-N 0 1 379.548 3.792 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000092585526 1021084860 /nfs/dbraw/zinc/08/48/60/1021084860.db2.gz ORZWNWACYGYXJA-OAHLLOKOSA-N 0 1 393.528 3.512 20 10 GHCDMN COc1ccc([C@@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)cc1 ZINC001228518953 1032968569 /nfs/dbraw/zinc/96/85/69/1032968569.db2.gz KXQBSEPSFZOXDJ-GFCCVEGCSA-N 0 1 396.395 3.889 20 10 GHCDMN C[C@H](Cc1ccccc1)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228519658 1032968708 /nfs/dbraw/zinc/96/87/08/1032968708.db2.gz QRECZQVUZIHKJA-CYBMUJFWSA-N 0 1 380.396 3.750 20 10 GHCDMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000800543470 1021318532 /nfs/dbraw/zinc/31/85/32/1021318532.db2.gz CFIWAXUAPZBLEY-CQSZACIVSA-N 0 1 391.309 3.806 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000834903643 1021651818 /nfs/dbraw/zinc/65/18/18/1021651818.db2.gz JUHOWEKCGNZTME-HIFRSBDPSA-N 0 1 384.904 3.722 20 10 GHCDMN Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccc(Cl)cc2[O-])CC3)n1 ZINC001140466414 1021759741 /nfs/dbraw/zinc/75/97/41/1021759741.db2.gz DKFYOOUUFURHBZ-UHFFFAOYSA-N 0 1 399.922 3.906 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001140465519 1021760167 /nfs/dbraw/zinc/76/01/67/1021760167.db2.gz OZMCSOILODAGJD-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001140465519 1021760178 /nfs/dbraw/zinc/76/01/78/1021760178.db2.gz OZMCSOILODAGJD-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140475286 1021770135 /nfs/dbraw/zinc/77/01/35/1021770135.db2.gz ZCPOOYHZYPZXSV-SJLPKXTDSA-N 0 1 377.504 3.676 20 10 GHCDMN Cc1c(O)ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC001140742537 1022401175 /nfs/dbraw/zinc/40/11/75/1022401175.db2.gz REURONGQNMCLJL-UHFFFAOYSA-N 0 1 380.410 3.743 20 10 GHCDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(Cl)c1 ZINC001140922502 1022891831 /nfs/dbraw/zinc/89/18/31/1022891831.db2.gz RTDHVOQXEIBJAR-ZVZYQTTQSA-N 0 1 379.932 3.894 20 10 GHCDMN CN(C)c1ccc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)c(Cl)c1 ZINC001140924512 1022901484 /nfs/dbraw/zinc/90/14/84/1022901484.db2.gz PRYSJBMSYKOKOB-UHFFFAOYSA-N 0 1 383.923 3.960 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC001141031229 1023297330 /nfs/dbraw/zinc/29/73/30/1023297330.db2.gz ZLLLAYNWWKKMRP-JLSDUUJJSA-N 0 1 391.508 3.884 20 10 GHCDMN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756457839 1023661543 /nfs/dbraw/zinc/66/15/43/1023661543.db2.gz GVYDNEVXSFRBSV-GDBMZVCRSA-N 0 1 394.309 3.862 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756461290 1023664966 /nfs/dbraw/zinc/66/49/66/1023664966.db2.gz XRFZPDPDUGQNGM-OCCSQVGLSA-N 0 1 382.273 3.796 20 10 GHCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000756505939 1023688658 /nfs/dbraw/zinc/68/86/58/1023688658.db2.gz YSNIIYXLOMYEQI-UWVGGRQHSA-N 0 1 394.151 3.908 20 10 GHCDMN C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000756709639 1023784122 /nfs/dbraw/zinc/78/41/22/1023784122.db2.gz YDLYUDIATWLGFU-LBPRGKRZSA-N 0 1 395.272 3.765 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC001156658086 1033161690 /nfs/dbraw/zinc/16/16/90/1033161690.db2.gz RRNSJJHLBKCIPX-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN CC(C)([C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1)N1CCCC1 ZINC001138144962 1024225742 /nfs/dbraw/zinc/22/57/42/1024225742.db2.gz LEEOVIRUSQIZHW-IBGZPJMESA-N 0 1 390.430 3.722 20 10 GHCDMN CCC(=O)N(CC)C1CCN(Cc2ccc(N(CC)CC)cc2OC)CC1 ZINC001138391916 1024768616 /nfs/dbraw/zinc/76/86/16/1024768616.db2.gz JAMUZNUQFHWXBJ-UHFFFAOYSA-N 0 1 375.557 3.764 20 10 GHCDMN CC[C@@H](C)N1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000832192247 1025312299 /nfs/dbraw/zinc/31/22/99/1025312299.db2.gz YVRHFSHRTRBISZ-OAHLLOKOSA-N 0 1 388.943 3.741 20 10 GHCDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839012777 1025516951 /nfs/dbraw/zinc/51/69/51/1025516951.db2.gz ZGGPRFIEDKBYSG-JLCFBVMHSA-N 0 1 387.387 3.638 20 10 GHCDMN Fc1cc(CN[C@@H]2CSCCc3ccccc32)cc(F)c1N1CCOCC1 ZINC000839143869 1025638197 /nfs/dbraw/zinc/63/81/97/1025638197.db2.gz DGMVSRJOAZOXCE-HXUWFJFHSA-N 0 1 390.499 3.922 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)cc1 ZINC001139077004 1025885772 /nfs/dbraw/zinc/88/57/72/1025885772.db2.gz XEONOZQXBUOKPG-UHFFFAOYSA-N 0 1 376.460 3.600 20 10 GHCDMN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129362 1025942069 /nfs/dbraw/zinc/94/20/69/1025942069.db2.gz XFIOVKGDYYJBBH-GOSISDBHSA-N 0 1 395.455 3.859 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001139129625 1025942106 /nfs/dbraw/zinc/94/21/06/1025942106.db2.gz BMHYGGFBFBQUQK-IBGZPJMESA-N 0 1 387.382 3.659 20 10 GHCDMN COC(=O)c1c[nH]c2ncnc(N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)c12 ZINC001163488596 1026211704 /nfs/dbraw/zinc/21/17/04/1026211704.db2.gz XGZBOIXXKAGYPH-KRWDZBQOSA-N 0 1 380.448 3.802 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4nc(C)ccc4n3)CC2)cc1 ZINC001164329935 1026487430 /nfs/dbraw/zinc/48/74/30/1026487430.db2.gz FTOMAROTILGCQU-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN Cc1cc(CN2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)ccc1N(C)C ZINC001139671662 1026526448 /nfs/dbraw/zinc/52/64/48/1026526448.db2.gz NKHBRNDHRBMWEZ-DEOSSOPVSA-N 0 1 379.548 3.932 20 10 GHCDMN Cc1cc(CN2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)ccc1N(C)C ZINC001139673168 1026529130 /nfs/dbraw/zinc/52/91/30/1026529130.db2.gz AXLBFTLBPRWXAK-FQEVSTJZSA-N 0 1 386.561 3.844 20 10 GHCDMN O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)CC1 ZINC001139681930 1026537440 /nfs/dbraw/zinc/53/74/40/1026537440.db2.gz ICKREBBIXWRXMT-UHFFFAOYSA-N 0 1 392.471 3.860 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001140098798 1026874295 /nfs/dbraw/zinc/87/42/95/1026874295.db2.gz LNIMQFUXHFJIJJ-UHFFFAOYSA-N 0 1 377.282 3.841 20 10 GHCDMN 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GHCDMN O=C(c1ccc(CN2CCCCC2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001151903482 1031046975 /nfs/dbraw/zinc/04/69/75/1031046975.db2.gz MIOCUKUYCJEXLD-LJQANCHMSA-N 0 1 398.503 3.793 20 10 GHCDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)Cc1ccc(N)cc1 ZINC001219006006 1031208319 /nfs/dbraw/zinc/20/83/19/1031208319.db2.gz ZJFIWTMLSNDAOA-UHFFFAOYSA-N 0 1 386.455 3.720 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])CCN1c1ccccc1C(F)(F)F ZINC001205433957 1033410562 /nfs/dbraw/zinc/41/05/62/1033410562.db2.gz FZZYOVKRURJFCY-AWEZNQCLSA-N 0 1 384.785 3.960 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001206085138 1033712943 /nfs/dbraw/zinc/71/29/43/1033712943.db2.gz RVWMFMOMIAAFQM-MRXNPFEDSA-N 0 1 391.284 3.931 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(Br)c(C)cc2O)C1=O ZINC001277427947 1033769286 /nfs/dbraw/zinc/76/92/86/1033769286.db2.gz ZFTACQRBJGKUND-IFXJQAMLSA-N 0 1 395.341 3.829 20 10 GHCDMN Cc1cc(CCNC(=O)NCc2n[nH]c(C(C)(C)C)n2)c(C)n1-c1ccccc1 ZINC001229884825 1033771432 /nfs/dbraw/zinc/77/14/32/1033771432.db2.gz GXFLCLSEKAIYIC-UHFFFAOYSA-N 0 1 394.523 3.552 20 10 GHCDMN CCOc1ccc(N2CCN(C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC001207376522 1034318907 /nfs/dbraw/zinc/31/89/07/1034318907.db2.gz BBHXMZAUMCAWOL-IBGZPJMESA-N 0 1 389.540 3.607 20 10 GHCDMN O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509937 1034542241 /nfs/dbraw/zinc/54/22/41/1034542241.db2.gz KGNVMMRMPWDERN-FQEVSTJZSA-N 0 1 380.891 3.942 20 10 GHCDMN COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231566824 1034716711 /nfs/dbraw/zinc/71/67/11/1034716711.db2.gz RJLOFNQLERFULQ-FQEVSTJZSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231566824 1034716726 /nfs/dbraw/zinc/71/67/26/1034716726.db2.gz RJLOFNQLERFULQ-FQEVSTJZSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231566824 1034716742 /nfs/dbraw/zinc/71/67/42/1034716742.db2.gz RJLOFNQLERFULQ-FQEVSTJZSA-N 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ZINC001231881151 1034965111 /nfs/dbraw/zinc/96/51/11/1034965111.db2.gz SPVGGMAEGWAPLK-UHFFFAOYSA-N 0 1 397.500 3.501 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cccc(Cl)c4[O-])C3)C2=O)c1 ZINC001231911334 1034985721 /nfs/dbraw/zinc/98/57/21/1034985721.db2.gz KDOZXRIEJIKLTO-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910736 1034985771 /nfs/dbraw/zinc/98/57/71/1034985771.db2.gz VCLLWNDESSDVOL-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001231911951 1034986749 /nfs/dbraw/zinc/98/67/49/1034986749.db2.gz UFFGZRTUNXIIEX-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN CC(=O)N/C(=C/c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160599253 1035013764 /nfs/dbraw/zinc/01/37/64/1035013764.db2.gz HEZDYPVYZNWDNR-VGOFMYFVSA-N 0 1 385.272 3.554 20 10 GHCDMN CCOC(=O)CCN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209039896 1035154085 /nfs/dbraw/zinc/15/40/85/1035154085.db2.gz AVVJNIMOKYVVLY-UHFFFAOYSA-N 0 1 379.460 3.570 20 10 GHCDMN COCCCC[N@@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001209219381 1035209275 /nfs/dbraw/zinc/20/92/75/1035209275.db2.gz JFUCZZLDLSVLFV-SFHVURJKSA-N 0 1 391.895 3.873 20 10 GHCDMN COCCCC[N@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001209219381 1035209283 /nfs/dbraw/zinc/20/92/83/1035209283.db2.gz JFUCZZLDLSVLFV-SFHVURJKSA-N 0 1 391.895 3.873 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(-n3c(C)ccc3C)cc2)Cc2cnn(C)c21 ZINC001209516686 1035299882 /nfs/dbraw/zinc/29/98/82/1035299882.db2.gz LSUPIRJLYROZKO-NRFANRHFSA-N 0 1 378.520 3.964 20 10 GHCDMN Cn1nc2ccccc2c1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209540649 1035309070 /nfs/dbraw/zinc/30/90/70/1035309070.db2.gz CIIMKHZVNCQKHP-UHFFFAOYSA-N 0 1 390.409 3.794 20 10 GHCDMN COc1cc(I)cc(CN2CC(c3ccccc3)C2)c1O ZINC001248405565 1035820463 /nfs/dbraw/zinc/82/04/63/1035820463.db2.gz OYQXENUGZBXFES-UHFFFAOYSA-N 0 1 395.240 3.605 20 10 GHCDMN CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC001462148438 1070035390 /nfs/dbraw/zinc/03/53/90/1070035390.db2.gz PTKRBCAMQGJISV-MRXNPFEDSA-N 0 1 390.705 3.578 20 10 GHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC001462148438 1070035395 /nfs/dbraw/zinc/03/53/95/1070035395.db2.gz PTKRBCAMQGJISV-MRXNPFEDSA-N 0 1 390.705 3.578 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(C(=O)Oc4ccccc43)C2(C)C)cc1Cl ZINC001232270469 1037994102 /nfs/dbraw/zinc/99/41/02/1037994102.db2.gz BZXBFUFEYKDDBC-OAQYLSRUSA-N 0 1 387.863 3.896 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(C(=O)Oc4ccccc43)C2(C)C)cc1Cl ZINC001232270469 1037994104 /nfs/dbraw/zinc/99/41/04/1037994104.db2.gz BZXBFUFEYKDDBC-OAQYLSRUSA-N 0 1 387.863 3.896 20 10 GHCDMN COc1ccc(OC(C)C)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001232391980 1038175334 /nfs/dbraw/zinc/17/53/34/1038175334.db2.gz HFBPIZSKKWDNFF-UHFFFAOYSA-N 0 1 384.520 3.951 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@H+](CCOC)C(C)C)c2)nc1C ZINC001232451714 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UOKRGXRBFFTTOF-UHFFFAOYSA-N 0 1 396.125 3.530 20 10 GHCDMN Cn1cc(C[N@H+]2CCCC23CCN(Cc2cc(F)cc(Cl)c2[O-])CC3)cn1 ZINC001237800009 1042376615 /nfs/dbraw/zinc/37/66/15/1042376615.db2.gz LRWYASKPSBORJG-UHFFFAOYSA-N 0 1 392.906 3.549 20 10 GHCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1)c1cccc(F)c1 ZINC001237801830 1042377516 /nfs/dbraw/zinc/37/75/16/1042377516.db2.gz ITUZGVYTARDGTJ-MRXNPFEDSA-N 0 1 380.822 3.718 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1)c1cccc(F)c1 ZINC001237801830 1042377518 /nfs/dbraw/zinc/37/75/18/1042377518.db2.gz ITUZGVYTARDGTJ-MRXNPFEDSA-N 0 1 380.822 3.718 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)CCC1(F)F ZINC001237803998 1042378955 /nfs/dbraw/zinc/37/89/55/1042378955.db2.gz XVEXHOAZGSPYRY-CYBMUJFWSA-N 0 1 394.821 3.919 20 10 GHCDMN O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803341 1042379051 /nfs/dbraw/zinc/37/90/51/1042379051.db2.gz SPYHUDUHAYEACE-CQSZACIVSA-N 0 1 392.833 3.944 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)cc(Cl)c2O)C[C@H](F)C1 ZINC001237808569 1042379844 /nfs/dbraw/zinc/37/98/44/1042379844.db2.gz UEEYFYWOYYHGFU-ZDUSSCGKSA-N 0 1 376.831 3.576 20 10 GHCDMN [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c2)C1 ZINC001237812300 1042381439 /nfs/dbraw/zinc/38/14/39/1042381439.db2.gz HIANHYQCALPGGK-UHFFFAOYSA-N 0 1 393.468 3.534 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]12 ZINC001237941520 1042430650 /nfs/dbraw/zinc/43/06/50/1042430650.db2.gz YAZIISFNTBQJKS-PVXIVEMSSA-N 0 1 384.879 3.920 20 10 GHCDMN Cc1cc(F)cc(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1O ZINC001238061401 1042479596 /nfs/dbraw/zinc/47/95/96/1042479596.db2.gz MHCTWVSECXCLFL-PGRDOPGGSA-N 0 1 386.467 3.685 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1ccccc1Br ZINC001257384789 1043977358 /nfs/dbraw/zinc/97/73/58/1043977358.db2.gz ZNCLQMWEUDJUBB-UHFFFAOYSA-N 0 1 396.184 3.974 20 10 GHCDMN O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279073279 1044385353 /nfs/dbraw/zinc/38/53/53/1044385353.db2.gz AGQZDXDDEGSZRI-HXUWFJFHSA-N 0 1 378.900 3.622 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001303215952 1047313527 /nfs/dbraw/zinc/31/35/27/1047313527.db2.gz RHVCTJPSQMFXFV-HNNXBMFYSA-N 0 1 383.883 3.885 20 10 GHCDMN Oc1cccc(Br)c1CN1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279219959 1047743762 /nfs/dbraw/zinc/74/37/62/1047743762.db2.gz NQDKUVXZIRVPEX-UHFFFAOYSA-N 0 1 393.247 3.615 20 10 GHCDMN Cc1cccnc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001305319462 1047978560 /nfs/dbraw/zinc/97/85/60/1047978560.db2.gz OJTMMGRVPHTSSQ-GOSISDBHSA-N 0 1 390.531 3.989 20 10 GHCDMN CCN(C(=O)[C@@H]1CCSC12CN(Cc1cc(Cl)ccc1O)C2)C(C)C ZINC001279983791 1048026562 /nfs/dbraw/zinc/02/65/62/1048026562.db2.gz RLABDMUBFSPDPF-INIZCTEOSA-N 0 1 382.957 3.610 20 10 GHCDMN C[S@](=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000751150934 1048860115 /nfs/dbraw/zinc/86/01/15/1048860115.db2.gz BCVGBMXWQYYOCT-MHZLTWQESA-N 0 1 387.505 3.612 20 10 GHCDMN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC001307422951 1049260529 /nfs/dbraw/zinc/26/05/29/1049260529.db2.gz AFUIEOOCXMTZFE-UHFFFAOYSA-N 0 1 397.519 3.778 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1[O-] ZINC001307704588 1049521471 /nfs/dbraw/zinc/52/14/71/1049521471.db2.gz CWNOIMVWSNZVRX-KDOFPFPSSA-N 0 1 394.487 3.907 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1N(C)C ZINC001308555910 1050007637 /nfs/dbraw/zinc/00/76/37/1050007637.db2.gz VALJEAWWVVAOJV-OAHLLOKOSA-N 0 1 375.463 3.718 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1ccc(OC)c(OC)c1O ZINC001308608005 1050030063 /nfs/dbraw/zinc/03/00/63/1050030063.db2.gz GPONURQHUYYJJI-UHFFFAOYSA-N 0 1 396.281 3.900 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1ccc(OC)c(OC)c1O ZINC001308608005 1050030066 /nfs/dbraw/zinc/03/00/66/1050030066.db2.gz GPONURQHUYYJJI-UHFFFAOYSA-N 0 1 396.281 3.900 20 10 GHCDMN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001308699466 1050064041 /nfs/dbraw/zinc/06/40/41/1050064041.db2.gz QTRVZTSHNJNDSN-JSGCOSHPSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)Oc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001310762253 1051574434 /nfs/dbraw/zinc/57/44/34/1051574434.db2.gz BJLLHIABPOOQPG-UHFFFAOYSA-N 0 1 382.508 3.547 20 10 GHCDMN CN1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001335505393 1052119040 /nfs/dbraw/zinc/11/90/40/1052119040.db2.gz QYNYJPRMAQCEEG-HNAYVOBHSA-N 0 1 390.890 3.554 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCc1cc(F)cnc1Cl ZINC001312755107 1052859387 /nfs/dbraw/zinc/85/93/87/1052859387.db2.gz WUOIMBBAFVCJLM-UHFFFAOYSA-N 0 1 378.618 3.886 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001313164573 1052973507 /nfs/dbraw/zinc/97/35/07/1052973507.db2.gz NFPNBROXXZURKJ-GFCCVEGCSA-N 0 1 395.242 3.532 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCN1Cc1cccnc1 ZINC001324011287 1057054989 /nfs/dbraw/zinc/05/49/89/1057054989.db2.gz FGHCPMNARCDYKG-KRWDZBQOSA-N 0 1 394.302 3.765 20 10 GHCDMN COc1cc(Br)cc([C@H](C)NCc2cn3ccc(C)cc3n2)c1O ZINC000848526112 1057149486 /nfs/dbraw/zinc/14/94/86/1057149486.db2.gz XRTWSYVAVFWHPF-LBPRGKRZSA-N 0 1 390.281 3.970 20 10 GHCDMN O=C([O-])C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C1CCC1 ZINC000848639353 1057218371 /nfs/dbraw/zinc/21/83/71/1057218371.db2.gz IJOQOHCZDPGIFE-UHFFFAOYSA-N 0 1 381.314 3.879 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc2cnccc2c1 ZINC001465950907 1065935060 /nfs/dbraw/zinc/93/50/60/1065935060.db2.gz GBEBNILIHVODGR-FQEVSTJZSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2cnccc2c1 ZINC001465950907 1065935061 /nfs/dbraw/zinc/93/50/61/1065935061.db2.gz GBEBNILIHVODGR-FQEVSTJZSA-N 0 1 395.890 3.988 20 10 GHCDMN C[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)N(C)C(=O)OC(C)(C)C ZINC001200365372 1065993776 /nfs/dbraw/zinc/99/37/76/1065993776.db2.gz KOTJIMJGYNIXNS-LBPRGKRZSA-N 0 1 387.318 3.890 20 10 GHCDMN CCOc1ccc(N2CCN(C(=O)[C@@H](c3ccccc3)N(CC)CC)CC2)cc1 ZINC001466208686 1066036206 /nfs/dbraw/zinc/03/62/06/1066036206.db2.gz OLYSOBHDNCAJPR-HSZRJFAPSA-N 0 1 395.547 3.817 20 10 GHCDMN CCOc1ccc(N2CCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001473295532 1067224436 /nfs/dbraw/zinc/22/44/36/1067224436.db2.gz GUYKVOSXBDXJFE-HXUWFJFHSA-N 0 1 394.437 3.960 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)cc(C)cc3C)cc2F)CC1 ZINC001360091275 1068352442 /nfs/dbraw/zinc/35/24/42/1068352442.db2.gz LZXIMUZMAMYKMR-UHFFFAOYSA-N 0 1 383.511 3.823 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC001471099328 1072922370 /nfs/dbraw/zinc/92/23/70/1072922370.db2.gz JRBCYISNHYAHJM-WVSHTKLVSA-N 0 1 389.279 3.619 20 10 GHCDMN COc1c([O-])c(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001474349285 1074357031 /nfs/dbraw/zinc/35/70/31/1074357031.db2.gz YJKGZSJHSUNYEJ-UHFFFAOYSA-N 0 1 391.512 3.641 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3c(F)cc(Cl)cc3F)cc2)CC1 ZINC001476342725 1075129825 /nfs/dbraw/zinc/12/98/25/1075129825.db2.gz SUIGIGUURHZKGG-UHFFFAOYSA-N 0 1 394.853 3.692 20 10 GHCDMN O=C([O-])C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1O ZINC000739784573 600143612 /nfs/dbraw/zinc/14/36/12/600143612.db2.gz GJZBYJZQUKKQSN-UHFFFAOYSA-N 0 1 397.258 3.614 20 10 GHCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000739793153 600315828 /nfs/dbraw/zinc/31/58/28/600315828.db2.gz BAVINHDZZMYSTN-UHFFFAOYSA-N 0 1 398.242 3.557 20 10 GHCDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000536043453 834460339 /nfs/dbraw/zinc/46/03/39/834460339.db2.gz JVRNLYCHIAFAFT-UHFFFAOYSA-N 0 1 376.460 3.799 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000066697547 838316661 /nfs/dbraw/zinc/31/66/61/838316661.db2.gz LOTIDLORISPVKZ-FQEVSTJZSA-N 0 1 385.508 3.625 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000181900022 838921590 /nfs/dbraw/zinc/92/15/90/838921590.db2.gz JRNAXYOCSIGIJX-AWEZNQCLSA-N 0 1 395.425 3.618 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccnc(CCc4ccccc4)n3)cc2)CC1 ZINC001167431128 840034090 /nfs/dbraw/zinc/03/40/90/840034090.db2.gz IKZBUYUAHWNJKH-UHFFFAOYSA-N 0 1 387.531 3.626 20 10 GHCDMN CCOC(=O)c1c(F)cc(NCc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC001167434135 840168344 /nfs/dbraw/zinc/16/83/44/840168344.db2.gz DEYWIGUGLNMZMW-UHFFFAOYSA-N 0 1 389.446 3.505 20 10 GHCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372887 843269861 /nfs/dbraw/zinc/26/98/61/843269861.db2.gz BOMXRRGSMWPSHB-HNNXBMFYSA-N 0 1 376.678 3.583 20 10 GHCDMN CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375123 843322481 /nfs/dbraw/zinc/32/24/81/843322481.db2.gz XJSQZQKVIQCAEP-MRXNPFEDSA-N 0 1 390.705 3.973 20 10 GHCDMN CCc1ccc(NC(=O)[C@H](C)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000108092327 843521207 /nfs/dbraw/zinc/52/12/07/843521207.db2.gz UXAQPFXEQNDPKZ-SFHVURJKSA-N 0 1 381.520 3.797 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1[O-] ZINC000277169683 845016293 /nfs/dbraw/zinc/01/62/93/845016293.db2.gz RUDOVBHHAOVCSF-MRXNPFEDSA-N 0 1 391.313 3.654 20 10 GHCDMN OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000280268731 846346344 /nfs/dbraw/zinc/34/63/44/846346344.db2.gz MHOUGJPVVCPPQP-ZDUSSCGKSA-N 0 1 389.757 3.616 20 10 GHCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000280496430 846415896 /nfs/dbraw/zinc/41/58/96/846415896.db2.gz FTTXSSDTKJHNEI-UHFFFAOYSA-N 0 1 378.563 3.822 20 10 GHCDMN COc1ccc(CN[C@H]2COc3cc(F)c(Br)cc32)c(O)c1OC ZINC000894264094 846602311 /nfs/dbraw/zinc/60/23/11/846602311.db2.gz USLWIMDKASPYBC-ZDUSSCGKSA-N 0 1 398.228 3.534 20 10 GHCDMN C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)C[C@H](C)O1 ZINC000113328406 847550007 /nfs/dbraw/zinc/55/00/07/847550007.db2.gz BLKODUBFVUOLAL-GJZGRUSLSA-N 0 1 388.895 3.585 20 10 GHCDMN O=C(Nc1cccc(F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731851837 861907506 /nfs/dbraw/zinc/90/75/06/861907506.db2.gz GXDAQWHAGPHUHG-KRWDZBQOSA-N 0 1 377.847 3.971 20 10 GHCDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106471 852079580 /nfs/dbraw/zinc/07/95/80/852079580.db2.gz KNXQLSWKHDZLJU-FZKQIMNGSA-N 0 1 394.441 3.733 20 10 GHCDMN CCCC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000054446079 855154849 /nfs/dbraw/zinc/15/48/49/855154849.db2.gz ICSOERBKQQYHAW-HNNXBMFYSA-N 0 1 391.533 3.806 20 10 GHCDMN CCCC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000054446079 855154853 /nfs/dbraw/zinc/15/48/53/855154853.db2.gz ICSOERBKQQYHAW-HNNXBMFYSA-N 0 1 391.533 3.806 20 10 GHCDMN CC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C)cc1O ZINC000280894784 862735535 /nfs/dbraw/zinc/73/55/35/862735535.db2.gz FILODFAIEOKMJK-WBVHZDCISA-N 0 1 377.282 3.730 20 10 GHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000733327115 862868565 /nfs/dbraw/zinc/86/85/65/862868565.db2.gz KNOUVRRCQLNZBS-MRXNPFEDSA-N 0 1 384.499 3.609 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNCc3c4c(nn3C)CCOC4)cc2Cl)C1 ZINC000922104897 857844651 /nfs/dbraw/zinc/84/46/51/857844651.db2.gz PDKNDGKZKUTNFF-HNNXBMFYSA-N 0 1 388.943 3.672 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC(C)(CC)CC3)cc2F)CC1 ZINC000730133788 860873387 /nfs/dbraw/zinc/87/33/87/860873387.db2.gz FUIRVLUBKZJLRI-UHFFFAOYSA-N 0 1 390.547 3.689 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C/Sc3ccccc3)cc2F)CC1 ZINC000730194257 860937828 /nfs/dbraw/zinc/93/78/28/860937828.db2.gz DAAHELXFVJTUBJ-XNTDXEJSSA-N 0 1 399.535 3.890 20 10 GHCDMN CN(c1ccc(CNC(=O)N2CCN(C3CCC3)CC2)cc1)C1CCCCC1 ZINC000733644428 863093980 /nfs/dbraw/zinc/09/39/80/863093980.db2.gz IIULWTNRUOTSHJ-UHFFFAOYSA-N 0 1 384.568 3.835 20 10 GHCDMN CN(C)c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1F ZINC000733800438 863191844 /nfs/dbraw/zinc/19/18/44/863191844.db2.gz QPYBWLXAVHFYFD-QGZVFWFLSA-N 0 1 395.400 3.806 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000186141923 863293224 /nfs/dbraw/zinc/29/32/24/863293224.db2.gz SANMEKCMZLXCTA-CQSZACIVSA-N 0 1 390.530 3.544 20 10 GHCDMN Cc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)[nH]n2)cc1C ZINC000444109559 863437722 /nfs/dbraw/zinc/43/77/22/863437722.db2.gz CQLCOZGVRGTBDC-UHFFFAOYSA-N 0 1 376.460 3.799 20 10 GHCDMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792797769 881678310 /nfs/dbraw/zinc/67/83/10/881678310.db2.gz PNFMRONPCXGJDQ-HNNXBMFYSA-N 0 1 385.474 3.756 20 10 GHCDMN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)N1CCCCCC1 ZINC000733931045 863872810 /nfs/dbraw/zinc/87/28/10/863872810.db2.gz LIINPDVBPKTSPS-INIZCTEOSA-N 0 1 385.474 3.908 20 10 GHCDMN Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000736258712 865166272 /nfs/dbraw/zinc/16/62/72/865166272.db2.gz WUYBVGQXNOXZGS-UHFFFAOYSA-N 0 1 395.547 3.587 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000103595651 881843620 /nfs/dbraw/zinc/84/36/20/881843620.db2.gz HDLWWZXGPDWJSG-QAPCUYQASA-N 0 1 387.480 3.581 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000151873496 865816587 /nfs/dbraw/zinc/81/65/87/865816587.db2.gz QQOJZNSARYHLKH-UHFFFAOYSA-N 0 1 378.194 3.542 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)C(F)(F)C2)C1 ZINC000444408047 866082419 /nfs/dbraw/zinc/08/24/19/866082419.db2.gz QHHNEQYUPYJBTL-MRXNPFEDSA-N 0 1 389.490 3.912 20 10 GHCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000793249634 882046408 /nfs/dbraw/zinc/04/64/08/882046408.db2.gz HISFPVJLVOVJIT-AWEZNQCLSA-N 0 1 393.119 3.654 20 10 GHCDMN COc1cccc([C@H](C)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000183697755 867288642 /nfs/dbraw/zinc/28/86/42/867288642.db2.gz RWPYQPDBDULISY-INIZCTEOSA-N 0 1 386.492 3.604 20 10 GHCDMN Cc1cc(CNCCS(=O)(=O)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000742685453 867482910 /nfs/dbraw/zinc/48/29/10/867482910.db2.gz JZPNOCAHWVOWBD-UHFFFAOYSA-N 0 1 382.529 3.966 20 10 GHCDMN COc1cc(Cl)cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000793349619 882145884 /nfs/dbraw/zinc/14/58/84/882145884.db2.gz UHOVFFPXXVVEAK-CYBMUJFWSA-N 0 1 391.773 3.776 20 10 GHCDMN CCN(CC(=O)NCc1ccc(C)cc1)Cc1cc(Br)ccc1O ZINC000743871116 868468222 /nfs/dbraw/zinc/46/82/22/868468222.db2.gz ROGCECJCWJAPNY-UHFFFAOYSA-N 0 1 391.309 3.601 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000775521873 870287355 /nfs/dbraw/zinc/28/73/55/870287355.db2.gz CXDFXDSAHALMDL-GOEBONIOSA-N 0 1 384.314 3.924 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775526245 870340238 /nfs/dbraw/zinc/34/02/38/870340238.db2.gz PEEUFYBMGJPWMM-WBVHZDCISA-N 0 1 382.273 3.938 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000775525817 870378601 /nfs/dbraw/zinc/37/86/01/870378601.db2.gz FUJWUOSWYNZRDH-NFAWXSAZSA-N 0 1 390.343 3.551 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cscn2)C1 ZINC000617822370 870951507 /nfs/dbraw/zinc/95/15/07/870951507.db2.gz MCGXRCWESVTCJA-HNNXBMFYSA-N 0 1 382.533 3.742 20 10 GHCDMN CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247249 870972963 /nfs/dbraw/zinc/97/29/63/870972963.db2.gz QSEYECVOZHPRIF-KRWDZBQOSA-N 0 1 388.895 3.782 20 10 GHCDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247249 870972975 /nfs/dbraw/zinc/97/29/75/870972975.db2.gz QSEYECVOZHPRIF-KRWDZBQOSA-N 0 1 388.895 3.782 20 10 GHCDMN O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cc(O)c(O)c(Cl)c1 ZINC001193625953 871196606 /nfs/dbraw/zinc/19/66/06/871196606.db2.gz PYURSVRFDZZGHA-UHFFFAOYSA-N 0 1 380.231 3.644 20 10 GHCDMN C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634279 871200065 /nfs/dbraw/zinc/20/00/65/871200065.db2.gz UHGTZOGBQNMQQO-VIFPVBQESA-N 0 1 384.657 3.875 20 10 GHCDMN CCOC(=O)N1CCC[C@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CC1 ZINC001169703209 871785255 /nfs/dbraw/zinc/78/52/55/871785255.db2.gz KUIWJAVYCHBGNX-INIZCTEOSA-N 0 1 385.508 3.556 20 10 GHCDMN O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775649099 872325037 /nfs/dbraw/zinc/32/50/37/872325037.db2.gz LCFNYWIWBPZIDH-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775649099 872325044 /nfs/dbraw/zinc/32/50/44/872325044.db2.gz LCFNYWIWBPZIDH-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(Br)cc1O ZINC000857875370 882605573 /nfs/dbraw/zinc/60/55/73/882605573.db2.gz LPAYJALPEDUCBQ-GTNSWQLSSA-N 0 1 375.266 3.519 20 10 GHCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775737106 873284995 /nfs/dbraw/zinc/28/49/95/873284995.db2.gz AUDUQDHDFFDGRK-UHFFFAOYSA-N 0 1 381.108 3.774 20 10 GHCDMN COc1cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(O)cc1C ZINC000768442039 873305603 /nfs/dbraw/zinc/30/56/03/873305603.db2.gz HOSWAVAIZUCUFF-UHFFFAOYSA-N 0 1 388.895 3.711 20 10 GHCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768446597 873309637 /nfs/dbraw/zinc/30/96/37/873309637.db2.gz ZBTDUHAOYPBEOA-OFNKIYASSA-N 0 1 396.531 3.695 20 10 GHCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768446597 873309648 /nfs/dbraw/zinc/30/96/48/873309648.db2.gz ZBTDUHAOYPBEOA-OFNKIYASSA-N 0 1 396.531 3.695 20 10 GHCDMN CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915086 873683290 /nfs/dbraw/zinc/68/32/90/873683290.db2.gz JFJYCJGEIRHKPR-PXNSSMCTSA-N 0 1 394.943 3.864 20 10 GHCDMN CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c(O)c1 ZINC000769483207 874064970 /nfs/dbraw/zinc/06/49/70/874064970.db2.gz HANRWULDCBUZQR-MAUKXSAKSA-N 0 1 378.513 3.916 20 10 GHCDMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccc1 ZINC000771059427 875014202 /nfs/dbraw/zinc/01/42/02/875014202.db2.gz RDLDWGISOWYKNE-CRAIPNDOSA-N 0 1 375.900 3.579 20 10 GHCDMN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(N4CCN(C)CC4)cc3)nc12 ZINC000771517060 875308799 /nfs/dbraw/zinc/30/87/99/875308799.db2.gz BVQUKUYFVOIGJD-XMHGGMMESA-N 0 1 394.906 3.720 20 10 GHCDMN CN1CCN(c2ccc([C@H]3Nc4c5ccccc5sc4C(=O)N3)cc2)CC1 ZINC000771518185 875308896 /nfs/dbraw/zinc/30/88/96/875308896.db2.gz OLZUDCLUDJSMIC-FQEVSTJZSA-N 0 1 378.501 3.507 20 10 GHCDMN COc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1OC ZINC000771791354 875462217 /nfs/dbraw/zinc/46/22/17/875462217.db2.gz ONKAHUORDZYSHG-UHFFFAOYSA-N 0 1 385.508 3.619 20 10 GHCDMN O=[N+]([O-])c1cc(CNC[C@H](n2cccn2)C(F)(F)F)ccc1N1CCCCC1 ZINC000858209489 882943540 /nfs/dbraw/zinc/94/35/40/882943540.db2.gz MGYOORWDVUPWQQ-KRWDZBQOSA-N 0 1 397.401 3.675 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nc2c(s1)CCCC2 ZINC000772445169 875962686 /nfs/dbraw/zinc/96/26/86/875962686.db2.gz OWLAOMPLNRFCHH-DOTOQJQBSA-N 0 1 398.576 3.574 20 10 GHCDMN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)c(F)cc1Br ZINC000858274338 882996319 /nfs/dbraw/zinc/99/63/19/882996319.db2.gz YUXLDWPPLGOVTP-UHFFFAOYSA-N 0 1 397.263 3.854 20 10 GHCDMN COc1cc(F)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000850565381 877030287 /nfs/dbraw/zinc/03/02/87/877030287.db2.gz DEBYCKGQRXNFNM-OAHLLOKOSA-N 0 1 388.483 3.655 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[O-] ZINC000850580507 877052521 /nfs/dbraw/zinc/05/25/21/877052521.db2.gz NWNSCAYQVOKYQV-ANRSDYALSA-N 0 1 390.199 3.956 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[O-] ZINC000850580510 877052943 /nfs/dbraw/zinc/05/29/43/877052943.db2.gz NWNSCAYQVOKYQV-VXJOIVPMSA-N 0 1 390.199 3.956 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858432387 883093809 /nfs/dbraw/zinc/09/38/09/883093809.db2.gz QZEONGBRXJKUKR-SFHVURJKSA-N 0 1 390.531 3.899 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(Br)ccc1[O-] ZINC000787010432 877079090 /nfs/dbraw/zinc/07/90/90/877079090.db2.gz NBNSDSOWHQNXOQ-DDBGAENHSA-N 0 1 394.265 3.656 20 10 GHCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179573009 877712857 /nfs/dbraw/zinc/71/28/57/877712857.db2.gz WNXWQWKRWLGQQW-OAHLLOKOSA-N 0 1 391.462 3.663 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)Cc3cnc[nH]3)cc2Cl)C1 ZINC000852308857 878226194 /nfs/dbraw/zinc/22/61/94/878226194.db2.gz PZDJNGHQMALPKV-CQSZACIVSA-N 0 1 375.904 3.641 20 10 GHCDMN C[C@H](NC(=O)CN(C)Cc1ccccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000111235209 878959826 /nfs/dbraw/zinc/95/98/26/878959826.db2.gz SPLLORCAACFNMW-ZDUSSCGKSA-N 0 1 382.382 3.600 20 10 GHCDMN NC(=O)c1cccc2c1CC[N@H+](Cc1c3c(ccc1[O-])oc1c3CCCC1)C2 ZINC000853621509 879178927 /nfs/dbraw/zinc/17/89/27/879178927.db2.gz QSMJUQQXWNEZGO-UHFFFAOYSA-N 0 1 376.456 3.674 20 10 GHCDMN NC(=O)c1cccc2c1CC[N@@H+](Cc1c3c(ccc1[O-])oc1c3CCCC1)C2 ZINC000853621509 879178932 /nfs/dbraw/zinc/17/89/32/879178932.db2.gz QSMJUQQXWNEZGO-UHFFFAOYSA-N 0 1 376.456 3.674 20 10 GHCDMN Cn1cc(C[N@@H+](C)Cc2cc(Br)ccc2O)c(C(F)(F)F)n1 ZINC000180790658 879320914 /nfs/dbraw/zinc/32/09/14/879320914.db2.gz FGGDDYRPOJKUGN-UHFFFAOYSA-N 0 1 378.192 3.539 20 10 GHCDMN CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc(Br)ccc1O ZINC000180790658 879320934 /nfs/dbraw/zinc/32/09/34/879320934.db2.gz FGGDDYRPOJKUGN-UHFFFAOYSA-N 0 1 378.192 3.539 20 10 GHCDMN O=C(Nc1nnc(SCc2cccs2)s1)c1c(F)ccc(O)c1O ZINC000790069703 879413505 /nfs/dbraw/zinc/41/35/05/879413505.db2.gz PGEFJOFKJSLLTK-UHFFFAOYSA-N 0 1 383.451 3.695 20 10 GHCDMN CC1(C)CN(Cc2cc(Br)cc(Br)c2O)CCC1=O ZINC001203568425 912513256 /nfs/dbraw/zinc/51/32/56/912513256.db2.gz MCLYOXLUHUZWRE-UHFFFAOYSA-N 0 1 391.103 3.718 20 10 GHCDMN CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986871 880118097 /nfs/dbraw/zinc/11/80/97/880118097.db2.gz YHZGFXGNSKJIEO-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2c([O-])ccc(Cl)c2F)C1 ZINC000790986871 880118104 /nfs/dbraw/zinc/11/81/04/880118104.db2.gz YHZGFXGNSKJIEO-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN COc1ccc(NC(=O)[C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792167682 880959443 /nfs/dbraw/zinc/95/94/43/880959443.db2.gz YLOCDWSYUOUASK-MRXNPFEDSA-N 0 1 378.831 3.796 20 10 GHCDMN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1cc(Cl)cc(Cl)c1O ZINC000804943689 883476842 /nfs/dbraw/zinc/47/68/42/883476842.db2.gz GHJOUCVJACQVCV-UHFFFAOYSA-N 0 1 399.665 4.000 20 10 GHCDMN CCCOc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000805090158 883604155 /nfs/dbraw/zinc/60/41/55/883604155.db2.gz ZTRAIPIUBGHBGE-UHFFFAOYSA-N 0 1 384.263 3.882 20 10 GHCDMN CC(C)(C)c1cc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000805134977 883613725 /nfs/dbraw/zinc/61/37/25/883613725.db2.gz MDRWDBZMVAKPAO-UHFFFAOYSA-N 0 1 393.292 3.604 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2cccnc21 ZINC000805135329 883616611 /nfs/dbraw/zinc/61/66/11/883616611.db2.gz JTZYHVZWXKQQEK-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])N1CC(F)(F)F ZINC001275237244 912785519 /nfs/dbraw/zinc/78/55/19/912785519.db2.gz WIPJMYUKYBQKBY-CHWSQXEVSA-N 0 1 397.224 3.827 20 10 GHCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241787 912794609 /nfs/dbraw/zinc/79/46/09/912794609.db2.gz JFFZSTJUEJZXCH-KUHUBIRLSA-N 0 1 395.341 3.910 20 10 GHCDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n[nH]1 ZINC000860223783 884447429 /nfs/dbraw/zinc/44/74/29/884447429.db2.gz SWHGZVBYJZMIDX-AWEZNQCLSA-N 0 1 378.476 3.608 20 10 GHCDMN Cn1cc([C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C(F)(F)F)cn1 ZINC000806466094 884734004 /nfs/dbraw/zinc/73/40/04/884734004.db2.gz OKLUZSUHCVNZPS-LBPRGKRZSA-N 0 1 397.184 3.535 20 10 GHCDMN CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000914851000 884954791 /nfs/dbraw/zinc/95/47/91/884954791.db2.gz TWTJMQZRKWYIPF-UHFFFAOYSA-N 0 1 375.475 3.795 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000762173919 885558087 /nfs/dbraw/zinc/55/80/87/885558087.db2.gz WLQYPYAOTDYDOO-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000807837259 885802836 /nfs/dbraw/zinc/80/28/36/885802836.db2.gz JAHWKGBQZNVRGA-UONOGXRCSA-N 0 1 394.254 3.890 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000777221988 885876361 /nfs/dbraw/zinc/87/63/61/885876361.db2.gz OXGVPQFKOYOJII-CYBMUJFWSA-N 0 1 391.103 3.528 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Br)cc2cccnc21 ZINC000808066573 885969820 /nfs/dbraw/zinc/96/98/20/885969820.db2.gz 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CC[C@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212795 888291147 /nfs/dbraw/zinc/29/11/47/888291147.db2.gz YUOPFGYYJAFPOB-KRWDZBQOSA-N 0 1 396.409 3.890 20 10 GHCDMN CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213440 888291719 /nfs/dbraw/zinc/29/17/19/888291719.db2.gz SAWDUNDMVDQPGW-INIZCTEOSA-N 0 1 387.423 3.926 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228187 888302468 /nfs/dbraw/zinc/30/24/68/888302468.db2.gz RCDNZPKBSUTAQQ-RYQLBKOJSA-N 0 1 383.410 3.936 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866436010 888876507 /nfs/dbraw/zinc/87/65/07/888876507.db2.gz IUCNMRBFTUYRDM-AAEUAGOBSA-N 0 1 393.207 3.591 20 10 GHCDMN C[C@@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N2CCCCCC2)cc1 ZINC000866441505 888878491 /nfs/dbraw/zinc/87/84/91/888878491.db2.gz LMYQEJYEUXYLBI-QGZVFWFLSA-N 0 1 383.540 3.930 20 10 GHCDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1)C(F)(F)F 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GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816665596 895010253 /nfs/dbraw/zinc/01/02/53/895010253.db2.gz NJFDUWXCKJXMQN-JTQLQIEISA-N 0 1 393.119 3.512 20 10 GHCDMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128554567 895789990 /nfs/dbraw/zinc/78/99/90/895789990.db2.gz NBFYJMFMBLHDGE-WOJBJXKFSA-N 0 1 395.547 3.529 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048061 896360990 /nfs/dbraw/zinc/36/09/90/896360990.db2.gz DYZSXOITQFAMQV-YWZLYKJASA-N 0 1 386.492 3.659 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048061 896361006 /nfs/dbraw/zinc/36/10/06/896361006.db2.gz DYZSXOITQFAMQV-YWZLYKJASA-N 0 1 386.492 3.659 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000819581762 896824927 /nfs/dbraw/zinc/82/49/27/896824927.db2.gz FBEWGSUWPRHDMX-WMZHIEFXSA-N 0 1 395.547 3.721 20 10 GHCDMN Cc1csc2nc(CN(C)Cc3ccc(N4CCCCC4)cc3)cc(=O)n12 ZINC000131581015 897523779 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3.662 20 10 GHCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000824830512 899852306 /nfs/dbraw/zinc/85/23/06/899852306.db2.gz TZXIGUHHIURYJE-ONGXEEELSA-N 0 1 397.224 3.542 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000825117601 899988857 /nfs/dbraw/zinc/98/88/57/899988857.db2.gz HZVZRKWXKCCMEZ-DJIMGWMZSA-N 0 1 394.313 3.638 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl ZINC000825138755 900002260 /nfs/dbraw/zinc/00/22/60/900002260.db2.gz VTJUZPVOSDLIHG-UHFFFAOYSA-N 0 1 378.875 3.744 20 10 GHCDMN C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825376124 900133620 /nfs/dbraw/zinc/13/36/20/900133620.db2.gz VHICNGZEUADDQS-AWEZNQCLSA-N 0 1 390.325 3.865 20 10 GHCDMN CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1nnc2ccccn21 ZINC000825422063 900158174 /nfs/dbraw/zinc/15/81/74/900158174.db2.gz KAOZBICAWMGEJM-MRXNPFEDSA-N 0 1 375.270 3.684 20 10 GHCDMN CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144299816 901651487 /nfs/dbraw/zinc/65/14/87/901651487.db2.gz JJOLHRZGYSDBNB-SFHVURJKSA-N 0 1 399.304 3.517 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1cc(Br)c(F)cc1O ZINC001144307693 901698195 /nfs/dbraw/zinc/69/81/95/901698195.db2.gz FPLGZBVRBQQNNU-AWEZNQCLSA-N 0 1 389.265 3.693 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2ccccc2I)c1 ZINC000845971937 902553206 /nfs/dbraw/zinc/55/32/06/902553206.db2.gz HKXZGBQONZJEPL-LLVKDONJSA-N 0 1 383.229 3.856 20 10 GHCDMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000846181611 902770087 /nfs/dbraw/zinc/77/00/87/902770087.db2.gz COEAMQCHEKRIGJ-ZSDSOXJFSA-N 0 1 376.447 3.574 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1O ZINC000290535021 914722206 /nfs/dbraw/zinc/72/22/06/914722206.db2.gz OQDLNOPTCARVLP-UHFFFAOYSA-N 0 1 390.383 3.532 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1cccc(C)c1 ZINC000773315122 904707231 /nfs/dbraw/zinc/70/72/31/904707231.db2.gz NJJROYDLWLKPGN-MRXNPFEDSA-N 0 1 380.448 3.511 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163048 905033812 /nfs/dbraw/zinc/03/38/12/905033812.db2.gz VHGQRWGUGRGCNL-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163048 905033830 /nfs/dbraw/zinc/03/38/30/905033830.db2.gz VHGQRWGUGRGCNL-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN CN1CCN(c2cccc(-n3c(=N)ccc(/N=N/c4ccccc4)c3N)c2)CC1 ZINC001212710699 906232368 /nfs/dbraw/zinc/23/23/68/906232368.db2.gz LQEGLYKFPNZLGE-ALNQNNHBSA-N 0 1 387.491 3.706 20 10 GHCDMN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185027788 907699403 /nfs/dbraw/zinc/69/94/03/907699403.db2.gz TVRBIXHGMQTUFF-GFCCVEGCSA-N 0 1 377.282 3.755 20 10 GHCDMN CCOc1ccc(-c2cn(C3CN(Cc4cccc(Cl)c4O)C3)nn2)cc1 ZINC000779613635 907889013 /nfs/dbraw/zinc/88/90/13/907889013.db2.gz OXJDSNDMTJJSSX-UHFFFAOYSA-N 0 1 384.867 3.760 20 10 GHCDMN CCOc1ccc(-c2cn(C3C[NH+](Cc4cccc(Cl)c4[O-])C3)nn2)cc1 ZINC000779613635 907889023 /nfs/dbraw/zinc/88/90/23/907889023.db2.gz OXJDSNDMTJJSSX-UHFFFAOYSA-N 0 1 384.867 3.760 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000779617057 907895735 /nfs/dbraw/zinc/89/57/35/907895735.db2.gz ZLJUFZKXPSPGJN-MRXNPFEDSA-N 0 1 389.814 3.808 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000192815096 907930879 /nfs/dbraw/zinc/93/08/79/907930879.db2.gz JYEYQIGCFQNPNR-HOCLYGCPSA-N 0 1 391.313 3.654 20 10 GHCDMN COc1ccc(Br)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001177429231 908587907 /nfs/dbraw/zinc/58/79/07/908587907.db2.gz TZOXQLPEKFCILY-UHFFFAOYSA-N 0 1 390.325 3.822 20 10 GHCDMN Fc1cc(CN[C@H](c2ccccc2)c2cccnc2)ccc1N1CCOCC1 ZINC001177656838 908703774 /nfs/dbraw/zinc/70/37/74/908703774.db2.gz MNOIKPXYPFSRBS-HSZRJFAPSA-N 0 1 377.463 3.937 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCC[C@@H](O)C2)C1 ZINC000795547929 911057816 /nfs/dbraw/zinc/05/78/16/911057816.db2.gz WSTCOKGXTWEYIC-QZTJIDSGSA-N 0 1 384.520 3.502 20 10 GHCDMN Cc1ccc(O)c(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1 ZINC000092615390 911654648 /nfs/dbraw/zinc/65/46/48/911654648.db2.gz TXIDXALSVLWEOO-OAHLLOKOSA-N 0 1 384.505 3.691 20 10 GHCDMN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000774452920 911757720 /nfs/dbraw/zinc/75/77/20/911757720.db2.gz PMQLOTIDFGBCOY-UKRRQHHQSA-N 0 1 393.329 3.516 20 10 GHCDMN C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000284468115 911878749 /nfs/dbraw/zinc/87/87/49/911878749.db2.gz VQANHAMKIGUGME-CYBMUJFWSA-N 0 1 381.398 3.510 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC001187463442 915274081 /nfs/dbraw/zinc/27/40/81/915274081.db2.gz ZRNLCIFIFBGTEW-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)cc1 ZINC001191451334 917983542 /nfs/dbraw/zinc/98/35/42/917983542.db2.gz UNXMWRLFAMLITF-UHFFFAOYSA-N 0 1 390.244 3.677 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc(Cl)ccc1[O-] ZINC000775488624 918264221 /nfs/dbraw/zinc/26/42/21/918264221.db2.gz PMUIEXJZMUKVHF-KBXCAEBGSA-N 0 1 375.900 3.907 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837880 918331787 /nfs/dbraw/zinc/33/17/87/918331787.db2.gz OTAZVHLSCBQLQP-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837880 918331803 /nfs/dbraw/zinc/33/18/03/918331803.db2.gz OTAZVHLSCBQLQP-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275838038 918336578 /nfs/dbraw/zinc/33/65/78/918336578.db2.gz SFHXVXNFAVDXFU-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775498078 918365378 /nfs/dbraw/zinc/36/53/78/918365378.db2.gz GRWWYKVGJFMEJQ-YVEFUNNKSA-N 0 1 382.913 3.756 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Br)ccc1[O-] ZINC000775503951 918459535 /nfs/dbraw/zinc/45/95/35/918459535.db2.gz QUUYGQLRMPLZBX-SJLPKXTDSA-N 0 1 397.357 3.839 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000801114472 920788647 /nfs/dbraw/zinc/78/86/47/920788647.db2.gz QQGGOONJHPSKGD-OAQYLSRUSA-N 0 1 395.547 3.587 20 10 GHCDMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000298935391 921067604 /nfs/dbraw/zinc/06/76/04/921067604.db2.gz FCDNPEVCLCQTDO-UHFFFAOYSA-N 0 1 394.523 3.544 20 10 GHCDMN COc1ccc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1 ZINC000827354782 925332311 /nfs/dbraw/zinc/33/23/11/925332311.db2.gz SHCIUOUYDNXDRA-UHFFFAOYSA-N 0 1 384.520 3.951 20 10 GHCDMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000759102014 930274170 /nfs/dbraw/zinc/27/41/70/930274170.db2.gz MTKINKZDEHJHGJ-UHFFFAOYSA-N 0 1 381.425 3.551 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000781619447 930910024 /nfs/dbraw/zinc/91/00/24/930910024.db2.gz PYMAKNZMZGLIBZ-LJQANCHMSA-N 0 1 379.548 3.938 20 10 GHCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000924706622 931481072 /nfs/dbraw/zinc/48/10/72/931481072.db2.gz QTRJGMVTDDUCLA-GFCCVEGCSA-N 0 1 383.414 3.998 20 10 GHCDMN CO[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1C ZINC000784668442 931971930 /nfs/dbraw/zinc/97/19/30/931971930.db2.gz OVAFKKBTHIVAKI-ZANVPECISA-N 0 1 393.119 3.774 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000797141554 932199269 /nfs/dbraw/zinc/19/92/69/932199269.db2.gz QMSQLMFHFXROSD-OUAUKWLOSA-N 0 1 382.917 3.773 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC001120025181 934438916 /nfs/dbraw/zinc/43/89/16/934438916.db2.gz CUDRMEJCJQFAOE-UHFFFAOYSA-N 0 1 389.883 3.747 20 10 GHCDMN COC1CCN(c2ccc(CN3CCO[C@]4(CCc5ccccc54)C3)cc2)CC1 ZINC000828480087 935641793 /nfs/dbraw/zinc/64/17/93/935641793.db2.gz KGKJDPSOIYOOBJ-RUZDIDTESA-N 0 1 392.543 3.976 20 10 GHCDMN COC1CCN(c2ccc(CN3CCO[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000828729408 935695264 /nfs/dbraw/zinc/69/52/64/935695264.db2.gz HMXBROGGLQEXGY-DEOSSOPVSA-N 0 1 380.532 3.745 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137834664 935814126 /nfs/dbraw/zinc/81/41/26/935814126.db2.gz OPCUQBPVZPAJPK-QHCPKHFHSA-N 0 1 382.479 3.589 20 10 GHCDMN COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599408159 997368952 /nfs/dbraw/zinc/36/89/52/997368952.db2.gz KLSZHVZLAWPUNP-RBUKOAKNSA-N 0 1 383.488 3.999 20 10 GHCDMN CCO[C@H](C)COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227659543 1032508322 /nfs/dbraw/zinc/50/83/22/1032508322.db2.gz RLVAWMFTTAXHLE-SECBINFHSA-N 0 1 386.356 3.613 20 10 GHCDMN CC(C)OCCOc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227663052 1032510340 /nfs/dbraw/zinc/51/03/40/1032510340.db2.gz OMWMOUQUFCURLK-UHFFFAOYSA-N 0 1 386.356 3.613 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)C[C@@H]1c1ccccc1 ZINC001204278892 1032719799 /nfs/dbraw/zinc/71/97/99/1032719799.db2.gz MCXVBPWCZFTNJG-LJQANCHMSA-N 0 1 384.476 3.892 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001204340461 1032783073 /nfs/dbraw/zinc/78/30/73/1032783073.db2.gz RXMBXASBOXRLOS-MRXNPFEDSA-N 0 1 393.281 3.602 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C(F)(F)F)CC2)C1 ZINC000565732866 1019200270 /nfs/dbraw/zinc/20/02/70/1019200270.db2.gz NBORZZNOIQNOPS-UHFFFAOYSA-N 0 1 393.453 3.867 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000246266310 1021050363 /nfs/dbraw/zinc/05/03/63/1021050363.db2.gz RLVFSFPAKVXTKV-JBACZVJFSA-N 0 1 386.536 3.554 20 10 GHCDMN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cccc2[nH]ncc21 ZINC000834514631 1021238583 /nfs/dbraw/zinc/23/85/83/1021238583.db2.gz SRRWIRJKXGMAFN-UHFFFAOYSA-N 0 1 394.475 3.565 20 10 GHCDMN C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288038 1021322041 /nfs/dbraw/zinc/32/20/41/1021322041.db2.gz IAQKOPPVVNWILJ-LJQANCHMSA-N 0 1 397.538 3.666 20 10 GHCDMN O=C1NCCN1CC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000902583995 1021520148 /nfs/dbraw/zinc/52/01/48/1021520148.db2.gz JBUGDBAALYAEFG-UHFFFAOYSA-N 0 1 379.460 3.529 20 10 GHCDMN COc1cc(Br)cc([C@H](C)NCc2nc3c(s2)CCC3)c1O ZINC000903190553 1021582257 /nfs/dbraw/zinc/58/22/57/1021582257.db2.gz ABCDQOHJMYAFBX-VIFPVBQESA-N 0 1 383.311 3.959 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001140465520 1021761104 /nfs/dbraw/zinc/76/11/04/1021761104.db2.gz OZMCSOILODAGJD-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001140465520 1021761117 /nfs/dbraw/zinc/76/11/17/1021761117.db2.gz OZMCSOILODAGJD-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN Cc1ccc([C@H](NC/C=C/c2ccc(N(C)C)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000835051541 1021817774 /nfs/dbraw/zinc/81/77/74/1021817774.db2.gz JNORWHCNHGIXJD-VWOJUMNXSA-N 0 1 386.561 3.838 20 10 GHCDMN Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581746 1022002693 /nfs/dbraw/zinc/00/26/93/1022002693.db2.gz YYBGSMREPSLCCO-UHFFFAOYSA-N 0 1 391.462 3.906 20 10 GHCDMN Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581746 1022002701 /nfs/dbraw/zinc/00/27/01/1022002701.db2.gz YYBGSMREPSLCCO-UHFFFAOYSA-N 0 1 391.462 3.906 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140582758 1022003426 /nfs/dbraw/zinc/00/34/26/1022003426.db2.gz MCGUEJXOEXEXGK-HXUWFJFHSA-N 0 1 382.451 3.893 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140583205 1022004943 /nfs/dbraw/zinc/00/49/43/1022004943.db2.gz ZAULTAVYZWPIQU-UHFFFAOYSA-N 0 1 382.451 3.893 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](CC)c1ccc(Cl)s1)cc2=O ZINC000754323488 1022620834 /nfs/dbraw/zinc/62/08/34/1022620834.db2.gz BPAILLLPKHLZIM-GFCCVEGCSA-N 0 1 394.884 3.567 20 10 GHCDMN CC(C)OCc1ncn2c1CN(Cc1cc3c4c(c1)CCCN4CCC3)CCC2 ZINC001141076190 1023438905 /nfs/dbraw/zinc/43/89/05/1023438905.db2.gz MJCJQNXWQPYZJU-UHFFFAOYSA-N 0 1 394.563 3.913 20 10 GHCDMN CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076401 1023439180 /nfs/dbraw/zinc/43/91/80/1023439180.db2.gz QRFBWKVAJDMAEI-UHFFFAOYSA-N 0 1 397.563 3.875 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2cn(CC)nc21 ZINC001141077065 1023440160 /nfs/dbraw/zinc/44/01/60/1023440160.db2.gz MEJIQVVNUATGGU-QFIPXVFZSA-N 0 1 394.563 3.738 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)ccc1[O-] ZINC000756710319 1023784012 /nfs/dbraw/zinc/78/40/12/1023784012.db2.gz BCERBKQVUDDZNE-NHYWBVRUSA-N 0 1 393.256 3.750 20 10 GHCDMN COc1cc(NCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc(OC)c1 ZINC000756769410 1023807906 /nfs/dbraw/zinc/80/79/06/1023807906.db2.gz QIEZEJAATJRTOM-GFCCVEGCSA-N 0 1 395.297 3.935 20 10 GHCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000830529622 1023969582 /nfs/dbraw/zinc/96/95/82/1023969582.db2.gz NAVKIYZEROFWNJ-INIZCTEOSA-N 0 1 381.314 3.568 20 10 GHCDMN O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000830529622 1023969585 /nfs/dbraw/zinc/96/95/85/1023969585.db2.gz NAVKIYZEROFWNJ-INIZCTEOSA-N 0 1 381.314 3.568 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(O)c4ccccc34)CC2)c(OC)c1 ZINC001138062396 1023970794 /nfs/dbraw/zinc/97/07/94/1023970794.db2.gz KRDYDSDFQQXVHA-UHFFFAOYSA-N 0 1 378.472 3.885 20 10 GHCDMN C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545313 1023977576 /nfs/dbraw/zinc/97/75/76/1023977576.db2.gz XHUUGWDBXWBXCO-YOEHRIQHSA-N 0 1 376.884 3.598 20 10 GHCDMN C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830545313 1023977577 /nfs/dbraw/zinc/97/75/77/1023977577.db2.gz XHUUGWDBXWBXCO-YOEHRIQHSA-N 0 1 376.884 3.598 20 10 GHCDMN Cc1c(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c2ccccc2n1C ZINC001138253632 1024474350 /nfs/dbraw/zinc/47/43/50/1024474350.db2.gz AGAVOMNBHCHCSE-RBZQAINGSA-N 0 1 391.515 3.830 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001141370871 1024750493 /nfs/dbraw/zinc/75/04/93/1024750493.db2.gz ARXUTCHSZMZZEL-AWEZNQCLSA-N 0 1 383.673 3.856 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(OC)c1 ZINC001138391071 1024767124 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ZINC001140100268 1026878005 /nfs/dbraw/zinc/87/80/05/1026878005.db2.gz IPFZUWGPLLKHGW-UHFFFAOYSA-N 0 1 387.277 3.641 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001140100480 1026879132 /nfs/dbraw/zinc/87/91/32/1026879132.db2.gz QRYRXKVZGBLVLU-UHFFFAOYSA-N 0 1 379.342 3.995 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccncc2)Cc2ccccc2O)C1 ZINC001203561321 1027434186 /nfs/dbraw/zinc/43/41/86/1027434186.db2.gz QFVGSPZBIJOTSB-LJQANCHMSA-N 0 1 383.492 3.799 20 10 GHCDMN CCOc1cccc(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)c1O ZINC001203615719 1027479990 /nfs/dbraw/zinc/47/99/90/1027479990.db2.gz YVBPZNRTXKIIMM-UHFFFAOYSA-N 0 1 385.435 3.930 20 10 GHCDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1c1ccccc1 ZINC001203640101 1027499966 /nfs/dbraw/zinc/49/99/66/1027499966.db2.gz RPOQXPUSTRJLLO-AEFFLSMTSA-N 0 1 390.277 3.891 20 10 GHCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1c1ccccc1 ZINC001203640101 1027499974 /nfs/dbraw/zinc/49/99/74/1027499974.db2.gz RPOQXPUSTRJLLO-AEFFLSMTSA-N 0 1 390.277 3.891 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001203655973 1027508996 /nfs/dbraw/zinc/50/89/96/1027508996.db2.gz GXCFIZAQUYBFDT-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001203655973 1027509013 /nfs/dbraw/zinc/50/90/13/1027509013.db2.gz GXCFIZAQUYBFDT-PZJWPPBQSA-N 0 1 388.895 3.891 20 10 GHCDMN COc1ccc(O)c(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001203680174 1027526797 /nfs/dbraw/zinc/52/67/97/1027526797.db2.gz ILCAQFLCIJDKQV-UHFFFAOYSA-N 0 1 396.409 3.617 20 10 GHCDMN COc1ncc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1Cl ZINC000840757373 1027796179 /nfs/dbraw/zinc/79/61/79/1027796179.db2.gz IAFZHTHHUBKZGB-LBPRGKRZSA-N 0 1 397.853 3.709 20 10 GHCDMN Cc1c([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000840761274 1027802045 /nfs/dbraw/zinc/80/20/45/1027802045.db2.gz VESXWBPXMHSKMR-CQSZACIVSA-N 0 1 391.418 3.869 20 10 GHCDMN COc1ccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1OC ZINC000840761045 1027802152 /nfs/dbraw/zinc/80/21/52/1027802152.db2.gz OJQVTIUCMQGXHW-CQSZACIVSA-N 0 1 392.446 3.669 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c(Cl)c1 ZINC000840877217 1027915267 /nfs/dbraw/zinc/91/52/67/1027915267.db2.gz ZJHPZSXLFVCEGE-GASCZTMLSA-N 0 1 375.900 3.652 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840946516 1027977022 /nfs/dbraw/zinc/97/70/22/1027977022.db2.gz PMZZKZRAJBEJRI-GHMZBOCLSA-N 0 1 382.917 3.521 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1[O-] ZINC000841743903 1028906367 /nfs/dbraw/zinc/90/63/67/1028906367.db2.gz DDNFIGBVCPKNJR-MRXNPFEDSA-N 0 1 390.911 3.607 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841743878 1028907145 /nfs/dbraw/zinc/90/71/45/1028907145.db2.gz CUNKONJSIPRAER-CYBMUJFWSA-N 0 1 378.875 3.997 20 10 GHCDMN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)N(C)C)cc1 ZINC001215625917 1029313683 /nfs/dbraw/zinc/31/36/83/1029313683.db2.gz MQAJLYAKOJWEKF-OAQYLSRUSA-N 0 1 394.519 3.696 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614367 1029414729 /nfs/dbraw/zinc/41/47/29/1029414729.db2.gz HRZXHQQRCQEDMG-YLJYHZDGSA-N 0 1 381.472 3.720 20 10 GHCDMN CN(Cc1cc(-c2ccccc2)nn1C)Cc1ccc(N2CCOCC2)cc1 ZINC001143012944 1029781972 /nfs/dbraw/zinc/78/19/72/1029781972.db2.gz URSYTJSJKUGZJH-UHFFFAOYSA-N 0 1 376.504 3.556 20 10 GHCDMN COc1cc([O-])c(CN2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)c1 ZINC001222661045 1030265434 /nfs/dbraw/zinc/26/54/34/1030265434.db2.gz YNFPCAWJVSFRMS-OAHLLOKOSA-N 0 1 378.822 3.561 20 10 GHCDMN C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229191490 1033331228 /nfs/dbraw/zinc/33/12/28/1033331228.db2.gz AZWHODGQYULMSV-LBPRGKRZSA-N 0 1 382.412 3.667 20 10 GHCDMN COc1ccc([C@H](C)Oc2ccc3c(c2)C(=O)c2ccc(O)cc2C3=O)cn1 ZINC001229191839 1033332764 /nfs/dbraw/zinc/33/27/64/1033332764.db2.gz FAUXROIPLLGAFT-LBPRGKRZSA-N 0 1 375.380 3.711 20 10 GHCDMN COc1c(C)c(O[C@H]2C[C@H]3CC[C@@H](C2)N3C)cc2c1C(=O)c1ccccc1C2=O ZINC001229455806 1033491735 /nfs/dbraw/zinc/49/17/35/1033491735.db2.gz CVBPBNFDKQCZBG-ZSHCYNCHSA-N 0 1 391.467 3.783 20 10 GHCDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206567180 1033910534 /nfs/dbraw/zinc/91/05/34/1033910534.db2.gz XBAOMMSIBUJTLW-QGZVFWFLSA-N 0 1 392.507 3.590 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001206707773 1033953250 /nfs/dbraw/zinc/95/32/50/1033953250.db2.gz NAXXDXPBERVLRD-UHFFFAOYSA-N 0 1 386.192 3.809 20 10 GHCDMN COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O[C@@H](C)C1CC1 ZINC001230437770 1034057043 /nfs/dbraw/zinc/05/70/43/1034057043.db2.gz OMRNLBFCUXOCSD-JTQLQIEISA-N 0 1 384.384 3.763 20 10 GHCDMN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1[O-] ZINC001276517805 1034213642 /nfs/dbraw/zinc/21/36/42/1034213642.db2.gz IFEHLGSEXZUBNX-IUIKQTSFSA-N 0 1 399.304 3.658 20 10 GHCDMN Cc1ccc(C)c([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001231236620 1034476552 /nfs/dbraw/zinc/47/65/52/1034476552.db2.gz VEFKLAISUQGMAN-LJQANCHMSA-N 0 1 380.536 3.616 20 10 GHCDMN C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452825 1034596760 /nfs/dbraw/zinc/59/67/60/1034596760.db2.gz GONRUMKMOGZVSX-LLVKDONJSA-N 0 1 376.250 3.800 20 10 GHCDMN Cc1cccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1 ZINC001231466281 1034610058 /nfs/dbraw/zinc/61/00/58/1034610058.db2.gz PPGSJUQFQLKKHA-UHFFFAOYSA-N 0 1 389.499 3.997 20 10 GHCDMN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1=O ZINC001277541762 1034762913 /nfs/dbraw/zinc/76/29/13/1034762913.db2.gz YVDZIQFRIFVCLO-IBGZPJMESA-N 0 1 395.341 3.688 20 10 GHCDMN CCc1ccc(CN2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)nc1 ZINC001231639965 1034797008 /nfs/dbraw/zinc/79/70/08/1034797008.db2.gz DAPBLDZNQDXYIS-DEOSSOPVSA-N 0 1 395.547 3.772 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1Cl ZINC001231871275 1034957305 /nfs/dbraw/zinc/95/73/05/1034957305.db2.gz IRPIEBANGHLKQN-UHFFFAOYSA-N 0 1 376.859 3.888 20 10 GHCDMN Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccc4ccccc4c2[O-])CC3)cn1 ZINC001231878634 1034962909 /nfs/dbraw/zinc/96/29/09/1034962909.db2.gz ODSCFAKTMJAMCR-IBGZPJMESA-N 0 1 377.488 3.818 20 10 GHCDMN O=C1[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001231879332 1034963988 /nfs/dbraw/zinc/96/39/88/1034963988.db2.gz ZVTVFYWBKKWXJO-UGKGYDQZSA-N 0 1 390.458 3.775 20 10 GHCDMN O=C1[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001231879332 1034963989 /nfs/dbraw/zinc/96/39/89/1034963989.db2.gz ZVTVFYWBKKWXJO-UGKGYDQZSA-N 0 1 390.458 3.775 20 10 GHCDMN O=C1[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001231879331 1034964152 /nfs/dbraw/zinc/96/41/52/1034964152.db2.gz ZVTVFYWBKKWXJO-SIKLNZKXSA-N 0 1 390.458 3.775 20 10 GHCDMN O=C1[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2CN1Cc1cccc(F)c1 ZINC001231879331 1034964159 /nfs/dbraw/zinc/96/41/59/1034964159.db2.gz ZVTVFYWBKKWXJO-SIKLNZKXSA-N 0 1 390.458 3.775 20 10 GHCDMN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001231881809 1034965750 /nfs/dbraw/zinc/96/57/50/1034965750.db2.gz ZULNRQIJAASFCJ-XMMPIXPASA-N 0 1 387.483 3.565 20 10 GHCDMN O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001231881809 1034965752 /nfs/dbraw/zinc/96/57/52/1034965752.db2.gz ZULNRQIJAASFCJ-XMMPIXPASA-N 0 1 387.483 3.565 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910734 1034985590 /nfs/dbraw/zinc/98/55/90/1034985590.db2.gz VCLLWNDESSDVOL-NRFANRHFSA-N 0 1 388.870 3.809 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(Cl)c2O)CCC1(F)F ZINC001231915064 1034988538 /nfs/dbraw/zinc/98/85/38/1034988538.db2.gz WQDOHRHSEKLGGU-ZDUSSCGKSA-N 0 1 376.831 3.780 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC001231915064 1034988541 /nfs/dbraw/zinc/98/85/41/1034988541.db2.gz WQDOHRHSEKLGGU-ZDUSSCGKSA-N 0 1 376.831 3.780 20 10 GHCDMN 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3.537 20 10 GHCDMN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)c1cccc(F)c1 ZINC001237624110 1042291182 /nfs/dbraw/zinc/29/11/82/1042291182.db2.gz YQCIWKVDNFUQFG-MRXNPFEDSA-N 0 1 380.822 3.718 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)c1cccc(F)c1 ZINC001237624110 1042291188 /nfs/dbraw/zinc/29/11/88/1042291188.db2.gz YQCIWKVDNFUQFG-MRXNPFEDSA-N 0 1 380.822 3.718 20 10 GHCDMN COC[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)Cc2ncn(C)c21 ZINC001237645261 1042301275 /nfs/dbraw/zinc/30/12/75/1042301275.db2.gz JMOMGRSARWGTAK-GOSISDBHSA-N 0 1 381.451 3.678 20 10 GHCDMN COC[C@H]1CN(Cc2cc(-c3ccc(F)cc3)ccc2O)Cc2ncn(C)c21 ZINC001237645261 1042301282 /nfs/dbraw/zinc/30/12/82/1042301282.db2.gz JMOMGRSARWGTAK-GOSISDBHSA-N 0 1 381.451 3.678 20 10 GHCDMN COc1cc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(O)c(OC)c1 ZINC001237675060 1042317022 /nfs/dbraw/zinc/31/70/22/1042317022.db2.gz RODGKZLFTBMPRU-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN Cc1cc(Cl)cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001237680047 1042321622 /nfs/dbraw/zinc/32/16/22/1042321622.db2.gz ODJBBVCMJTXBDD-INIZCTEOSA-N 0 1 375.900 3.609 20 10 GHCDMN Cc1ccnc(O[C@H]2CCCN(Cc3cc(Br)c(C)cc3O)C2)n1 ZINC001237683889 1042324882 /nfs/dbraw/zinc/32/48/82/1042324882.db2.gz FARBUDSOUJXCLE-HNNXBMFYSA-N 0 1 392.297 3.605 20 10 GHCDMN O=S(=O)([N-]c1cccc(N2CC[NH2+]CC2)c1)c1ccccc1-c1ccccc1 ZINC001237745457 1042350736 /nfs/dbraw/zinc/35/07/36/1042350736.db2.gz IYDGPUMWTOAULL-UHFFFAOYSA-N 0 1 393.512 3.564 20 10 GHCDMN COC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])C1 ZINC001237786696 1042369498 /nfs/dbraw/zinc/36/94/98/1042369498.db2.gz PFMYBDHUDDKYJI-SECBINFHSA-N 0 1 396.203 3.559 20 10 GHCDMN Oc1c(CN2CCc3ncncc3C2)cc(Br)cc1C(F)(F)F ZINC001237792699 1042372777 /nfs/dbraw/zinc/37/27/77/1042372777.db2.gz UQLWDFSYLLUZBL-UHFFFAOYSA-N 0 1 388.187 3.522 20 10 GHCDMN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237798486 1042375457 /nfs/dbraw/zinc/37/54/57/1042375457.db2.gz GNDWYWDYUBUPBZ-ZWKOTPCHSA-N 0 1 376.859 3.808 20 10 GHCDMN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237798483 1042376011 /nfs/dbraw/zinc/37/60/11/1042376011.db2.gz GNDWYWDYUBUPBZ-QZTJIDSGSA-N 0 1 376.859 3.808 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001237801515 1042377305 /nfs/dbraw/zinc/37/73/05/1042377305.db2.gz UQTSCTRSHOZWSN-WMZOPIPTSA-N 0 1 376.859 3.522 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237802041 1042377996 /nfs/dbraw/zinc/37/79/96/1042377996.db2.gz ZUEQCKGEDWKKJQ-UHFFFAOYSA-N 0 1 398.869 3.997 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001237802041 1042378001 /nfs/dbraw/zinc/37/80/01/1042378001.db2.gz ZUEQCKGEDWKKJQ-UHFFFAOYSA-N 0 1 398.869 3.997 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)CC(F)(F)C1 ZINC001237806823 1042379751 /nfs/dbraw/zinc/37/97/51/1042379751.db2.gz VSKFXAKZLYMPKN-LBPRGKRZSA-N 0 1 394.821 3.919 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)CN1c1ccsc1 ZINC001237936568 1042428109 /nfs/dbraw/zinc/42/81/09/1042428109.db2.gz JQYOKBNJJGRVJH-GOSISDBHSA-N 0 1 380.872 3.875 20 10 GHCDMN CN1CC[C@@]2(C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001237938646 1042429520 /nfs/dbraw/zinc/42/95/20/1042429520.db2.gz LWEHWNKQBSYMTR-IERDGZPVSA-N 0 1 388.870 3.633 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@]12CC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237939310 1042429725 /nfs/dbraw/zinc/42/97/25/1042429725.db2.gz VVVKXYUYJVMJTG-SFHVURJKSA-N 0 1 380.872 3.875 20 10 GHCDMN COc1ccc(N2CCN(Cc3n[nH]c4cc(Cl)ccc43)CC2)c(OC)c1 ZINC001237997286 1042450311 /nfs/dbraw/zinc/45/03/11/1042450311.db2.gz DENUBYOPDNPHHL-UHFFFAOYSA-N 0 1 386.883 3.556 20 10 GHCDMN CCOc1cc(CN2CCN(c3ccc(OCCOC)cc3)CC2)ccc1C ZINC001238075636 1042482783 /nfs/dbraw/zinc/48/27/83/1042482783.db2.gz LNMJXAOXBPFBGQ-UHFFFAOYSA-N 0 1 384.520 3.741 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1F ZINC001462660109 1070451256 /nfs/dbraw/zinc/45/12/56/1070451256.db2.gz BRSKNSVFTJKRCX-QGZVFWFLSA-N 0 1 381.467 3.520 20 10 GHCDMN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccccc1C(F)(F)F ZINC001256628905 1043582264 /nfs/dbraw/zinc/58/22/64/1043582264.db2.gz KJWUNFPSYFOBRJ-UHFFFAOYSA-N 0 1 396.184 3.974 20 10 GHCDMN Cc1cc(N2CCCCC2)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC001260388409 1045486330 /nfs/dbraw/zinc/48/63/30/1045486330.db2.gz HPSCKQBIWZYIOX-UHFFFAOYSA-N 0 1 388.518 3.791 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC001299718166 1045777278 /nfs/dbraw/zinc/77/72/78/1045777278.db2.gz HNDOKKQZWRMIEB-ZISDHBOXSA-N 0 1 395.846 3.662 20 10 GHCDMN Cc1ccc(C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)c(O)c1O ZINC001301493885 1046566201 /nfs/dbraw/zinc/56/62/01/1046566201.db2.gz FWGWKLKBBCEKFZ-UHFFFAOYSA-N 0 1 382.504 3.921 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@]23CC[C@@](NC(=O)NC(C)C)(C2)CCC3)cc1Cl ZINC001279433659 1047804981 /nfs/dbraw/zinc/80/49/81/1047804981.db2.gz YXWLOBDDJVEVJL-VQTJNVASSA-N 0 1 379.932 3.997 20 10 GHCDMN CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001279521899 1047831625 /nfs/dbraw/zinc/83/16/25/1047831625.db2.gz QKKBMQAFSXVRLW-CQSZACIVSA-N 0 1 380.916 3.868 20 10 GHCDMN CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001279521899 1047831633 /nfs/dbraw/zinc/83/16/33/1047831633.db2.gz QKKBMQAFSXVRLW-CQSZACIVSA-N 0 1 380.916 3.868 20 10 GHCDMN O=[N+]([O-])c1cc(CNc2cnn(-c3ccncc3)c2)ccc1N1CCCCC1 ZINC000727471069 1048237317 /nfs/dbraw/zinc/23/73/17/1048237317.db2.gz GVRPBBZQGBRKCS-UHFFFAOYSA-N 0 1 378.436 3.778 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(CN(C)C)ccn2)CCCC1 ZINC001306687584 1048814977 /nfs/dbraw/zinc/81/49/77/1048814977.db2.gz KFFNSDCCVRZVCU-UHFFFAOYSA-N 0 1 392.503 3.624 20 10 GHCDMN CC(C)CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001288330250 1049045322 /nfs/dbraw/zinc/04/53/22/1049045322.db2.gz LPVLIHHLBFFLQM-UHFFFAOYSA-N 0 1 395.547 3.793 20 10 GHCDMN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC001308568886 1050013014 /nfs/dbraw/zinc/01/30/14/1050013014.db2.gz DZEZNTNRLPEEEP-CQSZACIVSA-N 0 1 396.256 3.956 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1OC ZINC001308802587 1050100117 /nfs/dbraw/zinc/10/01/17/1050100117.db2.gz UYLGFMBAZYGHFQ-ZDUSSCGKSA-N 0 1 394.874 3.913 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC001308954163 1050214751 /nfs/dbraw/zinc/21/47/51/1050214751.db2.gz JRHYRHILYOANPN-CQSZACIVSA-N 0 1 399.329 3.904 20 10 GHCDMN Cc1cccc(F)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001319877858 1055516876 /nfs/dbraw/zinc/51/68/76/1055516876.db2.gz HNIWYPZIAPPXDU-INIZCTEOSA-N 0 1 376.859 3.888 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000848079029 1056562789 /nfs/dbraw/zinc/56/27/89/1056562789.db2.gz FPWLJSXHMPUHNZ-QAPCUYQASA-N 0 1 382.243 3.820 20 10 GHCDMN Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc(Br)c2[O-])n1 ZINC001323321896 1056953190 /nfs/dbraw/zinc/95/31/90/1056953190.db2.gz KBRWLXPJHIMIHK-OAHLLOKOSA-N 0 1 376.298 3.935 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001355236793 1057092258 /nfs/dbraw/zinc/09/22/58/1057092258.db2.gz CGPABHXFQILYAW-UHFFFAOYSA-N 0 1 393.846 3.638 20 10 GHCDMN CN1CC[C@H](NC(=O)NCCCSc2nccs2)[C@H]1c1ccc(F)cc1 ZINC001324409905 1057127097 /nfs/dbraw/zinc/12/70/97/1057127097.db2.gz MIRYYYIVHNRBEW-JKSUJKDBSA-N 0 1 394.541 3.509 20 10 GHCDMN CCc1cccc(CNCc2ccc(C(=O)OC)cc2Br)c1O ZINC000848910826 1057414588 /nfs/dbraw/zinc/41/45/88/1057414588.db2.gz ACRBUDZPLBFXMB-UHFFFAOYSA-N 0 1 378.266 3.794 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)cc2F)CC1 ZINC001456125089 1062496240 /nfs/dbraw/zinc/49/62/40/1062496240.db2.gz DKUQGFSXXPBCAO-NQIIRXRSSA-N 0 1 387.543 3.822 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)cc2F)CC1 ZINC001456125075 1062496844 /nfs/dbraw/zinc/49/68/44/1062496844.db2.gz DKUQGFSXXPBCAO-GHTZIAJQSA-N 0 1 387.543 3.822 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001457038700 1062957508 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GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc([C@H]2CCC(=O)N2)c1 ZINC001466857280 1066352603 /nfs/dbraw/zinc/35/26/03/1066352603.db2.gz CYDJRHDWFKJFQO-OAHLLOKOSA-N 0 1 394.258 3.972 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)NCc3ccc(C4CCC4)cc3)cc2)CC1 ZINC001469783718 1068384238 /nfs/dbraw/zinc/38/42/38/1068384238.db2.gz AJISNBTVCFPWSQ-UHFFFAOYSA-N 0 1 392.547 3.705 20 10 GHCDMN COC(C)(C)c1nsc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC001472686829 1073619472 /nfs/dbraw/zinc/61/94/72/1073619472.db2.gz HMAOACQAXPLHRD-AWEZNQCLSA-N 0 1 396.944 3.855 20 10 GHCDMN COc1cc(OC)c(NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC001473949106 1074214956 /nfs/dbraw/zinc/21/49/56/1074214956.db2.gz NLDBPMHHHGTPGZ-UHFFFAOYSA-N 0 1 375.900 3.721 20 10 GHCDMN COc1ccc(Br)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001474103712 1074264864 /nfs/dbraw/zinc/26/48/64/1074264864.db2.gz SOZLQZGIOQZGEO-UHFFFAOYSA-N 0 1 390.325 3.822 20 10 GHCDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177936083 837401064 /nfs/dbraw/zinc/40/10/64/837401064.db2.gz QOCFRUOABYRERH-AWEZNQCLSA-N 0 1 391.874 3.605 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000274963133 835853824 /nfs/dbraw/zinc/85/38/24/835853824.db2.gz BDYMPPICPSHZES-ZDUSSCGKSA-N 0 1 397.880 3.570 20 10 GHCDMN COc1ccc(-c2nc(CN3CCN(Cc4ccccc4O)CC3)cs2)cc1 ZINC000179555247 835877697 /nfs/dbraw/zinc/87/76/97/835877697.db2.gz DRRZHKJUPLDICF-UHFFFAOYSA-N 0 1 395.528 3.842 20 10 GHCDMN COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000015452715 844188554 /nfs/dbraw/zinc/18/85/54/844188554.db2.gz PPHOIVXFBHHXCH-JOCHJYFZSA-N 0 1 381.520 3.557 20 10 GHCDMN COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180601549 837382319 /nfs/dbraw/zinc/38/23/19/837382319.db2.gz MDGBWFAFKIIIJU-GJZGRUSLSA-N 0 1 396.281 3.844 20 10 GHCDMN COc1cc(OC)c2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC001167426551 839928854 /nfs/dbraw/zinc/92/88/54/839928854.db2.gz JGYOOYDAMGEJSA-UHFFFAOYSA-N 0 1 392.503 3.616 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cnc1OCC(F)(F)F ZINC001167437681 840377899 /nfs/dbraw/zinc/37/78/99/840377899.db2.gz ZDSSVUOCGOHABD-UHFFFAOYSA-N 0 1 394.441 3.695 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000053772836 840702810 /nfs/dbraw/zinc/70/28/10/840702810.db2.gz SQPVGBOXPQPOIY-MSOLQXFVSA-N 0 1 399.510 3.612 20 10 GHCDMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1CC ZINC000189429531 841200906 /nfs/dbraw/zinc/20/09/06/841200906.db2.gz FRKFILPVUXQLPQ-UHFFFAOYSA-N 0 1 390.505 3.628 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000053540041 841747559 /nfs/dbraw/zinc/74/75/59/841747559.db2.gz AISFKTMNWMKBSA-JOCHJYFZSA-N 0 1 398.551 3.596 20 10 GHCDMN CCc1ccccc1NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053998839 842056522 /nfs/dbraw/zinc/05/65/22/842056522.db2.gz WWXJGIOLTAZGFW-UHFFFAOYSA-N 0 1 396.535 3.591 20 10 GHCDMN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165170984 843060155 /nfs/dbraw/zinc/06/01/55/843060155.db2.gz VHMOVCYCOJNRIQ-FQEVSTJZSA-N 0 1 386.467 3.674 20 10 GHCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000276904506 843676572 /nfs/dbraw/zinc/67/65/72/843676572.db2.gz DSWGVXCDNUCDKF-UHFFFAOYSA-N 0 1 391.475 3.615 20 10 GHCDMN COc1cc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc(OC)c1OC ZINC000271795063 846922243 /nfs/dbraw/zinc/92/22/43/846922243.db2.gz RGAUNAXRFCNKMO-LLVKDONJSA-N 0 1 377.412 3.611 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000758528510 847357278 /nfs/dbraw/zinc/35/72/78/847357278.db2.gz PKNMKPVAEJGBAB-ZDUSSCGKSA-N 0 1 384.701 3.749 20 10 GHCDMN CCN1CCN(c2ccc(CN[C@H](c3ncc[nH]3)c3ccccc3)cc2F)CC1 ZINC000126800366 849822367 /nfs/dbraw/zinc/82/23/67/849822367.db2.gz YPUFONFEAQTKMI-QFIPXVFZSA-N 0 1 393.510 3.570 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2cccc(F)c2)C1 ZINC000435664544 850735133 /nfs/dbraw/zinc/73/51/33/850735133.db2.gz RVJFPQNUKATKOL-UHFFFAOYSA-N 0 1 393.506 3.906 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC/C=C\c2cccnc2)C1 ZINC000615218095 850967190 /nfs/dbraw/zinc/96/71/90/850967190.db2.gz FCQOJCCAYIBPKI-VURMDHGXSA-N 0 1 388.515 3.632 20 10 GHCDMN CCN(CC)[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000729527992 856413868 /nfs/dbraw/zinc/41/38/68/856413868.db2.gz WBHBFVZQSHPEDM-XXBNENTESA-N 0 1 395.547 3.784 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nc(C)n[nH]3)C2)c(C)n1-c1ccccc1 ZINC000760965037 856815108 /nfs/dbraw/zinc/81/51/08/856815108.db2.gz LOXPDZJBMQFVAL-SFHVURJKSA-N 0 1 377.492 3.583 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccc1 ZINC000760965037 856815225 /nfs/dbraw/zinc/81/52/25/856815225.db2.gz LOXPDZJBMQFVAL-SFHVURJKSA-N 0 1 377.492 3.583 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000729531999 857726189 /nfs/dbraw/zinc/72/61/89/857726189.db2.gz QSPKPFDXOFPHTJ-HSZRJFAPSA-N 0 1 395.547 3.863 20 10 GHCDMN O=C(CNc1[nH]ccc2nc(-c3ccccc3Cl)nc1-2)c1ccc(O)c(O)c1 ZINC001170316572 881346879 /nfs/dbraw/zinc/34/68/79/881346879.db2.gz JQGUQMVYUNWYHP-UHFFFAOYSA-N 0 1 394.818 3.984 20 10 GHCDMN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1Cl ZINC000764584829 859516739 /nfs/dbraw/zinc/51/67/39/859516739.db2.gz TXQBQKMUBXDOMS-OAHLLOKOSA-N 0 1 388.895 3.799 20 10 GHCDMN C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000764862977 859642099 /nfs/dbraw/zinc/64/20/99/859642099.db2.gz CJJLYSSHYJBEBS-MRXNPFEDSA-N 0 1 397.910 3.608 20 10 GHCDMN CC(C)CSCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001127817420 859719736 /nfs/dbraw/zinc/71/97/36/859719736.db2.gz APEFCCIMDBICFQ-UHFFFAOYSA-N 0 1 387.593 3.913 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccccc3)cc2F)CC1 ZINC000730111874 860876791 /nfs/dbraw/zinc/87/67/91/860876791.db2.gz PLGCHALCMXHEPK-KRWDZBQOSA-N 0 1 384.499 3.528 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc4ncsc4c3)cc2F)CC1 ZINC000730194928 860935876 /nfs/dbraw/zinc/93/58/76/860935876.db2.gz SSCWCIBKAADXRC-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000730194601 860936928 /nfs/dbraw/zinc/93/69/28/860936928.db2.gz NFZNNQRWBIXTEA-PKOBYXMFSA-N 0 1 375.532 3.800 20 10 GHCDMN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000281692734 863323690 /nfs/dbraw/zinc/32/36/90/863323690.db2.gz SFDHICVCUZBBSX-SJCJKPOMSA-N 0 1 376.403 3.761 20 10 GHCDMN CCN(Cc1ccncc1)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444146932 863540043 /nfs/dbraw/zinc/54/00/43/863540043.db2.gz QSVFVLOYNIRPMQ-UHFFFAOYSA-N 0 1 390.531 3.852 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C(C)C)cc2F)CC1 ZINC000735386947 864765929 /nfs/dbraw/zinc/76/59/29/864765929.db2.gz XEAPXXHDIGFMNP-HXUWFJFHSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)Cc3ccccc3)cc2F)CC1 ZINC000735439357 864802027 /nfs/dbraw/zinc/80/20/27/864802027.db2.gz UDWRTSLOFHNZRB-UHFFFAOYSA-N 0 1 397.538 3.853 20 10 GHCDMN CCN1CCN(c2ccc(CNc3cncc(Br)c3)cc2F)CC1 ZINC000301392655 865334034 /nfs/dbraw/zinc/33/40/34/865334034.db2.gz IIEKJCOSZTZIJK-UHFFFAOYSA-N 0 1 393.304 3.737 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1[O-] ZINC000738095636 865484504 /nfs/dbraw/zinc/48/45/04/865484504.db2.gz BCBYCMIOAHEQEF-LJQANCHMSA-N 0 1 394.515 3.779 20 10 GHCDMN Cc1c(S(=O)(=O)Nc2ccc(O)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000743259566 868019116 /nfs/dbraw/zinc/01/91/16/868019116.db2.gz DKIJEQDGISXYGU-UHFFFAOYSA-N 0 1 377.853 3.649 20 10 GHCDMN CCN(Cc1cc(C)c(C(=O)OC)o1)Cc1cc(Br)ccc1O ZINC000743872182 868469657 /nfs/dbraw/zinc/46/96/57/868469657.db2.gz QCTPSMPHRXLJFE-UHFFFAOYSA-N 0 1 382.254 3.865 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc2ccccc21 ZINC000857472549 882286152 /nfs/dbraw/zinc/28/61/52/882286152.db2.gz LPWVEEROGUHAMY-KRWDZBQOSA-N 0 1 395.890 3.988 20 10 GHCDMN CCOc1ccc(N2CCN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001168878817 870964262 /nfs/dbraw/zinc/96/42/62/870964262.db2.gz DOCMEOXDIBLHPV-PKOBYXMFSA-N 0 1 389.540 3.605 20 10 GHCDMN C[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000776963607 882536533 /nfs/dbraw/zinc/53/65/33/882536533.db2.gz BPMCXUDVEHGBAC-GOSISDBHSA-N 0 1 383.511 3.826 20 10 GHCDMN CCCCN(CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)Cc1ccccc1O ZINC001169755728 871840063 /nfs/dbraw/zinc/84/00/63/871840063.db2.gz ZSGOUWKKARTCJI-UHFFFAOYSA-N 0 1 386.492 3.999 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1[O-] ZINC000767670945 872725104 /nfs/dbraw/zinc/72/51/04/872725104.db2.gz LSQHZFDIEXZCFZ-UHFFFAOYSA-N 0 1 380.916 3.813 20 10 GHCDMN CCOC(=O)N(C)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775679359 872808719 /nfs/dbraw/zinc/80/87/19/872808719.db2.gz YIRQBYXFIJGUMA-UHFFFAOYSA-N 0 1 385.302 3.516 20 10 GHCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(Cl)cc(F)c1O ZINC000775686954 872892666 /nfs/dbraw/zinc/89/26/66/872892666.db2.gz QTESYACRMGQFJD-UHFFFAOYSA-N 0 1 388.222 3.719 20 10 GHCDMN Cc1noc([C@@H]2CCCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)n1 ZINC000768788480 873578412 /nfs/dbraw/zinc/57/84/12/873578412.db2.gz GTCJWWHIJLRNOC-QGZVFWFLSA-N 0 1 385.468 3.656 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(F)cc1F ZINC000768911798 873679962 /nfs/dbraw/zinc/67/99/62/873679962.db2.gz IWOYCHPJJAYNQM-OAHLLOKOSA-N 0 1 380.822 3.718 20 10 GHCDMN CC(C)CCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915473 873683275 /nfs/dbraw/zinc/68/32/75/873683275.db2.gz LCGMIOKJWYAOLR-QAPCUYQASA-N 0 1 382.932 3.577 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769425966 874046032 /nfs/dbraw/zinc/04/60/32/874046032.db2.gz RUSLLSYCXZABCP-RISCZKNCSA-N 0 1 399.875 3.689 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691466543 874214286 /nfs/dbraw/zinc/21/42/86/874214286.db2.gz DJIQVKDBEKYQQI-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN CN1CCN(c2ccc(CNc3cnc(Cl)c(Br)c3)cc2)CC1 ZINC000769761385 874262070 /nfs/dbraw/zinc/26/20/70/874262070.db2.gz WPVLOGOPAFRWHH-UHFFFAOYSA-N 0 1 395.732 3.861 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372749 874613343 /nfs/dbraw/zinc/61/33/43/874613343.db2.gz FUHDMKQHWVRCSX-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372749 874613351 /nfs/dbraw/zinc/61/33/51/874613351.db2.gz FUHDMKQHWVRCSX-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2cnccc21 ZINC000771059464 875013721 /nfs/dbraw/zinc/01/37/21/875013721.db2.gz ROHDSYKLGOWZAR-SFHVURJKSA-N 0 1 395.890 3.988 20 10 GHCDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000771244812 875118171 /nfs/dbraw/zinc/11/81/71/875118171.db2.gz VPAWVJRHWVTWIB-UHFFFAOYSA-N 0 1 385.468 3.704 20 10 GHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCc2ccccc2C1 ZINC001199934071 875248737 /nfs/dbraw/zinc/24/87/37/875248737.db2.gz OPJWHGIJLDERQM-AWEZNQCLSA-N 0 1 375.310 3.691 20 10 GHCDMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000776103225 875343280 /nfs/dbraw/zinc/34/32/80/875343280.db2.gz RSTCWNDRSQXJKE-PXNSSMCTSA-N 0 1 384.524 3.933 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(F)ccc1Br ZINC000771914340 875553439 /nfs/dbraw/zinc/55/34/39/875553439.db2.gz NWMVIKSQSQEXOD-UHFFFAOYSA-N 0 1 399.285 3.989 20 10 GHCDMN O=[N+]([O-])c1cc(CNc2cnccc2-n2cccn2)ccc1N1CCCCC1 ZINC000776257316 876069342 /nfs/dbraw/zinc/06/93/42/876069342.db2.gz LCRQXLISOOKOMI-UHFFFAOYSA-N 0 1 378.436 3.778 20 10 GHCDMN CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850498348 876974200 /nfs/dbraw/zinc/97/42/00/876974200.db2.gz ZZDJRCGQRKBODC-WIUDPPPLSA-N 0 1 388.249 3.506 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850558329 877025226 /nfs/dbraw/zinc/02/52/26/877025226.db2.gz QFMGDKNXFCVWKN-WFASDCNBSA-N 0 1 383.330 3.842 20 10 GHCDMN COc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccccc3O)ccc2c1 ZINC000109770730 877428377 /nfs/dbraw/zinc/42/83/77/877428377.db2.gz ICXCFNXWBTXVOW-UHFFFAOYSA-N 0 1 378.472 3.644 20 10 GHCDMN COc1ccc(-c2csc(NC(=O)[C@H](C)N(C)Cc3ccccc3O)n2)cc1 ZINC000111235846 878959864 /nfs/dbraw/zinc/95/98/64/878959864.db2.gz KMCUFEJQGBYNEL-AWEZNQCLSA-N 0 1 397.500 3.983 20 10 GHCDMN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000789903717 879350902 /nfs/dbraw/zinc/35/09/02/879350902.db2.gz KOVRHVMENDQNKB-IBGZPJMESA-N 0 1 379.815 3.599 20 10 GHCDMN COCCOCC[N@@H+](Cc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000093839536 912461456 /nfs/dbraw/zinc/46/14/56/912461456.db2.gz QVCNBMUXOYFBGW-UHFFFAOYSA-N 0 1 394.309 3.820 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000790410060 879687164 /nfs/dbraw/zinc/68/71/64/879687164.db2.gz ZNDNPTIBHYCTPV-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2ncsc2c1 ZINC000776815224 880537018 /nfs/dbraw/zinc/53/70/18/880537018.db2.gz JLHJQSJUIIUZEP-OAHLLOKOSA-N 0 1 382.533 3.672 20 10 GHCDMN CCn1c(CNCc2cc(F)ccc2O)nc2cc(Br)ccc21 ZINC000792198772 880983188 /nfs/dbraw/zinc/98/31/88/880983188.db2.gz BVYOVRVOQLGFNB-UHFFFAOYSA-N 0 1 378.245 3.953 20 10 GHCDMN COc1cc(Cl)ccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135234 883616754 /nfs/dbraw/zinc/61/67/54/883616754.db2.gz QWFZWKZAYZSBTL-UHFFFAOYSA-N 0 1 396.679 3.840 20 10 GHCDMN COc1ccc(Cl)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135295 883616769 /nfs/dbraw/zinc/61/67/69/883616769.db2.gz IJLVCWRTYNTWOH-UHFFFAOYSA-N 0 1 396.679 3.840 20 10 GHCDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816358 884085114 /nfs/dbraw/zinc/08/51/14/884085114.db2.gz ZWQLCWJMXVISFL-XUZZJYLKSA-N 0 1 376.500 3.936 20 10 GHCDMN CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242291 912802733 /nfs/dbraw/zinc/80/27/33/912802733.db2.gz UBBWGQOIDGBQKH-INIZCTEOSA-N 0 1 395.341 3.529 20 10 GHCDMN COC(=O)c1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000806219215 884476182 /nfs/dbraw/zinc/47/61/82/884476182.db2.gz LNQKHUIBSQKUJY-UHFFFAOYSA-N 0 1 387.194 3.946 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)CC(F)F)C1 ZINC000648479258 884802241 /nfs/dbraw/zinc/80/22/41/884802241.db2.gz CMDZAISUOWQHFH-OAHLLOKOSA-N 0 1 377.479 3.815 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000762000277 885158341 /nfs/dbraw/zinc/15/83/41/885158341.db2.gz MQYUBNJVTSLYMH-UHFFFAOYSA-N 0 1 375.368 3.999 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@]2(C)CCCOC2)C1 ZINC000861048627 885196624 /nfs/dbraw/zinc/19/66/24/885196624.db2.gz POTAUWTZMOXUCL-HSZRJFAPSA-N 0 1 384.520 3.768 20 10 GHCDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975753 885234068 /nfs/dbraw/zinc/23/40/68/885234068.db2.gz NOZKTEPKBNTOTN-GOSISDBHSA-N 0 1 395.434 3.743 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000805280835 885362368 /nfs/dbraw/zinc/36/23/68/885362368.db2.gz IDGMBJXIBTVZOI-GFCCVEGCSA-N 0 1 389.185 3.910 20 10 GHCDMN COc1cc(C)cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807511605 885496170 /nfs/dbraw/zinc/49/61/70/885496170.db2.gz QILKMCGTBVVQKZ-UHFFFAOYSA-N 0 1 397.258 3.579 20 10 GHCDMN COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc([N+](=O)[O-])c1C ZINC000807837476 885802109 /nfs/dbraw/zinc/80/21/09/885802109.db2.gz RKDXKOPSOIVOBN-UHFFFAOYSA-N 0 1 385.203 3.854 20 10 GHCDMN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807838049 885804291 /nfs/dbraw/zinc/80/42/91/885804291.db2.gz JTRFWTRHKRFQQN-UHFFFAOYSA-N 0 1 385.247 3.751 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)cn1 ZINC000807839193 885805899 /nfs/dbraw/zinc/80/58/99/885805899.db2.gz YQNHGMXMAMZIDN-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000862023523 886060037 /nfs/dbraw/zinc/06/00/37/886060037.db2.gz ABVXVIKVKCGFLC-XMSQKQJNSA-N 0 1 395.547 3.993 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862234245 886233805 /nfs/dbraw/zinc/23/38/05/886233805.db2.gz JFRJSKGNGCNXIQ-CYBMUJFWSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862234245 886233822 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[O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780662 890958885 /nfs/dbraw/zinc/95/88/85/890958885.db2.gz MIIJZNOKQHPWFY-HXUWFJFHSA-N 0 1 390.321 3.972 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)N(Cc2ccccc2)C2CC2)C2CC2)cc1 ZINC000917074578 890969656 /nfs/dbraw/zinc/96/96/56/890969656.db2.gz APVBHIFQENLRRR-UHFFFAOYSA-N 0 1 377.532 3.908 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000917088021 891068137 /nfs/dbraw/zinc/06/81/37/891068137.db2.gz KSFVKOYGJMLSJT-LJQANCHMSA-N 0 1 385.552 3.603 20 10 GHCDMN CN(C)C(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806147280 891180773 /nfs/dbraw/zinc/18/07/73/891180773.db2.gz WALYAKRUAAFOKX-UHFFFAOYSA-N 0 1 382.247 3.723 20 10 GHCDMN CCOc1ccc(NC(=O)[C@@H](C)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000917210037 891577921 /nfs/dbraw/zinc/57/79/21/891577921.db2.gz KCTZSJOUJCDOHT-GOSISDBHSA-N 0 1 397.519 3.633 20 10 GHCDMN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc21 ZINC000825688339 891769036 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GHCDMN CCN(CC)c1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)cc1F ZINC000288495039 913785665 /nfs/dbraw/zinc/78/56/65/913785665.db2.gz RJYWAMLINFDSLE-GOSISDBHSA-N 0 1 387.499 3.772 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccccc3-c3ccnn3C)CC2)cc1F ZINC000816520193 894875382 /nfs/dbraw/zinc/87/53/82/894875382.db2.gz IDRJUSXWGBIAMN-UHFFFAOYSA-N 0 1 380.467 3.557 20 10 GHCDMN CN(Cc1cc(Cl)c(F)cc1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000816520929 894877217 /nfs/dbraw/zinc/87/72/17/894877217.db2.gz BIUCPUNOQZQWMY-AWEZNQCLSA-N 0 1 390.263 3.799 20 10 GHCDMN CCOC(=O)c1cnc(N2CCN(Cc3ccc4ccccc4c3O)CC2)s1 ZINC000816516350 894892373 /nfs/dbraw/zinc/89/23/73/894892373.db2.gz CEULRODTKSJLFF-UHFFFAOYSA-N 0 1 397.500 3.501 20 10 GHCDMN O=C1NCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1Cc1ccccc1 ZINC000816642064 894986645 /nfs/dbraw/zinc/98/66/45/894986645.db2.gz OHCWSAHEMNOXDQ-KRWDZBQOSA-N 0 1 379.287 3.632 20 10 GHCDMN O=C1NCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1Cc1ccccc1 ZINC000816642064 894986658 /nfs/dbraw/zinc/98/66/58/894986658.db2.gz OHCWSAHEMNOXDQ-KRWDZBQOSA-N 0 1 379.287 3.632 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccc1O ZINC000148637781 895154979 /nfs/dbraw/zinc/15/49/79/895154979.db2.gz CCIRQFPZXWATSQ-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000816940965 895226546 /nfs/dbraw/zinc/22/65/46/895226546.db2.gz RDFGHFLUBPPYEU-IAQYHMDHSA-N 0 1 392.297 3.592 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000816940967 895226695 /nfs/dbraw/zinc/22/66/95/895226695.db2.gz RDFGHFLUBPPYEU-XHDPSFHLSA-N 0 1 392.297 3.592 20 10 GHCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000132165077 897702579 /nfs/dbraw/zinc/70/25/79/897702579.db2.gz MSTPKTAVAZKHJT-IBGZPJMESA-N 0 1 390.491 3.584 20 10 GHCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000132165077 897702585 /nfs/dbraw/zinc/70/25/85/897702585.db2.gz MSTPKTAVAZKHJT-IBGZPJMESA-N 0 1 390.491 3.584 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cccc4c3OC(C)(C)C4)SC2=S)CC1 ZINC000133395080 898364715 /nfs/dbraw/zinc/36/47/15/898364715.db2.gz BNOVMMPBZGNOLY-WJDWOHSUSA-N 0 1 388.558 3.696 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636998 899730681 /nfs/dbraw/zinc/73/06/81/899730681.db2.gz WBADRPZPISGMIF-QFBILLFUSA-N 0 1 394.284 3.763 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824646124 899735138 /nfs/dbraw/zinc/73/51/38/899735138.db2.gz YJAJVKKGUUDHFR-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824646124 899735154 /nfs/dbraw/zinc/73/51/54/899735154.db2.gz YJAJVKKGUUDHFR-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN O=C1CCCCN1c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825131902 899998101 /nfs/dbraw/zinc/99/81/01/899998101.db2.gz VCBYOCFQUFFYIH-UHFFFAOYSA-N 0 1 389.293 3.961 20 10 GHCDMN CC[C@H](NCc1nc(-c2ccccn2)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000825187700 900036293 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CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203643178 914705566 /nfs/dbraw/zinc/70/55/66/914705566.db2.gz LVMGBTPLGLCGSB-SFHVURJKSA-N 0 1 381.314 3.522 20 10 GHCDMN COc1cc(C[N@H+](C)Cc2cc(Br)ccc2[O-])cc(OC)c1OC ZINC001203645773 914806124 /nfs/dbraw/zinc/80/61/24/914806124.db2.gz QRVIUMRZJIHWIM-UHFFFAOYSA-N 0 1 396.281 3.813 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])cc(OC)c1OC ZINC001203645773 914806142 /nfs/dbraw/zinc/80/61/42/914806142.db2.gz QRVIUMRZJIHWIM-UHFFFAOYSA-N 0 1 396.281 3.813 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256361 904619742 /nfs/dbraw/zinc/61/97/42/904619742.db2.gz BWWKFVHFOAABRW-QZTJIDSGSA-N 0 1 395.499 3.967 20 10 GHCDMN COc1cc(I)cc(CN2CCC23CCCCC3)c1O ZINC001248390635 904686824 /nfs/dbraw/zinc/68/68/24/904686824.db2.gz AAJVXNDPBYKUFP-UHFFFAOYSA-N 0 1 387.261 3.914 20 10 GHCDMN COc1ccc(N2CCN([C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001173056934 906132118 /nfs/dbraw/zinc/13/21/18/906132118.db2.gz OHFODCAFRCKLKV-PKOBYXMFSA-N 0 1 389.540 3.605 20 10 GHCDMN CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC001173606385 906558619 /nfs/dbraw/zinc/55/86/19/906558619.db2.gz PCUAEPREGJHIPG-SWKXRBFHSA-N 0 1 382.298 3.756 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)ccc1[O-] ZINC000184979431 907690589 /nfs/dbraw/zinc/69/05/89/907690589.db2.gz WFRTURNUJJJVSL-LBPRGKRZSA-N 0 1 393.281 3.703 20 10 GHCDMN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000186049709 907870964 /nfs/dbraw/zinc/87/09/64/907870964.db2.gz NTXXXFFYDLEXFI-LBPRGKRZSA-N 0 1 394.265 3.557 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1[O-] ZINC000186526477 907939053 /nfs/dbraw/zinc/93/90/53/907939053.db2.gz PVEUFRCJDMGCBS-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN COc1ccc([C@@H](C)NCc2ccc(OC)c(Cn3cccn3)c2)c(OC)c1 ZINC001179788801 909730467 /nfs/dbraw/zinc/73/04/67/909730467.db2.gz GVOCSGHKHPAJBS-MRXNPFEDSA-N 0 1 381.476 3.808 20 10 GHCDMN Cc1ccc(NC(=O)CN(C)Cc2cc(Br)cc(F)c2O)cc1 ZINC001180103195 909955226 /nfs/dbraw/zinc/95/52/26/909955226.db2.gz FWPRGOYIDOWXGH-UHFFFAOYSA-N 0 1 381.245 3.673 20 10 GHCDMN Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001180103195 909955230 /nfs/dbraw/zinc/95/52/30/909955230.db2.gz FWPRGOYIDOWXGH-UHFFFAOYSA-N 0 1 381.245 3.673 20 10 GHCDMN Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])cc1 ZINC001180103195 909955239 /nfs/dbraw/zinc/95/52/39/909955239.db2.gz FWPRGOYIDOWXGH-UHFFFAOYSA-N 0 1 381.245 3.673 20 10 GHCDMN COCCOc1ccccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268843295 910041698 /nfs/dbraw/zinc/04/16/98/910041698.db2.gz NZRMBLYTFGWZIL-QGZVFWFLSA-N 0 1 388.483 3.538 20 10 GHCDMN Cc1cc(C(=O)COC(=O)C2CCN(C3CC3)CC2)c(C)n1-c1cccc(F)c1 ZINC000801871984 921566028 /nfs/dbraw/zinc/56/60/28/921566028.db2.gz TUWBPGCALUPFOU-UHFFFAOYSA-N 0 1 398.478 3.834 20 10 GHCDMN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1OC ZINC000271006554 910754760 /nfs/dbraw/zinc/75/47/60/910754760.db2.gz NRXLHSMVZJEUJM-GOSISDBHSA-N 0 1 387.476 3.599 20 10 GHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091935268 911345533 /nfs/dbraw/zinc/34/55/33/911345533.db2.gz GWBDQCYSFKYFHU-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001204336182 911514035 /nfs/dbraw/zinc/51/40/35/911514035.db2.gz FNIAHOYCIDZNRY-ZDUSSCGKSA-N 0 1 386.183 3.887 20 10 GHCDMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001182366963 911563821 /nfs/dbraw/zinc/56/38/21/911563821.db2.gz KBTBFTOKPDXIAF-HUUCEWRRSA-N 0 1 386.467 3.645 20 10 GHCDMN O=C(N1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC12CCCCC2)C(F)(F)F ZINC001182644763 911946493 /nfs/dbraw/zinc/94/64/93/911946493.db2.gz KKLGMALDPMTSCW-UHFFFAOYSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C(N1CC[N@H+](Cc2cccc(Cl)c2[O-])CC12CCCCC2)C(F)(F)F ZINC001182644763 911946502 /nfs/dbraw/zinc/94/65/02/911946502.db2.gz KKLGMALDPMTSCW-UHFFFAOYSA-N 0 1 390.833 3.955 20 10 GHCDMN CN1CCO[C@@H]([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000252736496 915477526 /nfs/dbraw/zinc/47/75/26/915477526.db2.gz WWZKCWFVXHBPLN-MOPGFXCFSA-N 0 1 381.303 3.861 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2cccc(Br)c2O)c1[O-] ZINC000775152648 915599251 /nfs/dbraw/zinc/59/92/51/915599251.db2.gz OGBPWRGLRRUFMA-UHFFFAOYSA-N 0 1 387.617 3.712 20 10 GHCDMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775287097 916855721 /nfs/dbraw/zinc/85/57/21/916855721.db2.gz CYSWUHSBNLDXLV-UHFFFAOYSA-N 0 1 383.853 3.558 20 10 GHCDMN CCN(CC)c1ccc(N=Nc2ccccc2C(=O)NCc2c[nH]nn2)cc1 ZINC001189713213 916857764 /nfs/dbraw/zinc/85/77/64/916857764.db2.gz QVVPMAZHLQPMCS-WJTDDFOZSA-N 0 1 377.452 3.996 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1[O-] ZINC000800492895 920179263 /nfs/dbraw/zinc/17/92/63/920179263.db2.gz GTWXXVBUFKLSCD-HXUWFJFHSA-N 0 1 377.843 3.879 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800496610 920188371 /nfs/dbraw/zinc/18/83/71/920188371.db2.gz XOCCQOSRQCITJL-UHFFFAOYSA-N 0 1 387.281 3.630 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CCCCc3cn[nH]n3)cc2Cl)C1 ZINC000800571888 920283549 /nfs/dbraw/zinc/28/35/49/920283549.db2.gz PISSPDIWWOAKEC-HNNXBMFYSA-N 0 1 389.931 3.724 20 10 GHCDMN CO[C@H](C)c1nsc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000800850257 920527766 /nfs/dbraw/zinc/52/77/66/920527766.db2.gz QNRAJLBFVDLVMM-BXUZGUMPSA-N 0 1 382.917 3.681 20 10 GHCDMN COc1ccc(N2CCC[N@@H+](Cc3c(C)nn(-c4ccccn4)c3C)CC2)cc1 ZINC000802637801 922277748 /nfs/dbraw/zinc/27/77/48/922277748.db2.gz HXULXJIYLRGMKJ-UHFFFAOYSA-N 0 1 391.519 3.605 20 10 GHCDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccccc2O)CC1 ZINC000748444129 923642290 /nfs/dbraw/zinc/64/22/90/923642290.db2.gz WAFXTYQXQXUSPL-UHFFFAOYSA-N 0 1 388.899 3.509 20 10 GHCDMN Cc1cc(O)c(CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1C ZINC000748535230 923706108 /nfs/dbraw/zinc/70/61/08/923706108.db2.gz WRCIBPFAODBWEC-UHFFFAOYSA-N 0 1 384.911 3.628 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000372909200 925768924 /nfs/dbraw/zinc/76/89/24/925768924.db2.gz VVXSVQXZADLJOQ-QFIPXVFZSA-N 0 1 386.455 3.969 20 10 GHCDMN CSc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC001137438309 925788771 /nfs/dbraw/zinc/78/87/71/925788771.db2.gz KVFDYRMSCULVKL-HNNXBMFYSA-N 0 1 391.924 3.557 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2ccncc21 ZINC001137438653 925789288 /nfs/dbraw/zinc/78/92/88/925789288.db2.gz QJCRTLQITMYANM-GOSISDBHSA-N 0 1 395.890 3.988 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000749837887 927304889 /nfs/dbraw/zinc/30/48/89/927304889.db2.gz GTTDDFRJSRBKEO-PMACEKPBSA-N 0 1 387.568 3.540 20 10 GHCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N(CC)CC)c(F)c2)n[nH]1 ZINC000753499315 929376899 /nfs/dbraw/zinc/37/68/99/929376899.db2.gz RANYLOYHOBTSRY-KBPBESRZSA-N 0 1 390.507 3.864 20 10 GHCDMN COc1ccccc1CN(CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000753536218 929395823 /nfs/dbraw/zinc/39/58/23/929395823.db2.gz PKIVQCOVFNEGDS-UHFFFAOYSA-N 0 1 393.483 3.974 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@@H]2CCCc3[nH]ncc32)c(C)n1-c1ccccc1 ZINC000758131526 929937809 /nfs/dbraw/zinc/93/78/09/929937809.db2.gz DMTFXIVSBUJQIJ-QGZVFWFLSA-N 0 1 377.444 3.663 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000759644424 930436501 /nfs/dbraw/zinc/43/65/01/930436501.db2.gz SXNZDNYEHPLWMJ-KRWDZBQOSA-N 0 1 397.519 3.763 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905393 931020885 /nfs/dbraw/zinc/02/08/85/931020885.db2.gz OBGMEIPANBODOX-LSDHHAIUSA-N 0 1 397.357 3.980 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000781911703 931024816 /nfs/dbraw/zinc/02/48/16/931024816.db2.gz OLSFTNFFJBKOEA-GOSISDBHSA-N 0 1 376.294 3.945 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000781913537 931025587 /nfs/dbraw/zinc/02/55/87/931025587.db2.gz QWVAGFIEXUXJNR-QGZVFWFLSA-N 0 1 389.293 3.700 20 10 GHCDMN CC(C)n1cc([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000925162718 931686037 /nfs/dbraw/zinc/68/60/37/931686037.db2.gz WQGRPEMPYMORBD-CABCVRRESA-N 0 1 379.455 3.780 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000797135313 932197395 /nfs/dbraw/zinc/19/73/95/932197395.db2.gz XZPWKGYYPMOYNA-IPQOISQHSA-N 0 1 382.323 3.884 20 10 GHCDMN CC(C)[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1cnn(C)c1 ZINC000927072905 932400249 /nfs/dbraw/zinc/40/02/49/932400249.db2.gz YWNRRVSSCSRKRX-MGPUTAFESA-N 0 1 376.932 3.958 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(Br)ccc1[O-] ZINC000798001515 932485990 /nfs/dbraw/zinc/48/59/90/932485990.db2.gz QOTIGNZGMBSBIF-LZWOXQAQSA-N 0 1 395.341 3.987 20 10 GHCDMN CS(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1Cl ZINC001116778960 933750374 /nfs/dbraw/zinc/75/03/74/933750374.db2.gz DTMRBNBUAJSZEF-UHFFFAOYSA-N 0 1 378.925 3.634 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001118860363 934270053 /nfs/dbraw/zinc/27/00/53/934270053.db2.gz RQVIWJKJXSVYTB-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2c(O)cccc2Br)cc1 ZINC001118860363 934270060 /nfs/dbraw/zinc/27/00/60/934270060.db2.gz RQVIWJKJXSVYTB-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN Cc1cc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001124639468 935434513 /nfs/dbraw/zinc/43/45/13/935434513.db2.gz CUOIGSCYHYRKMI-KDURUIRLSA-N 0 1 397.563 3.641 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828415323 935628371 /nfs/dbraw/zinc/62/83/71/935628371.db2.gz KZRBXJQIGDFIQM-FOIQADDNSA-N 0 1 395.482 3.591 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001137836347 935815812 /nfs/dbraw/zinc/81/58/12/935815812.db2.gz ZLZDLMOHOOSARG-YADHBBJMSA-N 0 1 386.467 3.514 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC001598317954 991310266 /nfs/dbraw/zinc/31/02/66/991310266.db2.gz SHHJPUFWTCJXPF-QGZVFWFLSA-N 0 1 377.282 3.773 20 10 GHCDMN CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598544218 992928499 /nfs/dbraw/zinc/92/84/99/992928499.db2.gz IWXKEGINUPJJKO-KRWDZBQOSA-N 0 1 381.451 3.726 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)C(C)(C)CC)cc2F)CC1 ZINC001226824869 1032145951 /nfs/dbraw/zinc/14/59/51/1032145951.db2.gz KKUVHQQRQPYVIN-MRXNPFEDSA-N 0 1 378.536 3.592 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NCCC[C@@H]3C=CCC3)cc2F)CC1 ZINC001226825525 1032146158 /nfs/dbraw/zinc/14/61/58/1032146158.db2.gz NOAHWXLPONNAHQ-GOSISDBHSA-N 0 1 388.531 3.513 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCc3cc(Cl)ccc32)c1O ZINC001227623589 1032490405 /nfs/dbraw/zinc/49/04/05/1032490405.db2.gz SMCAZGSOLOHALI-LLVKDONJSA-N 0 1 382.821 3.747 20 10 GHCDMN COC(=O)c1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001204152817 1032605005 /nfs/dbraw/zinc/60/50/05/1032605005.db2.gz SCDWRSMYXKXUKI-UHFFFAOYSA-N 0 1 394.393 3.694 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204237504 1032683512 /nfs/dbraw/zinc/68/35/12/1032683512.db2.gz IIUQNAZDJRPKRR-UHFFFAOYSA-N 0 1 391.563 3.958 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3nccs3)c1C2=O ZINC001227994050 1032729780 /nfs/dbraw/zinc/72/97/80/1032729780.db2.gz JLMWXYMMGNOUDJ-JTQLQIEISA-N 0 1 381.409 3.778 20 10 GHCDMN COc1cc(CN2CCC3(CC2)OCc2ccc(Cl)cc23)cc(O)c1O ZINC001204346522 1032785564 /nfs/dbraw/zinc/78/55/64/1032785564.db2.gz TUHFENGRPJSBGY-UHFFFAOYSA-N 0 1 375.852 3.781 20 10 GHCDMN C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC001228526243 1032972102 /nfs/dbraw/zinc/97/21/02/1032972102.db2.gz KEHPCNVHWITYOW-UHFFFAOYSA-N 0 1 387.911 3.900 20 10 GHCDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC001228526243 1032972107 /nfs/dbraw/zinc/97/21/07/1032972107.db2.gz KEHPCNVHWITYOW-UHFFFAOYSA-N 0 1 387.911 3.900 20 10 GHCDMN COCC[N@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140342269 1021454870 /nfs/dbraw/zinc/45/48/70/1021454870.db2.gz APGXHYSVYQIPQU-OAHLLOKOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCC[N@@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140342269 1021454878 /nfs/dbraw/zinc/45/48/78/1021454878.db2.gz APGXHYSVYQIPQU-OAHLLOKOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCN(Cc1c(O)cccc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140342269 1021454884 /nfs/dbraw/zinc/45/48/84/1021454884.db2.gz APGXHYSVYQIPQU-OAHLLOKOSA-N 0 1 398.931 3.894 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000834882586 1021608564 /nfs/dbraw/zinc/60/85/64/1021608564.db2.gz SCTGXDFJXDNEHH-QGZVFWFLSA-N 0 1 382.913 3.537 20 10 GHCDMN CO[C@@H]1CC[N@@H+](CCOC2=CC(=NNc3ccc([N+](=O)[O-])cc3)C=CC2=O)C1 ZINC001228570740 1032991686 /nfs/dbraw/zinc/99/16/86/1032991686.db2.gz LEECTJBKVWYHDU-SGRLSNSRSA-N 0 1 386.408 3.815 20 10 GHCDMN CO[C@@H]1CCN(CCOC2=CC(=NNc3ccc([N+](=O)[O-])cc3)C=CC2=O)C1 ZINC001228570740 1032991694 /nfs/dbraw/zinc/99/16/94/1032991694.db2.gz LEECTJBKVWYHDU-SGRLSNSRSA-N 0 1 386.408 3.815 20 10 GHCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000834909697 1021668226 /nfs/dbraw/zinc/66/82/26/1021668226.db2.gz DEPAWMSBPDJBHO-JQWIXIFHSA-N 0 1 378.270 3.536 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cc(Br)ccc1[O-] ZINC000834911434 1021674423 /nfs/dbraw/zinc/67/44/23/1021674423.db2.gz MZNWWMHZYWTHDD-WFASDCNBSA-N 0 1 392.297 3.926 20 10 GHCDMN O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464751 1021758721 /nfs/dbraw/zinc/75/87/21/1021758721.db2.gz AMFQTZLNCSSJBD-INIZCTEOSA-N 0 1 376.928 3.954 20 10 GHCDMN CC(C)[C@@H]1C[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000836603846 1023162494 /nfs/dbraw/zinc/16/24/94/1023162494.db2.gz MYTWBYXNBOPXOG-ABAIWWIYSA-N 0 1 375.296 3.949 20 10 GHCDMN CC(C)[C@@H]1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000836603851 1023162552 /nfs/dbraw/zinc/16/25/52/1023162552.db2.gz MYTWBYXNBOPXOG-NHYWBVRUSA-N 0 1 375.296 3.949 20 10 GHCDMN CCCCc1ncc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH]1 ZINC001141074683 1023433880 /nfs/dbraw/zinc/43/38/80/1023433880.db2.gz QSQUKSULBJROMD-UHFFFAOYSA-N 0 1 382.430 3.973 20 10 GHCDMN COc1cc(OC)c(OC)cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756335417 1023595432 /nfs/dbraw/zinc/59/54/32/1023595432.db2.gz IEDGFRPVVYKQQK-GOSISDBHSA-N 0 1 387.476 3.599 20 10 GHCDMN C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756403332 1023629557 /nfs/dbraw/zinc/62/95/57/1023629557.db2.gz XVOYBUDOVZJQSU-QGZVFWFLSA-N 0 1 389.490 3.529 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4c(F)cccc34)cc2)CC1 ZINC001156655413 1033159541 /nfs/dbraw/zinc/15/95/41/1033159541.db2.gz AAJQRMWAHRTSAC-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1[O-] ZINC000756661126 1023761290 /nfs/dbraw/zinc/76/12/90/1023761290.db2.gz XYZPVOMIUQVQCS-VIFPVBQESA-N 0 1 378.192 3.764 20 10 GHCDMN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000756706711 1023782870 /nfs/dbraw/zinc/78/28/70/1023782870.db2.gz DGIGYBMBGOTZGC-LLVKDONJSA-N 0 1 381.226 3.793 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4cccc(F)c4)nn3)cc2)CC1 ZINC001156659832 1033162735 /nfs/dbraw/zinc/16/27/35/1033162735.db2.gz PPAZAHONXMQNKO-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN CN1CCOc2cc(CN3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)ccc21 ZINC001141144838 1023963880 /nfs/dbraw/zinc/96/38/80/1023963880.db2.gz MLGLUZQLBXTZIV-UHFFFAOYSA-N 0 1 396.462 3.654 20 10 GHCDMN Cc1cc(C(=O)CN2CC3(C[C@H]2C)CCOCC3)c(C)n1-c1ccc(F)cn1 ZINC000830603672 1024014686 /nfs/dbraw/zinc/01/46/86/1024014686.db2.gz ZUQRAFDDTTZUJB-MRXNPFEDSA-N 0 1 385.483 3.702 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138125435 1024169299 /nfs/dbraw/zinc/16/92/99/1024169299.db2.gz PHRZYUJMTPKGBW-HSZRJFAPSA-N 0 1 382.479 3.589 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126515 1024171618 /nfs/dbraw/zinc/17/16/18/1024171618.db2.gz CGJFXSUHVKLAJK-UHFFFAOYSA-N 0 1 378.451 3.652 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001138127069 1024173271 /nfs/dbraw/zinc/17/32/71/1024173271.db2.gz OKNOSUNNRAGDDK-RBBKRZOGSA-N 0 1 386.467 3.514 20 10 GHCDMN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138220958 1024394030 /nfs/dbraw/zinc/39/40/30/1024394030.db2.gz UTVAZECBUARZML-IBGZPJMESA-N 0 1 387.524 3.693 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000839148692 1025645955 /nfs/dbraw/zinc/64/59/55/1025645955.db2.gz KOXWUHMXWVBCHE-MRXNPFEDSA-N 0 1 389.389 3.915 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000839148692 1025645968 /nfs/dbraw/zinc/64/59/68/1025645968.db2.gz KOXWUHMXWVBCHE-MRXNPFEDSA-N 0 1 389.389 3.915 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001139134006 1025946549 /nfs/dbraw/zinc/94/65/49/1025946549.db2.gz VQTXWUWAXKRBLF-GHTZIAJQSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001139134006 1025946554 /nfs/dbraw/zinc/94/65/54/1025946554.db2.gz VQTXWUWAXKRBLF-GHTZIAJQSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001139134006 1025946564 /nfs/dbraw/zinc/94/65/64/1025946564.db2.gz VQTXWUWAXKRBLF-GHTZIAJQSA-N 0 1 390.483 3.513 20 10 GHCDMN CCN1CCN(c2ccc(CNCc3c(F)cc(C)cc3F)cc2F)CC1 ZINC001461156026 1069416595 /nfs/dbraw/zinc/41/65/95/1069416595.db2.gz JRYZMKQCKAXDIP-UHFFFAOYSA-N 0 1 377.454 3.844 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001140054098 1026834085 /nfs/dbraw/zinc/83/40/85/1026834085.db2.gz JIJASTPQPUNTPQ-HSZRJFAPSA-N 0 1 382.479 3.589 20 10 GHCDMN COc1ccc(CC[N@H+](C)Cc2c([O-])cccc2Br)cc1OC ZINC001140098909 1026876313 /nfs/dbraw/zinc/87/63/13/1026876313.db2.gz RYZDICPVQPRBFS-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN COc1ccc(CC[N@@H+](C)Cc2c([O-])cccc2Br)cc1OC ZINC001140098909 1026876329 /nfs/dbraw/zinc/87/63/29/1026876329.db2.gz RYZDICPVQPRBFS-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099544 1026876732 /nfs/dbraw/zinc/87/67/32/1026876732.db2.gz JTKOKKVYZXIIKM-KSSFIOAISA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099544 1026876739 /nfs/dbraw/zinc/87/67/39/1026876739.db2.gz JTKOKKVYZXIIKM-KSSFIOAISA-N 0 1 384.314 3.562 20 10 GHCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2c(O)cccc2Br)C1 ZINC001140103329 1026884081 /nfs/dbraw/zinc/88/40/81/1026884081.db2.gz KEIBWIHIHSBBEX-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140103329 1026884095 /nfs/dbraw/zinc/88/40/95/1026884095.db2.gz KEIBWIHIHSBBEX-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140103329 1026884099 /nfs/dbraw/zinc/88/40/99/1026884099.db2.gz KEIBWIHIHSBBEX-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564847 1027436401 /nfs/dbraw/zinc/43/64/01/1027436401.db2.gz QTRQLEAERZACJA-LBPRGKRZSA-N 0 1 393.119 3.918 20 10 GHCDMN COCC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C(C)C ZINC001203567262 1027439369 /nfs/dbraw/zinc/43/93/69/1027439369.db2.gz MKGFHFFSSSRTHQ-UHFFFAOYSA-N 0 1 381.108 3.774 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001203574991 1027442827 /nfs/dbraw/zinc/44/28/27/1027442827.db2.gz AJNVQKHRFCTYSL-GASCZTMLSA-N 0 1 378.303 3.658 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203574991 1027442838 /nfs/dbraw/zinc/44/28/38/1027442838.db2.gz AJNVQKHRFCTYSL-GASCZTMLSA-N 0 1 378.303 3.658 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203574991 1027442849 /nfs/dbraw/zinc/44/28/49/1027442849.db2.gz AJNVQKHRFCTYSL-GASCZTMLSA-N 0 1 378.303 3.658 20 10 GHCDMN NC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001203585309 1027452435 /nfs/dbraw/zinc/45/24/35/1027452435.db2.gz GOBLSJVTZAKZJS-INIZCTEOSA-N 0 1 395.286 3.841 20 10 GHCDMN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C2)c1O ZINC001203596512 1027461492 /nfs/dbraw/zinc/46/14/92/1027461492.db2.gz FYLXRTJQRDESDO-KRWDZBQOSA-N 0 1 378.513 3.868 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cccc(OCC)c2O)Cc2c1cnn2CC1CC1 ZINC001203608479 1027473568 /nfs/dbraw/zinc/47/35/68/1027473568.db2.gz QVXYJCOJOCXKCV-SFHVURJKSA-N 0 1 385.508 3.533 20 10 GHCDMN COc1ccc(CN2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)c(O)c1 ZINC001203623456 1027486222 /nfs/dbraw/zinc/48/62/22/1027486222.db2.gz RKUZXHUOJXLLTR-HSZRJFAPSA-N 0 1 382.504 3.581 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203652069 1027506693 /nfs/dbraw/zinc/50/66/93/1027506693.db2.gz ZZZXIZUBHPFYKE-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203652069 1027506705 /nfs/dbraw/zinc/50/67/05/1027506705.db2.gz ZZZXIZUBHPFYKE-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC001203657878 1027513530 /nfs/dbraw/zinc/51/35/30/1027513530.db2.gz HSNXGWLIJOHDJN-BJLQDIEVSA-N 0 1 385.895 3.587 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC001203657878 1027513540 /nfs/dbraw/zinc/51/35/40/1027513540.db2.gz HSNXGWLIJOHDJN-BJLQDIEVSA-N 0 1 385.895 3.587 20 10 GHCDMN CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000840761456 1027802303 /nfs/dbraw/zinc/80/23/03/1027802303.db2.gz XMIFNLTZAGPSCA-IBGZPJMESA-N 0 1 391.418 3.951 20 10 GHCDMN Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000841300997 1028394320 /nfs/dbraw/zinc/39/43/20/1028394320.db2.gz YYGQEJQLZLREIU-KRWDZBQOSA-N 0 1 378.398 3.684 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001142418169 1028861361 /nfs/dbraw/zinc/86/13/61/1028861361.db2.gz ALEIKBFBCDLQJY-XXBNENTESA-N 0 1 379.548 3.773 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142521089 1029024593 /nfs/dbraw/zinc/02/45/93/1029024593.db2.gz XIWZXNIVVBQIRV-LJQANCHMSA-N 0 1 378.444 3.751 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001217553937 1030487615 /nfs/dbraw/zinc/48/76/15/1030487615.db2.gz QRGGDEUNGCEVNA-UHFFFAOYSA-N 0 1 392.701 3.853 20 10 GHCDMN CCc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(O)c1 ZINC001150347132 1030498153 /nfs/dbraw/zinc/49/81/53/1030498153.db2.gz FVEPIFUMQJVCMR-KRWDZBQOSA-N 0 1 388.895 3.708 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)C1=O ZINC001276881604 1030526034 /nfs/dbraw/zinc/52/60/34/1030526034.db2.gz YVAAIHUCOYRUMJ-KPZWWZAWSA-N 0 1 399.304 3.517 20 10 GHCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001223919484 1030809490 /nfs/dbraw/zinc/80/94/90/1030809490.db2.gz QWEZOBUKQHYVLL-JOCHJYFZSA-N 0 1 398.526 3.870 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(Cl)cc2[O-])N1CCC(F)(F)F 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GHCDMN Cc1cc(F)ncc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000892607461 837045716 /nfs/dbraw/zinc/04/57/16/837045716.db2.gz SBTZIXXMPKNMRQ-UHFFFAOYSA-N 0 1 383.389 3.674 20 10 GHCDMN Cc1nccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1Cl ZINC000683450531 837359256 /nfs/dbraw/zinc/35/92/56/837359256.db2.gz MEOTWDCNOGBZKI-UHFFFAOYSA-N 0 1 396.922 3.825 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000376873184 838796025 /nfs/dbraw/zinc/79/60/25/838796025.db2.gz LAKSJWBQVQKOSJ-MLGOLLRUSA-N 0 1 391.320 3.553 20 10 GHCDMN C[C@@H](NCc1cnc(CC(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000892730681 838897289 /nfs/dbraw/zinc/89/72/89/838897289.db2.gz TUQKBFHZIGBGRX-CYBMUJFWSA-N 0 1 385.455 3.935 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN([C@@H](C)c4nccs4)CC3)c2c1 ZINC000184903645 839569745 /nfs/dbraw/zinc/56/97/45/839569745.db2.gz HDNGJYGRZKFOBW-HNNXBMFYSA-N 0 1 383.517 3.889 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)cc(F)cc3C)cc2F)CC1 ZINC001125976187 841016039 /nfs/dbraw/zinc/01/60/39/841016039.db2.gz 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[O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000172490097 863686869 /nfs/dbraw/zinc/68/68/69/863686869.db2.gz HVBUDXWQYARRGM-AWEZNQCLSA-N 0 1 392.293 3.893 20 10 GHCDMN c1cc(CNCc2ccc(N3CCSCC3)cc2)n(CCc2ccccc2)n1 ZINC000856765189 881731520 /nfs/dbraw/zinc/73/15/20/881731520.db2.gz BVTROLWQWDQOQV-UHFFFAOYSA-N 0 1 392.572 3.969 20 10 GHCDMN CCN(CC)c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000740004733 865823641 /nfs/dbraw/zinc/82/36/41/865823641.db2.gz UMJINFRKDOGTFW-UHFFFAOYSA-N 0 1 398.931 3.889 20 10 GHCDMN CN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865605 866052867 /nfs/dbraw/zinc/05/28/67/866052867.db2.gz YDRNAHSBCFRFQK-HNNXBMFYSA-N 0 1 381.582 3.854 20 10 GHCDMN Cc1ccc(Br)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000840962431 866966470 /nfs/dbraw/zinc/96/64/70/866966470.db2.gz BVGMFNLAGAUFMS-UHFFFAOYSA-N 0 1 375.310 3.884 20 10 GHCDMN Cc1c(NCc2cc(Cl)cc(Cl)c2O)cccc1N1C(=O)CNC1=O ZINC000793351621 882147050 /nfs/dbraw/zinc/14/70/50/882147050.db2.gz 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CMNGKDHLABQROI-QGZVFWFLSA-N 0 1 389.496 3.749 20 10 GHCDMN COc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(C)cc3)CC2)cc1F ZINC000770301916 874584567 /nfs/dbraw/zinc/58/45/67/874584567.db2.gz OANFHSSFBSZICE-UHFFFAOYSA-N 0 1 380.467 3.855 20 10 GHCDMN CCCNC(=O)c1cccc(CNCc2c(O)cccc2Br)c1 ZINC000858099226 882843001 /nfs/dbraw/zinc/84/30/01/882843001.db2.gz UYXIYMBAOSVMKA-UHFFFAOYSA-N 0 1 377.282 3.584 20 10 GHCDMN CCCNC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858099226 882843024 /nfs/dbraw/zinc/84/30/24/882843024.db2.gz UYXIYMBAOSVMKA-UHFFFAOYSA-N 0 1 377.282 3.584 20 10 GHCDMN Cc1cc(CNCc2ccc(N3CCSCC3)cc2)ncc1Br ZINC000858100716 882847291 /nfs/dbraw/zinc/84/72/91/882847291.db2.gz XGDGCGMPPVYJAO-UHFFFAOYSA-N 0 1 392.366 3.996 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000858108024 882852857 /nfs/dbraw/zinc/85/28/57/882852857.db2.gz QVSXBMMQOBIWPP-ZDUSSCGKSA-N 0 1 379.273 3.910 20 10 GHCDMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccc1 ZINC000771059428 875013985 /nfs/dbraw/zinc/01/39/85/875013985.db2.gz RDLDWGISOWYKNE-MAUKXSAKSA-N 0 1 375.900 3.579 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2cc[nH]c21 ZINC000771057435 875014268 /nfs/dbraw/zinc/01/42/68/875014268.db2.gz JFKDWFKNRUVOMM-QGZVFWFLSA-N 0 1 383.879 3.921 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnc[nH]4)cc3)cc2)CC1 ZINC000771331135 875193461 /nfs/dbraw/zinc/19/34/61/875193461.db2.gz NKFXRTKYLYFOGS-UHFFFAOYSA-N 0 1 375.476 3.638 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cc(F)ccc3OC(F)F)cc2F)CC1 ZINC000850073364 876639247 /nfs/dbraw/zinc/63/92/47/876639247.db2.gz ZZNMIZZKOMPTBT-UHFFFAOYSA-N 0 1 398.400 3.817 20 10 GHCDMN COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2)cc1 ZINC000850345787 876835942 /nfs/dbraw/zinc/83/59/42/876835942.db2.gz KKKZCUGQKSQLJM-OAHLLOKOSA-N 0 1 377.282 3.532 20 10 GHCDMN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(Br)cc1[O-] ZINC000850485186 876958783 /nfs/dbraw/zinc/95/87/83/876958783.db2.gz CKIBFYNUFNPDLR-MRVPVSSYSA-N 0 1 376.176 3.814 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3nnn(-c4ccc(C)cc4)c3C)C2)cc1 ZINC000850487549 876963660 /nfs/dbraw/zinc/96/36/60/876963660.db2.gz IDOOGRPBXYYCPP-PKOBYXMFSA-N 0 1 391.519 3.822 20 10 GHCDMN COC(=O)c1nc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])ccc1Cl ZINC000850513954 876984758 /nfs/dbraw/zinc/98/47/58/876984758.db2.gz QSYICEFWCYWBCH-VIFPVBQESA-N 0 1 399.672 3.841 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000850540534 877009394 /nfs/dbraw/zinc/00/93/94/877009394.db2.gz MCGGJZYJXDXAPL-RVSPLBMKSA-N 0 1 378.314 3.950 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179779488 878006123 /nfs/dbraw/zinc/00/61/23/878006123.db2.gz PQPQIKVQMRRFMC-CQSZACIVSA-N 0 1 387.281 3.577 20 10 GHCDMN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000789367796 878905845 /nfs/dbraw/zinc/90/58/45/878905845.db2.gz WPJPMQQCPWUNHJ-ZDUSSCGKSA-N 0 1 386.423 3.884 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000790409003 879686013 /nfs/dbraw/zinc/68/60/13/879686013.db2.gz KDRFQNKQUPCAEL-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2nc3ccc(Br)cc3n2C)c1 ZINC000776800418 880366897 /nfs/dbraw/zinc/36/68/97/880366897.db2.gz ZGJFQXCJHSJWJF-NSHDSACASA-N 0 1 390.281 3.901 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)nc2F)C1 ZINC000791737445 880664183 /nfs/dbraw/zinc/66/41/83/880664183.db2.gz OMLSCIPWPQSNDK-UHFFFAOYSA-N 0 1 384.430 3.720 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000792173332 880963679 /nfs/dbraw/zinc/96/36/79/880963679.db2.gz AMSRUYMDAMZJCU-AWEZNQCLSA-N 0 1 398.887 3.591 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1COc2ccccc2C1 ZINC000804942109 883476422 /nfs/dbraw/zinc/47/64/22/883476422.db2.gz BBUBDABAYNMUCX-NSHDSACASA-N 0 1 381.259 3.750 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2ncccc21 ZINC000805134791 883615043 /nfs/dbraw/zinc/61/50/43/883615043.db2.gz JKTMCPFONLFIFP-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN CC(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccnn1C ZINC000805330057 883760027 /nfs/dbraw/zinc/76/00/27/883760027.db2.gz HSTWMDATIJFYOF-ZDUSSCGKSA-N 0 1 385.295 3.672 20 10 GHCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241783 912795240 /nfs/dbraw/zinc/79/52/40/912795240.db2.gz JFFZSTJUEJZXCH-AUUYWEPGSA-N 0 1 395.341 3.910 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(N2CCNC2=O)c1 ZINC000806202269 884443868 /nfs/dbraw/zinc/44/38/68/884443868.db2.gz GWEBRXBBHSVTNZ-UHFFFAOYSA-N 0 1 395.246 3.550 20 10 GHCDMN O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275249294 912834368 /nfs/dbraw/zinc/83/43/68/912834368.db2.gz ZIFLXTYODUREBM-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527472 884542938 /nfs/dbraw/zinc/54/29/38/884542938.db2.gz VWKHZDNZRAPTBY-UYAOXDASSA-N 0 1 375.415 3.982 20 10 GHCDMN Cc1nc(CC2CCN(Cc3ccc(N(C)C)cc3C(F)(F)F)CC2)no1 ZINC001183930093 912917112 /nfs/dbraw/zinc/91/71/12/912917112.db2.gz PDTMAFYVGNTSBQ-UHFFFAOYSA-N 0 1 382.430 3.918 20 10 GHCDMN Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807512131 885496103 /nfs/dbraw/zinc/49/61/03/885496103.db2.gz LPUCVZSZVNCKRE-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(-c2ccccc2F)c1 ZINC000807833672 885798770 /nfs/dbraw/zinc/79/87/70/885798770.db2.gz CZEZKVHHALNGDA-UHFFFAOYSA-N 0 1 380.206 3.954 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc(Br)cs1 ZINC000807838578 885803864 /nfs/dbraw/zinc/80/38/64/885803864.db2.gz XYEYYXQYHTUUJN-UHFFFAOYSA-N 0 1 382.066 3.848 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808141928 886044201 /nfs/dbraw/zinc/04/42/01/886044201.db2.gz HFHRHQNDBNTILN-OAQYLSRUSA-N 0 1 380.536 3.925 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000862245212 886246729 /nfs/dbraw/zinc/24/67/29/886246729.db2.gz KIQDIMJHRKHCMF-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000862245212 886246748 /nfs/dbraw/zinc/24/67/48/886246748.db2.gz KIQDIMJHRKHCMF-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2ncccc2F)CC1 ZINC000862349746 886307852 /nfs/dbraw/zinc/30/78/52/886307852.db2.gz OOKIAKRMBKJEMR-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000862349746 886307869 /nfs/dbraw/zinc/30/78/69/886307869.db2.gz OOKIAKRMBKJEMR-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000862387269 886342184 /nfs/dbraw/zinc/34/21/84/886342184.db2.gz JHZYYLTVUZSVFV-VIFPVBQESA-N 0 1 381.108 3.510 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000862485331 886406719 /nfs/dbraw/zinc/40/67/19/886406719.db2.gz KSCWDTBLVVDZFC-TZMCWYRMSA-N 0 1 384.314 3.954 20 10 GHCDMN CCOc1ccc(O)c(CNCc2ccc(C(=O)OC)cc2Br)c1 ZINC000809753452 887792575 /nfs/dbraw/zinc/79/25/75/887792575.db2.gz KJWMPSJANUAZJL-UHFFFAOYSA-N 0 1 394.265 3.630 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212403 888290462 /nfs/dbraw/zinc/29/04/62/888290462.db2.gz AMZVYGRMWBJQNV-HOTGVXAUSA-N 0 1 383.414 3.718 20 10 GHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(Br)cc1[O-] ZINC000810248416 888349605 /nfs/dbraw/zinc/34/96/05/888349605.db2.gz USTDOQQQVWLOBA-IXDGSTSKSA-N 0 1 376.294 3.972 20 10 GHCDMN FC(F)Oc1ccc(N2CCC(NCc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000729679102 888463603 /nfs/dbraw/zinc/46/36/03/888463603.db2.gz CVIFMIQTGWKEFW-UHFFFAOYSA-N 0 1 399.445 3.627 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000841746293 888742811 /nfs/dbraw/zinc/74/28/11/888742811.db2.gz XSVQILDGWDZUNH-ZBFHGGJFSA-N 0 1 387.911 3.598 20 10 GHCDMN COc1ccc([C@@H](CNC(=O)CSc2nccs2)N2CCCCC2)cc1 ZINC000916146661 888766706 /nfs/dbraw/zinc/76/67/06/888766706.db2.gz QIJGVYMSNPMEOQ-QGZVFWFLSA-N 0 1 391.562 3.587 20 10 GHCDMN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000121055672 888870637 /nfs/dbraw/zinc/87/06/37/888870637.db2.gz PGPPXMUVYRGZAD-UHFFFAOYSA-N 0 1 388.851 3.625 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000747670160 889120361 /nfs/dbraw/zinc/12/03/61/889120361.db2.gz UHRAWZGLHISLON-QHCPKHFHSA-N 0 1 377.532 3.863 20 10 GHCDMN COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCO4)n2)cc1 ZINC000916567655 889142793 /nfs/dbraw/zinc/14/27/93/889142793.db2.gz ZWORQYFMGZCYBI-UHFFFAOYSA-N 0 1 388.470 3.554 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000916672312 889293289 /nfs/dbraw/zinc/29/32/89/889293289.db2.gz GMKUAYOEKZWVOX-UHFFFAOYSA-N 0 1 395.551 3.606 20 10 GHCDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000122391683 889718862 /nfs/dbraw/zinc/71/88/62/889718862.db2.gz JTJAGXPXILVXIR-IBGZPJMESA-N 0 1 386.561 3.875 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000812781095 890961684 /nfs/dbraw/zinc/96/16/84/890961684.db2.gz ZSZNROJHMYWWKJ-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN CCN(C(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1)C1CCCCC1 ZINC000917089651 891081327 /nfs/dbraw/zinc/08/13/27/891081327.db2.gz ADTGEFGZJVKCGW-LJQANCHMSA-N 0 1 387.568 3.777 20 10 GHCDMN COc1ccc(CNCc2cnccc2C(F)(F)F)cc1Cn1cccn1 ZINC000873140038 891482938 /nfs/dbraw/zinc/48/29/38/891482938.db2.gz IXMRFFFABOUALV-UHFFFAOYSA-N 0 1 376.382 3.644 20 10 GHCDMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccccc3O)c2C1 ZINC000874190796 892027705 /nfs/dbraw/zinc/02/77/05/892027705.db2.gz KDHADROYACPNHR-CVEARBPZSA-N 0 1 395.503 3.568 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000917487164 892075902 /nfs/dbraw/zinc/07/59/02/892075902.db2.gz SWRJQNOCUSAMMJ-UHFFFAOYSA-N 0 1 394.479 3.787 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1[O-] ZINC000825803789 892736467 /nfs/dbraw/zinc/73/64/67/892736467.db2.gz IZEACXROXSXYOA-VHRNVKJDSA-N 0 1 376.298 3.799 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1[O-] ZINC000825803789 892736472 /nfs/dbraw/zinc/73/64/72/892736472.db2.gz IZEACXROXSXYOA-VHRNVKJDSA-N 0 1 376.298 3.799 20 10 GHCDMN COc1cccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1O ZINC000126123725 893305888 /nfs/dbraw/zinc/30/58/88/893305888.db2.gz HGVNNFBWRDJJNR-UHFFFAOYSA-N 0 1 383.492 3.827 20 10 GHCDMN CCN(Cc1cnc(CCOC)s1)Cc1cc(Br)ccc1O ZINC000876794535 893330587 /nfs/dbraw/zinc/33/05/87/893330587.db2.gz XFACOIUNGNBDQK-UHFFFAOYSA-N 0 1 385.327 3.822 20 10 GHCDMN O=[S@](Cc1cccc(NCc2ccc(F)c(F)c2O)c1)C1CCOCC1 ZINC000876862182 893364939 /nfs/dbraw/zinc/36/49/39/893364939.db2.gz JVAMSRFJLXGHEU-AREMUKBSSA-N 0 1 381.444 3.710 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccnc3OC3CCCC3)cc2)CC1 ZINC000876929099 893391720 /nfs/dbraw/zinc/39/17/20/893391720.db2.gz BGGZWARSFYNPLK-UHFFFAOYSA-N 0 1 381.520 3.654 20 10 GHCDMN Oc1ccccc1CN(Cc1ccnc(Br)c1)C[C@@H]1CCCO1 ZINC000815070208 893415055 /nfs/dbraw/zinc/41/50/55/893415055.db2.gz MTMQLZYEIOMGDA-INIZCTEOSA-N 0 1 377.282 3.731 20 10 GHCDMN CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825991297 893746795 /nfs/dbraw/zinc/74/67/95/893746795.db2.gz BZOZVYINJSTECX-UHFFFAOYSA-N 0 1 393.940 3.824 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825991297 893746803 /nfs/dbraw/zinc/74/68/03/893746803.db2.gz BZOZVYINJSTECX-UHFFFAOYSA-N 0 1 393.940 3.824 20 10 GHCDMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000778330228 894471116 /nfs/dbraw/zinc/47/11/16/894471116.db2.gz ZWMMPRSJPQVTEO-UHFFFAOYSA-N 0 1 392.507 3.556 20 10 GHCDMN O=S(=O)(c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1)N1CCCC1 ZINC000816544681 894915306 /nfs/dbraw/zinc/91/53/06/894915306.db2.gz PKFVZBCJBPLCDJ-UHFFFAOYSA-N 0 1 396.512 3.620 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c(C)n1-c1ccccc1C ZINC000816682095 895022584 /nfs/dbraw/zinc/02/25/84/895022584.db2.gz OSYIXNMWTBZARV-IBGZPJMESA-N 0 1 395.547 3.728 20 10 GHCDMN CCn1ccnc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000569563912 898790794 /nfs/dbraw/zinc/79/07/94/898790794.db2.gz PWKIGEAHROCQSH-QGZVFWFLSA-N 0 1 393.535 3.502 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4ccncc4s3)cc2F)CC1 ZINC000823161199 898883044 /nfs/dbraw/zinc/88/30/44/898883044.db2.gz BESGVGMWGLMIBE-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN COc1ccc(-n2cc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cn2)cc1 ZINC000823386922 899001854 /nfs/dbraw/zinc/00/18/54/899001854.db2.gz QAXHDJNKABRKBG-QFIPXVFZSA-N 0 1 393.487 3.768 20 10 GHCDMN CS[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824683965 899764366 /nfs/dbraw/zinc/76/43/66/899764366.db2.gz ZDPONRWEQMSPIU-SNVBAGLBSA-N 0 1 381.133 3.855 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000825117602 899988557 /nfs/dbraw/zinc/98/85/57/899988557.db2.gz HZVZRKWXKCCMEZ-OIISXLGYSA-N 0 1 394.313 3.638 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000134784792 900120179 /nfs/dbraw/zinc/12/01/79/900120179.db2.gz DCQQLQGMJHGAHI-QUCCMNQESA-N 0 1 375.415 3.961 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000134784792 900120180 /nfs/dbraw/zinc/12/01/80/900120180.db2.gz DCQQLQGMJHGAHI-QUCCMNQESA-N 0 1 375.415 3.961 20 10 GHCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144292545 901621502 /nfs/dbraw/zinc/62/15/02/901621502.db2.gz FJXXLXPEVBFLLU-UHFFFAOYSA-N 0 1 391.281 3.640 20 10 GHCDMN CCOCc1cnc2n1CCN(Cc1cc(Br)c(F)cc1O)[C@@H]2C ZINC001144301119 901673345 /nfs/dbraw/zinc/67/33/45/901673345.db2.gz JUOFUCRVIHVULI-LLVKDONJSA-N 0 1 398.276 3.604 20 10 GHCDMN CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306951 901687559 /nfs/dbraw/zinc/68/75/59/901687559.db2.gz XVKINKWZLAVWBL-JTQLQIEISA-N 0 1 384.249 3.619 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001144307585 901696927 /nfs/dbraw/zinc/69/69/27/901696927.db2.gz AZMKGEYDVQLEIJ-OAHLLOKOSA-N 0 1 380.257 3.737 20 10 GHCDMN CC(C)(C)C(=O)Nc1ccc(N)nc1NCc1cc(Br)ccc1O ZINC001171173897 901997059 /nfs/dbraw/zinc/99/70/59/901997059.db2.gz BMIPJLGEGQXFBX-UHFFFAOYSA-N 0 1 393.285 3.729 20 10 GHCDMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845972705 902552548 /nfs/dbraw/zinc/55/25/48/902552548.db2.gz STOSZSDURUCCGK-GFCCVEGCSA-N 0 1 383.897 3.699 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(Br)cc1[O-] ZINC000846215437 902791884 /nfs/dbraw/zinc/79/18/84/902791884.db2.gz KQYFYLJMVYWOLT-NHYWBVRUSA-N 0 1 377.282 3.582 20 10 GHCDMN O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1cccc2nsnc21 ZINC000578276636 903681655 /nfs/dbraw/zinc/68/16/55/903681655.db2.gz WWKJKKQCEDCWDP-UHFFFAOYSA-N 0 1 384.442 3.679 20 10 GHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151515600 904147263 /nfs/dbraw/zinc/14/72/63/904147263.db2.gz POTHGBNRIQPRRO-HNNXBMFYSA-N 0 1 388.483 3.655 20 10 GHCDMN COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 ZINC000151516205 904147339 /nfs/dbraw/zinc/14/73/39/904147339.db2.gz BWLOXXMOCAQXIU-AWEZNQCLSA-N 0 1 376.447 3.785 20 10 GHCDMN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773042512 904393153 /nfs/dbraw/zinc/39/31/53/904393153.db2.gz BNODFNWPWKOUFI-PVPMGCCUSA-N 0 1 392.952 3.765 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184969117 907688995 /nfs/dbraw/zinc/68/89/95/907688995.db2.gz BVCSSAZXVJPTRA-CYBMUJFWSA-N 0 1 395.334 3.697 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1[O-] ZINC000185054048 907704836 /nfs/dbraw/zinc/70/48/36/907704836.db2.gz ZPJLDKSERBFANE-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000191559489 908642052 /nfs/dbraw/zinc/64/20/52/908642052.db2.gz NDFGQOXGXXBQJA-JTQLQIEISA-N 0 1 399.310 3.681 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000193991126 908906727 /nfs/dbraw/zinc/90/67/27/908906727.db2.gz RGKPUWUNNABDHQ-FQEVSTJZSA-N 0 1 392.902 3.918 20 10 GHCDMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000194721121 908917583 /nfs/dbraw/zinc/91/75/83/908917583.db2.gz OVXKIIZODFWGSA-HUUCEWRRSA-N 0 1 399.450 3.535 20 10 GHCDMN CCc1ncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000267648871 909575061 /nfs/dbraw/zinc/57/50/61/909575061.db2.gz UCPIILXRCZAPAR-UHFFFAOYSA-N 0 1 385.455 3.851 20 10 GHCDMN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H](C(F)(F)F)O1 ZINC001179877585 909797440 /nfs/dbraw/zinc/79/74/40/909797440.db2.gz HTPDSAWKYHFQKP-CPCISQLKSA-N 0 1 388.611 3.960 20 10 GHCDMN Cc1cc(Br)cc(CN2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC001181588688 910848795 /nfs/dbraw/zinc/84/87/95/910848795.db2.gz IYNAKIIEWSFJDS-INIZCTEOSA-N 0 1 399.329 3.952 20 10 GHCDMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622216 910885685 /nfs/dbraw/zinc/88/56/85/910885685.db2.gz RPQKDWDXGJGLOS-GDBMZVCRSA-N 0 1 382.451 3.893 20 10 GHCDMN Oc1c(Br)cccc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000247285586 911096832 /nfs/dbraw/zinc/09/68/32/911096832.db2.gz YUGAYDOHBMQBGS-UKRRQHHQSA-N 0 1 398.322 3.541 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000774202807 911483534 /nfs/dbraw/zinc/48/35/34/911483534.db2.gz CVQUGCHWZWWTQI-IAGOWNOFSA-N 0 1 384.520 3.907 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092731121 911757811 /nfs/dbraw/zinc/75/78/11/911757811.db2.gz FRGVSWAOCXIFLO-DZGCQCFKSA-N 0 1 383.330 3.672 20 10 GHCDMN CC(C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971014 915312296 /nfs/dbraw/zinc/31/22/96/915312296.db2.gz UNVRIBMSXZAKSC-JOCHJYFZSA-N 0 1 396.531 3.810 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3C)CC2)cc1 ZINC000097476977 915587162 /nfs/dbraw/zinc/58/71/62/915587162.db2.gz OHHCFOGYYVLMOO-VQTJNVASSA-N 0 1 395.547 3.782 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000775286961 916853134 /nfs/dbraw/zinc/85/31/34/916853134.db2.gz SBZRGDRMMXPYGX-UHFFFAOYSA-N 0 1 397.408 3.879 20 10 GHCDMN COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001190259592 917216819 /nfs/dbraw/zinc/21/68/19/917216819.db2.gz OEOGJZHGBILGBU-UHFFFAOYSA-N 0 1 375.368 3.837 20 10 GHCDMN CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])c1 ZINC000775493899 918336664 /nfs/dbraw/zinc/33/66/64/918336664.db2.gz WJAGPHBEYVBWTI-SFHVURJKSA-N 0 1 376.884 3.801 20 10 GHCDMN CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1[O-] ZINC000775498073 918364980 /nfs/dbraw/zinc/36/49/80/918364980.db2.gz GRWWYKVGJFMEJQ-PXAZEXFGSA-N 0 1 382.913 3.756 20 10 GHCDMN CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000800502709 920197868 /nfs/dbraw/zinc/19/78/68/920197868.db2.gz GBZFBMWPYUMINN-GOSISDBHSA-N 0 1 381.925 3.744 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000800841664 920518159 /nfs/dbraw/zinc/51/81/59/920518159.db2.gz JSGTZAXUGDCYPQ-UHFFFAOYSA-N 0 1 375.368 3.919 20 10 GHCDMN COc1ccccc1[C@@H](NCc1c(O)ccc(Cl)c1F)c1nccn1C ZINC000365352589 920691893 /nfs/dbraw/zinc/69/18/93/920691893.db2.gz AOGQPYGOBXPCQN-GOSISDBHSA-N 0 1 375.831 3.806 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CCSCC2 ZINC000827095867 924737559 /nfs/dbraw/zinc/73/75/59/924737559.db2.gz MRIZXHPVUDTBQW-DLBZAZTESA-N 0 1 394.968 3.660 20 10 GHCDMN CCCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccccc1O ZINC000750875731 927911761 /nfs/dbraw/zinc/91/17/61/927911761.db2.gz WEVFXRDZUCJNKB-UHFFFAOYSA-N 0 1 397.519 3.725 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752597551 928915378 /nfs/dbraw/zinc/91/53/78/928915378.db2.gz XODBMICYZSPYHL-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597551 928915387 /nfs/dbraw/zinc/91/53/87/928915387.db2.gz XODBMICYZSPYHL-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597551 928915393 /nfs/dbraw/zinc/91/53/93/928915393.db2.gz XODBMICYZSPYHL-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN C[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757657115 929761070 /nfs/dbraw/zinc/76/10/70/929761070.db2.gz LPJHEOFOBGCBGJ-CQSZACIVSA-N 0 1 385.464 3.603 20 10 GHCDMN CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000757658022 929761256 /nfs/dbraw/zinc/76/12/56/929761256.db2.gz VITOYVRFYMJPJV-OAHLLOKOSA-N 0 1 391.471 3.657 20 10 GHCDMN CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1C ZINC000784668417 931971767 /nfs/dbraw/zinc/97/17/67/931971767.db2.gz OVAFKKBTHIVAKI-TVQRCGJNSA-N 0 1 393.119 3.774 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](c3ncc[nH]3)C3CCCCC3)cc2)C1 ZINC000796703385 932035073 /nfs/dbraw/zinc/03/50/73/932035073.db2.gz TYAIOJSRBFMBCJ-FPOVZHCZSA-N 0 1 395.551 3.523 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000797141555 932199495 /nfs/dbraw/zinc/19/94/95/932199495.db2.gz QMSQLMFHFXROSD-VWYCJHECSA-N 0 1 382.917 3.773 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnn1CC1CCC1 ZINC000926561097 932228719 /nfs/dbraw/zinc/22/87/19/932228719.db2.gz XZKZZIAQOMUSRI-OAHLLOKOSA-N 0 1 390.478 3.649 20 10 GHCDMN COc1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)ccc1O ZINC000797820415 932416944 /nfs/dbraw/zinc/41/69/44/932416944.db2.gz WQSRXTUYJNDFPB-UHFFFAOYSA-N 0 1 378.233 3.517 20 10 GHCDMN Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c([O-])cccc3F)O2)cs1 ZINC001137835592 935815308 /nfs/dbraw/zinc/81/53/08/935815308.db2.gz KOIPUKRVHKTDSG-XFQXTVEOSA-N 0 1 392.496 3.635 20 10 GHCDMN COCCC[N@@H+](Cc1c([O-])cccc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001137837389 935816593 /nfs/dbraw/zinc/81/65/93/935816593.db2.gz DVZGFOLJERVRIA-INIZCTEOSA-N 0 1 396.503 3.769 20 10 GHCDMN Cc1cc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)c(C)n1-c1ccccc1 ZINC001137859355 935829755 /nfs/dbraw/zinc/82/97/55/935829755.db2.gz UYTWYTGASZBQKW-JOCHJYFZSA-N 0 1 388.515 3.884 20 10 GHCDMN COC1CCN(c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001604501332 973425612 /nfs/dbraw/zinc/42/56/12/973425612.db2.gz XIIHHRJDQSFBOR-XZOQPEGZSA-N 0 1 394.515 3.602 20 10 GHCDMN Cn1c2ccc(F)cc2c(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC001598536700 992847402 /nfs/dbraw/zinc/84/74/02/992847402.db2.gz CFTCKVUUMKMWAM-UHFFFAOYSA-N 0 1 387.480 3.983 20 10 GHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC001598536700 992847406 /nfs/dbraw/zinc/84/74/06/992847406.db2.gz CFTCKVUUMKMWAM-UHFFFAOYSA-N 0 1 387.480 3.983 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001599583876 993586601 /nfs/dbraw/zinc/58/66/01/993586601.db2.gz HKYXHJJRBQUCOW-UHFFFAOYSA-N 0 1 396.409 3.980 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3[C@H](C)CCC[C@@H]3C)cc2F)CC1 ZINC001226824135 1032144222 /nfs/dbraw/zinc/14/42/22/1032144222.db2.gz FYQCEJOBFWQGBX-LFUKPOHLSA-N 0 1 390.547 3.592 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(OCc2ccc(OC(C)C)c(C)c2)c1O ZINC001227621446 1032488809 /nfs/dbraw/zinc/48/88/09/1032488809.db2.gz DNFLRQYJNBHWAE-UHFFFAOYSA-N 0 1 394.445 3.702 20 10 GHCDMN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O ZINC001204235520 1032681410 /nfs/dbraw/zinc/68/14/10/1032681410.db2.gz AJPUNIBQWHCPQU-SFHVURJKSA-N 0 1 388.414 3.599 20 10 GHCDMN COc1cc(Br)cc(CN2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001204338551 1032779922 /nfs/dbraw/zinc/77/99/22/1032779922.db2.gz KJFSOMVOCNFVEY-KRWDZBQOSA-N 0 1 391.309 3.652 20 10 GHCDMN COc1cc(Br)cc(CN2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001204338626 1032781218 /nfs/dbraw/zinc/78/12/18/1032781218.db2.gz TZIWBUSKZOQNLI-HOTGVXAUSA-N 0 1 388.261 3.575 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@@H]1CCOc2ccccc21 ZINC001228520251 1032968405 /nfs/dbraw/zinc/96/84/05/1032968405.db2.gz XKVLBWSJFAUPTP-LJQANCHMSA-N 0 1 394.379 3.643 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140344722 1021459533 /nfs/dbraw/zinc/45/95/33/1021459533.db2.gz KOJZSCLXDJLTRO-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140344722 1021459539 /nfs/dbraw/zinc/45/95/39/1021459539.db2.gz KOJZSCLXDJLTRO-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001204584890 1032986352 /nfs/dbraw/zinc/98/63/52/1032986352.db2.gz JOSQZXQCXJBJFY-OAHLLOKOSA-N 0 1 376.447 3.842 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834916461 1021684605 /nfs/dbraw/zinc/68/46/05/1021684605.db2.gz ZDJGNLRDXIQPAX-UONOGXRCSA-N 0 1 391.309 3.553 20 10 GHCDMN CN(C)c1ccc(/C=C\CNCc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000835041914 1021799042 /nfs/dbraw/zinc/79/90/42/1021799042.db2.gz BPBMTRGEGGEEJW-ARJAWSKDSA-N 0 1 375.398 3.617 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2cn(CC)nc21 ZINC001140852199 1022700648 /nfs/dbraw/zinc/70/06/48/1022700648.db2.gz FWHFDEGTUDTOFG-LJQANCHMSA-N 0 1 386.540 3.591 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853108 1022703102 /nfs/dbraw/zinc/70/31/02/1022703102.db2.gz MGEHWLHVNCZOKR-OALUTQOASA-N 0 1 389.540 3.822 20 10 GHCDMN COc1cc(CN2CCN(c3nc(C)cs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754727343 1022862481 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381.501 3.938 20 10 GHCDMN Cc1cc(Cl)nc(C(F)(F)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001156656979 1033161632 /nfs/dbraw/zinc/16/16/32/1033161632.db2.gz FSGITKYZOAIAQF-UHFFFAOYSA-N 0 1 380.870 3.634 20 10 GHCDMN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)nc1-c1ccccc1F ZINC001156659969 1033162859 /nfs/dbraw/zinc/16/28/59/1033162859.db2.gz RFQRTJLVPDPOJW-UHFFFAOYSA-N 0 1 391.494 3.955 20 10 GHCDMN CN1CCN(c2ccc(CNC(F)(F)Sc3ccc(Cl)nc3)cc2)CC1 ZINC001156660006 1033163182 /nfs/dbraw/zinc/16/31/82/1033163182.db2.gz RPXNYCDUPWXXMG-UHFFFAOYSA-N 0 1 398.910 3.919 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001138127278 1024173989 /nfs/dbraw/zinc/17/39/89/1024173989.db2.gz VMOQTAGHFJSKKW-QHCPKHFHSA-N 0 1 391.446 3.662 20 10 GHCDMN CN1CCCc2cc(CN3CCO[C@@]4(CCCN(c5ccccc5)C4)C3)ccc21 ZINC001138355107 1024717686 /nfs/dbraw/zinc/71/76/86/1024717686.db2.gz HEUWUGRYUALGMS-VWLOTQADSA-N 0 1 391.559 3.940 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc3c(c1)CCCN3C)[C@@H]2C ZINC001138357674 1024721738 /nfs/dbraw/zinc/72/17/38/1024721738.db2.gz VDHFXYSYNQDNTC-GOSISDBHSA-N 0 1 381.568 3.683 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001141367858 1024741108 /nfs/dbraw/zinc/74/11/08/1024741108.db2.gz UHNYGZNPBVQBOW-UHFFFAOYSA-N 0 1 396.716 3.915 20 10 GHCDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375160 1024769206 /nfs/dbraw/zinc/76/92/06/1024769206.db2.gz YBMSDOZUCLUMOV-JTQLQIEISA-N 0 1 376.678 3.583 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](Oc3cc(OC)ccn3)C2)c(OC)c1 ZINC001138391974 1024769494 /nfs/dbraw/zinc/76/94/94/1024769494.db2.gz LJKJJHJFQATBRG-FQEVSTJZSA-N 0 1 385.508 3.598 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4ccc(OC)cc34)CC2)cc1 ZINC001138509435 1024947279 /nfs/dbraw/zinc/94/72/79/1024947279.db2.gz CWMDRJUJFJMECK-UHFFFAOYSA-N 0 1 395.503 3.524 20 10 GHCDMN COC(=O)c1cc2c(ncnc2N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)[nH]1 ZINC001163487904 1026211354 /nfs/dbraw/zinc/21/13/54/1026211354.db2.gz XKMGDNMGFGCVDI-QGZVFWFLSA-N 0 1 380.448 3.754 20 10 GHCDMN Cc1ccc(C2=NO[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)cc1 ZINC001141737665 1026387444 /nfs/dbraw/zinc/38/74/44/1026387444.db2.gz DAOACOUYJSZMAN-INIZCTEOSA-N 0 1 379.243 3.817 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)Cc2cnn(CC3CC3)c21 ZINC001139671432 1026526002 /nfs/dbraw/zinc/52/60/02/1026526002.db2.gz LYJOKWNZQMXYPB-NRFANRHFSA-N 0 1 382.552 3.803 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139689738 1026542133 /nfs/dbraw/zinc/54/21/33/1026542133.db2.gz LBESTTMVZUKBDN-SNVBAGLBSA-N 0 1 389.324 3.523 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ncc(C)s4)C3)C2)cc1 ZINC001139809378 1026634236 /nfs/dbraw/zinc/63/42/36/1026634236.db2.gz WKBMVEQDDNIZSU-OAQYLSRUSA-N 0 1 387.549 3.579 20 10 GHCDMN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140054197 1026833507 /nfs/dbraw/zinc/83/35/07/1026833507.db2.gz LKCINEUDAXMYPI-UHFFFAOYSA-N 0 1 397.475 3.841 20 10 GHCDMN CCOC[C@@H]1COCCC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140101143 1026878721 /nfs/dbraw/zinc/87/87/21/1026878721.db2.gz KTKSTTIHEGRYTO-OAHLLOKOSA-N 0 1 398.341 3.810 20 10 GHCDMN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1c([O-])cccc1Br)C2 ZINC001140103985 1026885529 /nfs/dbraw/zinc/88/55/29/1026885529.db2.gz XCQNZHLFERACMN-CYBMUJFWSA-N 0 1 392.293 3.944 20 10 GHCDMN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1c([O-])cccc1Br)C2 ZINC001140103985 1026885538 /nfs/dbraw/zinc/88/55/38/1026885538.db2.gz XCQNZHLFERACMN-CYBMUJFWSA-N 0 1 392.293 3.944 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cc4cc(OC)ccc4o3)CC2)cc1 ZINC001209772272 1027178233 /nfs/dbraw/zinc/17/82/33/1027178233.db2.gz AWUBTTCTBKPHNW-UHFFFAOYSA-N 0 1 396.487 3.789 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000840116678 1027224493 /nfs/dbraw/zinc/22/44/93/1027224493.db2.gz QCUIVIXDQXLQGD-IOMROCGXSA-N 0 1 395.499 3.844 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000840116678 1027224512 /nfs/dbraw/zinc/22/45/12/1027224512.db2.gz QCUIVIXDQXLQGD-IOMROCGXSA-N 0 1 395.499 3.844 20 10 GHCDMN COc1ccccc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001203439648 1027339692 /nfs/dbraw/zinc/33/96/92/1027339692.db2.gz QXDSIRUVOFFFAZ-UHFFFAOYSA-N 0 1 389.499 3.991 20 10 GHCDMN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575530 1027445157 /nfs/dbraw/zinc/44/51/57/1027445157.db2.gz QNKSQNPPKMFVKP-UZLBHIALSA-N 0 1 391.298 3.805 20 10 GHCDMN CCOc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)c1O ZINC001203603404 1027468705 /nfs/dbraw/zinc/46/87/05/1027468705.db2.gz NQWSZMVGTLADSH-KRWDZBQOSA-N 0 1 378.513 3.868 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001203650520 1027507214 /nfs/dbraw/zinc/50/72/14/1027507214.db2.gz VXXGLMVIEPLXFM-UHFFFAOYSA-N 0 1 387.321 3.962 20 10 GHCDMN CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203650188 1027508028 /nfs/dbraw/zinc/50/80/28/1027508028.db2.gz LZLIUGLYPUTQTE-UHFFFAOYSA-N 0 1 387.318 3.844 20 10 GHCDMN CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203650188 1027508039 /nfs/dbraw/zinc/50/80/39/1027508039.db2.gz LZLIUGLYPUTQTE-UHFFFAOYSA-N 0 1 387.318 3.844 20 10 GHCDMN COC[C@H]1CN(Cc2cc(OC)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203670975 1027521981 /nfs/dbraw/zinc/52/19/81/1027521981.db2.gz HDXDMVFBHWMDHU-LJQANCHMSA-N 0 1 385.508 3.533 20 10 GHCDMN Cc1[nH]ncc1C1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840484094 1027567577 /nfs/dbraw/zinc/56/75/77/1027567577.db2.gz MSLDUCRDNMLKNB-MRXNPFEDSA-N 0 1 383.540 3.613 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000840757692 1027793702 /nfs/dbraw/zinc/79/37/02/1027793702.db2.gz CCFSLEIJZRCNDI-INIZCTEOSA-N 0 1 398.457 3.838 20 10 GHCDMN COC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000840758192 1027796246 /nfs/dbraw/zinc/79/62/46/1027796246.db2.gz OSRAMQUYWAYCHV-LJQANCHMSA-N 0 1 396.865 3.932 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000840761266 1027802888 /nfs/dbraw/zinc/80/28/88/1027802888.db2.gz UYVRDZGHOAGMOA-MRXNPFEDSA-N 0 1 398.457 3.838 20 10 GHCDMN Oc1ccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC001204099918 1027873209 /nfs/dbraw/zinc/87/32/09/1027873209.db2.gz AZMARGPJWKHIGV-UHFFFAOYSA-N 0 1 375.472 3.688 20 10 GHCDMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001211311331 1027903627 /nfs/dbraw/zinc/90/36/27/1027903627.db2.gz GWMGSRCTFDARDZ-BETUJISGSA-N 0 1 388.339 3.866 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(Cl)cc1[O-] ZINC000841743528 1028905424 /nfs/dbraw/zinc/90/54/24/1028905424.db2.gz ASNBURIBLAQEPC-QLFBSQMISA-N 0 1 375.900 3.905 20 10 GHCDMN COc1cnc(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)c(Br)c1 ZINC001216977466 1030047316 /nfs/dbraw/zinc/04/73/16/1030047316.db2.gz RDSJNQUWSQYPQQ-UHFFFAOYSA-N 0 1 398.600 3.634 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)cc1 ZINC001218954619 1031173530 /nfs/dbraw/zinc/17/35/30/1031173530.db2.gz CYGYTOYGEPJBKT-CRAIPNDOSA-N 0 1 377.410 3.733 20 10 GHCDMN CN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC001277015942 1031220168 /nfs/dbraw/zinc/22/01/68/1031220168.db2.gz JEXUAYZJGFOBCY-IBGZPJMESA-N 0 1 389.293 3.505 20 10 GHCDMN COc1ccc2c(c1)CCN[C@H]2C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157436162 1033589028 /nfs/dbraw/zinc/58/90/28/1033589028.db2.gz ZYRAPAMKUJOASW-IRLDBZIGSA-N 0 1 394.515 3.644 20 10 GHCDMN CC/C=C(\C)[C@@H](CC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229776832 1033705651 /nfs/dbraw/zinc/70/56/51/1033705651.db2.gz MOHMNAKVPQCLQD-YSKGHYERSA-N 0 1 388.372 3.530 20 10 GHCDMN COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC1CCCC1)c2=O ZINC001229790481 1033715829 /nfs/dbraw/zinc/71/58/29/1033715829.db2.gz KGESUCVDPRYYGL-UHFFFAOYSA-N 0 1 384.384 3.907 20 10 GHCDMN [NH3+]CCN(Cc1cc(Br)cc(F)c1[O-])c1ccc2ccccc2n1 ZINC001206319863 1033794082 /nfs/dbraw/zinc/79/40/82/1033794082.db2.gz FSTKSVGPMPBCQH-UHFFFAOYSA-N 0 1 390.256 3.807 20 10 GHCDMN CC(C)CN1CC[C@@]2(CCCN2Cc2cc(Br)c(F)cc2O)C1=O ZINC001276518332 1034220613 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COc1c([O-])c(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1[N+](=O)[O-] ZINC001462586965 1070393858 /nfs/dbraw/zinc/39/38/58/1070393858.db2.gz QCRUIZBFKCSHBN-CYBMUJFWSA-N 0 1 389.477 3.634 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618987 1042285320 /nfs/dbraw/zinc/28/53/20/1042285320.db2.gz LQIKLKSJLBWAIH-BLLLJJGKSA-N 0 1 381.904 3.738 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237618989 1042285538 /nfs/dbraw/zinc/28/55/38/1042285538.db2.gz LQIKLKSJLBWAIH-LRDDRELGSA-N 0 1 381.904 3.738 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)Cc2nn(CC3CC3)cc21 ZINC001237619168 1042286363 /nfs/dbraw/zinc/28/63/63/1042286363.db2.gz OPMSBZXLELINMW-OAHLLOKOSA-N 0 1 393.890 3.927 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)CC1(F)F ZINC001237622769 1042289333 /nfs/dbraw/zinc/28/93/33/1042289333.db2.gz ZMFGSPOTRJPWOD-CYBMUJFWSA-N 0 1 394.821 3.919 20 10 GHCDMN O=C([N-]C1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1)C(F)(F)F ZINC001237644874 1042300876 /nfs/dbraw/zinc/30/08/76/1042300876.db2.gz DXWOSLGUDHFHDT-UHFFFAOYSA-N 0 1 396.384 3.841 20 10 GHCDMN Cc1cc(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1Br ZINC001237676078 1042317337 /nfs/dbraw/zinc/31/73/37/1042317337.db2.gz DQZPFLKFWGPFNG-UHFFFAOYSA-N 0 1 387.318 3.762 20 10 GHCDMN Cc1cnc(OC2CCN(Cc3cc(Br)c(C)cc3O)CC2)nc1 ZINC001237685015 1042326147 /nfs/dbraw/zinc/32/61/47/1042326147.db2.gz MTDSNVCZELLYCB-UHFFFAOYSA-N 0 1 392.297 3.605 20 10 GHCDMN CC(=O)N(C(C)C)C1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237686689 1042326508 /nfs/dbraw/zinc/32/65/08/1042326508.db2.gz WHZGXVXFIWOYGZ-UHFFFAOYSA-N 0 1 383.330 3.684 20 10 GHCDMN COCCOc1ccccc1N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237690945 1042328863 /nfs/dbraw/zinc/32/88/63/1042328863.db2.gz VEPGRBDGRZZTEU-UHFFFAOYSA-N 0 1 390.911 3.701 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237778206 1042365653 /nfs/dbraw/zinc/36/56/53/1042365653.db2.gz UNKUZYAWLJUKHT-CQSZACIVSA-N 0 1 379.241 3.986 20 10 GHCDMN COc1ccccc1CC[N@@H+](C)Cc1cccc(I)c1[O-] ZINC001237781774 1042366288 /nfs/dbraw/zinc/36/62/88/1042366288.db2.gz ZPPDCBSYCCTFDZ-UHFFFAOYSA-N 0 1 397.256 3.680 20 10 GHCDMN CC[N@H+](Cc1cccc(I)c1[O-])Cc1ccccc1O ZINC001237784692 1042368226 /nfs/dbraw/zinc/36/82/26/1042368226.db2.gz WXXMDYXVNHQTRB-UHFFFAOYSA-N 0 1 383.229 3.725 20 10 GHCDMN CC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@@H](C)C(=O)OC ZINC001237786627 1042369327 /nfs/dbraw/zinc/36/93/27/1042369327.db2.gz NSLRMHJJFWVGAA-QMMMGPOBSA-N 0 1 384.192 3.557 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@@H](C)C(=O)OC ZINC001237786627 1042369332 /nfs/dbraw/zinc/36/93/32/1042369332.db2.gz NSLRMHJJFWVGAA-QMMMGPOBSA-N 0 1 384.192 3.557 20 10 GHCDMN CCN(Cc1cc(Br)cc(C(F)(F)F)c1O)[C@@H](C)C(=O)OC ZINC001237786627 1042369337 /nfs/dbraw/zinc/36/93/37/1042369337.db2.gz NSLRMHJJFWVGAA-QMMMGPOBSA-N 0 1 384.192 3.557 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001237786173 1042369472 /nfs/dbraw/zinc/36/94/72/1042369472.db2.gz MNPZNLYBQANRKT-NSHDSACASA-N 0 1 385.167 3.566 20 10 GHCDMN C[N@@H+](Cc1cccc(I)c1[O-])Cc1cccc(F)c1F ZINC001237788982 1042370317 /nfs/dbraw/zinc/37/03/17/1042370317.db2.gz QLMUWMXKDMQJOP-UHFFFAOYSA-N 0 1 389.183 3.907 20 10 GHCDMN Cn1c2ccccc2n(C2CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)c1=O ZINC001237800443 1042376498 /nfs/dbraw/zinc/37/64/98/1042376498.db2.gz YXWXECONPYVGSV-UHFFFAOYSA-N 0 1 389.858 3.675 20 10 GHCDMN CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804193 1042379170 /nfs/dbraw/zinc/37/91/70/1042379170.db2.gz YLUDTYJKYYKMPG-UHFFFAOYSA-N 0 1 388.874 3.877 20 10 GHCDMN CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806226 1042379852 /nfs/dbraw/zinc/37/98/52/1042379852.db2.gz RNEKMACSVSPOEO-HNNXBMFYSA-N 0 1 375.868 3.755 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001237937185 1042427833 /nfs/dbraw/zinc/42/78/33/1042427833.db2.gz NFEBMYBUISYEHG-BLLLJJGKSA-N 0 1 381.904 3.738 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237939166 1042429489 /nfs/dbraw/zinc/42/94/89/1042429489.db2.gz UCQKXSAYLNNUCT-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN COc1c([O-])c(C[NH2+][C@@H](Cc2ccccc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC001462645784 1070439063 /nfs/dbraw/zinc/43/90/63/1070439063.db2.gz OVDWICPAABPKRJ-SFHVURJKSA-N 0 1 379.416 3.778 20 10 GHCDMN CN(C)c1nccc2c1CN(Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC001462670695 1070459619 /nfs/dbraw/zinc/45/96/19/1070459619.db2.gz ZYROWWYQLLRJTN-UHFFFAOYSA-N 0 1 389.499 3.991 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@@H](CCO)c2cccs2)ccc1N1CCCCC1 ZINC000740900424 1044198394 /nfs/dbraw/zinc/19/83/94/1044198394.db2.gz PDOAJKBDZZIRGL-INIZCTEOSA-N 0 1 375.494 3.860 20 10 GHCDMN O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000743391376 1045324631 /nfs/dbraw/zinc/32/46/31/1045324631.db2.gz SHWNSGWUGWHNLY-UHFFFAOYSA-N 0 1 379.416 3.892 20 10 GHCDMN CC(C)Oc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073748 1045889652 /nfs/dbraw/zinc/88/96/52/1045889652.db2.gz UTKUHJAFJUPVOQ-UHFFFAOYSA-N 0 1 385.804 3.603 20 10 GHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(Br)cc3[O-])C2)cc1 ZINC001261677483 1046063526 /nfs/dbraw/zinc/06/35/26/1046063526.db2.gz SJJAGWJJPGKDLD-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN Cc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)cc1Cl ZINC001279433653 1047804968 /nfs/dbraw/zinc/80/49/68/1047804968.db2.gz YUZDOBKQRIRKGF-WBVHZDCISA-N 0 1 392.849 3.582 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)c(Cl)c1 ZINC001280043436 1048061661 /nfs/dbraw/zinc/06/16/61/1048061661.db2.gz OHHWFLIUCXNNCL-KRWDZBQOSA-N 0 1 377.960 3.923 20 10 GHCDMN CCC[C@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)OCC ZINC001280467788 1048223478 /nfs/dbraw/zinc/22/34/78/1048223478.db2.gz MRXKVIOAKWHFEI-GOSISDBHSA-N 0 1 385.552 3.729 20 10 GHCDMN CC[C@H](C)[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC001288331011 1049045372 /nfs/dbraw/zinc/04/53/72/1049045372.db2.gz VLDXIFRDZHVBFO-WMZHIEFXSA-N 0 1 379.548 3.885 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)CC3CC(c4ccccc4)C3)cc2)CC1 ZINC001288334482 1049047150 /nfs/dbraw/zinc/04/71/50/1049047150.db2.gz IPVYTEFGKWPFMJ-UHFFFAOYSA-N 0 1 377.532 3.639 20 10 GHCDMN COc1ccc(N2CC[C@H](NCc3cnn(Cc4ccccc4)c3Cl)C2)cc1 ZINC001308461898 1049981657 /nfs/dbraw/zinc/98/16/57/1049981657.db2.gz UHWITWIMPLBEHK-IBGZPJMESA-N 0 1 396.922 3.962 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cc(OC)c(O)cc3Cl)CC2)cc1 ZINC001308580540 1050017508 /nfs/dbraw/zinc/01/75/08/1050017508.db2.gz VUFBXVYYYCKOBI-UHFFFAOYSA-N 0 1 376.884 3.775 20 10 GHCDMN CN(C[C@H]1CCCN1Cc1ccc(Br)cc1O)C(=O)OC(C)(C)C ZINC001308609531 1050030800 /nfs/dbraw/zinc/03/08/00/1050030800.db2.gz RESZVRMDAXYJPI-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN CN(C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC001308609531 1050030806 /nfs/dbraw/zinc/03/08/06/1050030806.db2.gz RESZVRMDAXYJPI-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN CN(C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC001308609531 1050030815 /nfs/dbraw/zinc/03/08/15/1050030815.db2.gz RESZVRMDAXYJPI-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001308737592 1050076304 /nfs/dbraw/zinc/07/63/04/1050076304.db2.gz JKQHORVLADFKNH-ZDUSSCGKSA-N 0 1 399.235 3.871 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001308737592 1050076307 /nfs/dbraw/zinc/07/63/07/1050076307.db2.gz JKQHORVLADFKNH-ZDUSSCGKSA-N 0 1 399.235 3.871 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308960158 1050219453 /nfs/dbraw/zinc/21/94/53/1050219453.db2.gz DEGNQUFGSPAWJY-SFHVURJKSA-N 0 1 398.247 3.917 20 10 GHCDMN CC1(c2nnc(-c3cccnc3)o2)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327804258 1050282874 /nfs/dbraw/zinc/28/28/74/1050282874.db2.gz QPSWYASOQSPKNA-UHFFFAOYSA-N 0 1 375.476 3.505 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NCc3c(C)cccc3C)cc2F)CC1 ZINC001311893044 1052461738 /nfs/dbraw/zinc/46/17/38/1052461738.db2.gz QKABTPVRTPPKSS-UHFFFAOYSA-N 0 1 398.526 3.584 20 10 GHCDMN CCN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@@H](C)C1 ZINC001312590463 1052802697 /nfs/dbraw/zinc/80/26/97/1052802697.db2.gz MABXSDZAAFKXHC-SJORKVTESA-N 0 1 392.975 3.812 20 10 GHCDMN CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313211199 1052986146 /nfs/dbraw/zinc/98/61/46/1052986146.db2.gz CDSLRJFVSCIABS-HSZRJFAPSA-N 0 1 394.563 3.977 20 10 GHCDMN C[C@H](NCc1cc(OCC(F)F)ccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC001320160437 1055682860 /nfs/dbraw/zinc/68/28/60/1055682860.db2.gz BORAODVMLJEZFW-AWEZNQCLSA-N 0 1 395.425 3.552 20 10 GHCDMN C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC001323794037 1057014063 /nfs/dbraw/zinc/01/40/63/1057014063.db2.gz MYTKRAHMQIAWAG-UHFFFAOYSA-N 0 1 376.456 3.702 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCN1Cc1cccnc1 ZINC001324011310 1057054925 /nfs/dbraw/zinc/05/49/25/1057054925.db2.gz FGHCPMNARCDYKG-QGZVFWFLSA-N 0 1 394.302 3.765 20 10 GHCDMN Cc1cc(C(=O)CN2CCN(C(C)(C)C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC001324708104 1057208700 /nfs/dbraw/zinc/20/87/00/1057208700.db2.gz IUVQXNOQHQQTJB-UHFFFAOYSA-N 0 1 388.943 3.741 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc1-c1ccccc1 ZINC001325860216 1057375270 /nfs/dbraw/zinc/37/52/70/1057375270.db2.gz OEUOQCRXWCLMSV-UHFFFAOYSA-N 0 1 399.497 3.804 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)n(C4CC4)c3C)cc2F)CC1 ZINC001326911389 1057572447 /nfs/dbraw/zinc/57/24/47/1057572447.db2.gz UPSNFXVKTPVCTN-UHFFFAOYSA-N 0 1 398.526 3.651 20 10 GHCDMN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC001450722519 1060665285 /nfs/dbraw/zinc/66/52/85/1060665285.db2.gz RKZKBFWFZUTFFH-SNVBAGLBSA-N 0 1 379.243 3.831 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C34CCC(CC3)C4(C)C)CC2)cc1 ZINC001349003819 1063491657 /nfs/dbraw/zinc/49/16/57/1063491657.db2.gz ISMPMCBPGOTBKD-UHFFFAOYSA-N 0 1 399.579 3.540 20 10 GHCDMN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCc1cc(Cl)cc(Cl)c1O ZINC001468666813 1067813671 /nfs/dbraw/zinc/81/36/71/1067813671.db2.gz AXBDBMCFUAKUIP-LBPRGKRZSA-N 0 1 383.206 3.580 20 10 GHCDMN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000849394351 1067832597 /nfs/dbraw/zinc/83/25/97/1067832597.db2.gz SBLZJCGCAYIFEH-ZETCQYMHSA-N 0 1 380.215 3.707 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC001470877489 1072785751 /nfs/dbraw/zinc/78/57/51/1072785751.db2.gz BGPVDJWCECGXQI-JOCHJYFZSA-N 0 1 380.536 3.559 20 10 GHCDMN Cc1ccc(CN2CC[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)C2)cc1 ZINC001471314898 1073014321 /nfs/dbraw/zinc/01/43/21/1073014321.db2.gz GDGMYUCABQSLPF-INIZCTEOSA-N 0 1 382.485 3.625 20 10 GHCDMN Cc1cc(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)ccc1N(C)C ZINC001473157683 1073815683 /nfs/dbraw/zinc/81/56/83/1073815683.db2.gz LIFBXWJWVGJFEA-JOCHJYFZSA-N 0 1 387.955 3.566 20 10 GHCDMN CCCN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O ZINC001473195816 1073847717 /nfs/dbraw/zinc/84/77/17/1073847717.db2.gz IYWQOQPXPVHVBV-UHFFFAOYSA-N 0 1 378.375 3.564 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC001474357486 1074361138 /nfs/dbraw/zinc/36/11/38/1074361138.db2.gz JXGKDHNYAXQVBY-UHFFFAOYSA-N 0 1 397.700 3.836 20 10 GHCDMN CN(C)C(=O)O[C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001474534593 1074453396 /nfs/dbraw/zinc/45/33/96/1074453396.db2.gz CKJYMCMPZNTZPU-NRFANRHFSA-N 0 1 379.504 3.522 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OCCC(F)(F)F ZINC001474999535 1074676911 /nfs/dbraw/zinc/67/69/11/1074676911.db2.gz COBMSPABUUTTGQ-ZDUSSCGKSA-N 0 1 380.794 3.689 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000738401161 598619236 /nfs/dbraw/zinc/61/92/36/598619236.db2.gz PIHZCPJJDANJSG-UHFFFAOYSA-N 0 1 379.395 3.507 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)C(=O)OC(C)(C)C ZINC000179450360 835721420 /nfs/dbraw/zinc/72/14/20/835721420.db2.gz NYEAUCOXBPTNBD-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN NC(=O)CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000066080666 836743573 /nfs/dbraw/zinc/74/35/73/836743573.db2.gz UAYZCURVVPQQSZ-ZDUSSCGKSA-N 0 1 391.309 3.785 20 10 GHCDMN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000066080666 836743579 /nfs/dbraw/zinc/74/35/79/836743579.db2.gz UAYZCURVVPQQSZ-ZDUSSCGKSA-N 0 1 391.309 3.785 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000177207702 837886396 /nfs/dbraw/zinc/88/63/96/837886396.db2.gz MMLAXAUJUQNTOI-CQSZACIVSA-N 0 1 384.867 3.671 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000177207702 837886409 /nfs/dbraw/zinc/88/64/09/837886409.db2.gz MMLAXAUJUQNTOI-CQSZACIVSA-N 0 1 384.867 3.671 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000382440601 838125071 /nfs/dbraw/zinc/12/50/71/838125071.db2.gz DVLFYFRIKWKDJZ-DOMZBBRYSA-N 0 1 399.329 3.938 20 10 GHCDMN CN(c1ccccc1)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC001167431196 840038942 /nfs/dbraw/zinc/03/89/42/840038942.db2.gz LWOVKBXNLWTAFI-UHFFFAOYSA-N 0 1 388.519 3.608 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccnc(Cc4ccc(F)cc4)n3)cc2)CC1 ZINC001167431250 840045018 /nfs/dbraw/zinc/04/50/18/840045018.db2.gz OFRATKPBDQNGQP-UHFFFAOYSA-N 0 1 391.494 3.570 20 10 GHCDMN COC(=O)C(C)(C)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167434716 840187365 /nfs/dbraw/zinc/18/73/65/840187365.db2.gz UENQNPAAJRFSSC-UHFFFAOYSA-N 0 1 381.520 3.501 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4nc5cc[nH]cc-5n4)cc3)cc2)CC1 ZINC001167434698 840187498 /nfs/dbraw/zinc/18/74/98/840187498.db2.gz SQKSJMBDKJZXJO-UHFFFAOYSA-N 0 1 398.514 3.989 20 10 GHCDMN COc1ccc(C(=O)N2CCN(Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000025475304 841797736 /nfs/dbraw/zinc/79/77/36/841797736.db2.gz OWSBSKDIUJPFQA-UHFFFAOYSA-N 0 1 376.456 3.512 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000053998864 842059507 /nfs/dbraw/zinc/05/95/07/842059507.db2.gz JMPQSHUDDFPIJQ-UHFFFAOYSA-N 0 1 396.535 3.646 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cc(Br)ccc1[O-] ZINC000279089965 842575560 /nfs/dbraw/zinc/57/55/60/842575560.db2.gz NHHMWILMTJKZPQ-HNNXBMFYSA-N 0 1 378.270 3.749 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713525 842925934 /nfs/dbraw/zinc/92/59/34/842925934.db2.gz HYTATBOSDFMISY-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000758523690 845725655 /nfs/dbraw/zinc/72/56/55/845725655.db2.gz IDUZQCHNGHJKHQ-CYBMUJFWSA-N 0 1 384.701 3.749 20 10 GHCDMN COc1cc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc(OC)c1OC ZINC000271795065 846922040 /nfs/dbraw/zinc/92/20/40/846922040.db2.gz RGAUNAXRFCNKMO-NSHDSACASA-N 0 1 377.412 3.611 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)ccc1[O-] ZINC000155084542 849450312 /nfs/dbraw/zinc/45/03/12/849450312.db2.gz XAZKRARJSPFRKL-MRXNPFEDSA-N 0 1 387.281 3.976 20 10 GHCDMN C[NH+](C)CCc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278201298 849627665 /nfs/dbraw/zinc/62/76/65/849627665.db2.gz UNUKKLPKKSJCCA-UHFFFAOYSA-N 0 1 392.297 3.581 20 10 GHCDMN COc1ccc(OC)c([C@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000732202374 862144872 /nfs/dbraw/zinc/14/48/72/862144872.db2.gz NTEOCZIRFIWZMM-OAQYLSRUSA-N 0 1 383.444 3.738 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3nccnc3c2)C1 ZINC000435556673 850663494 /nfs/dbraw/zinc/66/34/94/850663494.db2.gz NMTVZJLIVDTSMG-UHFFFAOYSA-N 0 1 399.498 3.990 20 10 GHCDMN CCOC[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000435854895 850927789 /nfs/dbraw/zinc/92/77/89/850927789.db2.gz HWZMDCGZTIFGOB-LJQANCHMSA-N 0 1 397.563 3.683 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCn3cccc3[C@H]2C)C1 ZINC000443944893 862233140 /nfs/dbraw/zinc/23/31/40/862233140.db2.gz OIEPXXZWCZHSTD-GOSISDBHSA-N 0 1 390.531 3.813 20 10 GHCDMN CC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C)cc1O ZINC000280894772 862735324 /nfs/dbraw/zinc/73/53/24/862735324.db2.gz FILODFAIEOKMJK-DOTOQJQBSA-N 0 1 377.282 3.730 20 10 GHCDMN O=C(NCc1cccc(Br)c1[O-])c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000765755988 856187469 /nfs/dbraw/zinc/18/74/69/856187469.db2.gz KGYCMMANIDWFAX-UHFFFAOYSA-N 0 1 398.260 3.645 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000701173404 856321050 /nfs/dbraw/zinc/32/10/50/856321050.db2.gz RKGFGKMHSHUQQA-CQSZACIVSA-N 0 1 385.302 3.548 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000761199503 859064141 /nfs/dbraw/zinc/06/41/41/859064141.db2.gz PEEJBGVLTALJIR-SWLSCSKDSA-N 0 1 384.904 3.789 20 10 GHCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895531859 859622450 /nfs/dbraw/zinc/62/24/50/859622450.db2.gz IYUXCIFIJUBRMD-UHFFFAOYSA-N 0 1 397.500 3.625 20 10 GHCDMN C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764819803 859630261 /nfs/dbraw/zinc/63/02/61/859630261.db2.gz PEODVCAGHSNLFT-INIZCTEOSA-N 0 1 397.910 3.608 20 10 GHCDMN CCOc1ccc(-c2cn(C3CN(Cc4cc5c(cc4O)CCC5)C3)nn2)cc1 ZINC000764948944 859693197 /nfs/dbraw/zinc/69/31/97/859693197.db2.gz GVZPMWFQISZZAH-UHFFFAOYSA-N 0 1 390.487 3.595 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000730134311 860873564 /nfs/dbraw/zinc/87/35/64/860873564.db2.gz XUCBHQNPYXVFAB-MJGOQNOKSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CCC(C)C)cc2F)CC1 ZINC000730112256 860877749 /nfs/dbraw/zinc/87/77/49/860877749.db2.gz WSKKPQKYBAORSU-KRWDZBQOSA-N 0 1 378.536 3.592 20 10 GHCDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000185620849 861086164 /nfs/dbraw/zinc/08/61/64/861086164.db2.gz MKBXEIMOMBFIEY-UHFFFAOYSA-N 0 1 385.489 3.748 20 10 GHCDMN CN(C)c1ccc(CNc2ccc(N3CCN(C)CC3)nc2)c(C(F)(F)F)c1 ZINC000792881437 881769061 /nfs/dbraw/zinc/76/90/61/881769061.db2.gz INDYPBIWYFDOIV-UHFFFAOYSA-N 0 1 393.457 3.530 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4ccccc4nc3C)CC2)cc1 ZINC000301071984 865135081 /nfs/dbraw/zinc/13/50/81/865135081.db2.gz MBAHSIITFRERJL-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000301229732 865234523 /nfs/dbraw/zinc/23/45/23/865234523.db2.gz DUZBGILCXIQAJG-CQSZACIVSA-N 0 1 397.704 3.675 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000301229732 865234537 /nfs/dbraw/zinc/23/45/37/865234537.db2.gz DUZBGILCXIQAJG-CQSZACIVSA-N 0 1 397.704 3.675 20 10 GHCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)C1 ZINC000739873078 865805277 /nfs/dbraw/zinc/80/52/77/865805277.db2.gz RVRLRGMGVUCXMT-MRXNPFEDSA-N 0 1 379.456 3.942 20 10 GHCDMN CN(C)c1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000793067125 881907541 /nfs/dbraw/zinc/90/75/41/881907541.db2.gz TYBRQVGZUNHTDI-WXTAPIANSA-N 0 1 384.467 3.981 20 10 GHCDMN Cc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1-c1ccccc1 ZINC000121309437 866050219 /nfs/dbraw/zinc/05/02/19/866050219.db2.gz LRPMPACVKOKOGQ-UHFFFAOYSA-N 0 1 376.504 3.649 20 10 GHCDMN Cc1ncc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1-c1ccccc1 ZINC000121309437 866050234 /nfs/dbraw/zinc/05/02/34/866050234.db2.gz LRPMPACVKOKOGQ-UHFFFAOYSA-N 0 1 376.504 3.649 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)C(F)(F)C2)C1 ZINC000444408046 866081916 /nfs/dbraw/zinc/08/19/16/866081916.db2.gz QHHNEQYUPYJBTL-INIZCTEOSA-N 0 1 389.490 3.912 20 10 GHCDMN CCCN(CC(=O)Nc1ccccc1C(=O)NCC(C)C)Cc1ccccc1O ZINC000303122875 866095753 /nfs/dbraw/zinc/09/57/53/866095753.db2.gz AMKVLKMNLVBHHJ-UHFFFAOYSA-N 0 1 397.519 3.629 20 10 GHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000793215651 882013307 /nfs/dbraw/zinc/01/33/07/882013307.db2.gz DKNWLXTYSCBKLQ-CQSZACIVSA-N 0 1 393.119 3.918 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000743871758 868469757 /nfs/dbraw/zinc/46/97/57/868469757.db2.gz LCVVAQZEFOWEHS-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000743871758 868469762 /nfs/dbraw/zinc/46/97/62/868469762.db2.gz LCVVAQZEFOWEHS-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)c(Br)c1 ZINC000793584772 882290763 /nfs/dbraw/zinc/29/07/63/882290763.db2.gz RPXBRBCAGRSTMZ-UHFFFAOYSA-N 0 1 377.282 3.592 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC(C(C)C)CC3)cc2F)CC1 ZINC000745807283 869829621 /nfs/dbraw/zinc/82/96/21/869829621.db2.gz BOZUFKMPQFUONL-UHFFFAOYSA-N 0 1 390.547 3.545 20 10 GHCDMN CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775526240 870338037 /nfs/dbraw/zinc/33/80/37/870338037.db2.gz PEEUFYBMGJPWMM-DOTOQJQBSA-N 0 1 382.273 3.938 20 10 GHCDMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000920866503 882425777 /nfs/dbraw/zinc/42/57/77/882425777.db2.gz FJPWZSPNOUTZFH-WBVHZDCISA-N 0 1 397.519 3.593 20 10 GHCDMN Cc1cc(C(F)(F)F)nc2[nH]nc(NC(=O)c3ccc(O)c(O)c3Cl)c21 ZINC001193209701 870945995 /nfs/dbraw/zinc/94/59/95/870945995.db2.gz NPKNSIVLPLQJDC-UHFFFAOYSA-N 0 1 386.717 3.602 20 10 GHCDMN [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193247110 870973466 /nfs/dbraw/zinc/97/34/66/870973466.db2.gz LCJVEOFMEJCRJQ-HDJSIYSDSA-N 0 1 392.858 3.803 20 10 GHCDMN O=C(Nc1cncc(Br)c1Cl)c1cc(O)c(O)c(Cl)c1 ZINC001193589313 871176342 /nfs/dbraw/zinc/17/63/42/871176342.db2.gz IFYLDJZBIPWMKV-UHFFFAOYSA-N 0 1 378.009 3.814 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193611519 871187503 /nfs/dbraw/zinc/18/75/03/871187503.db2.gz HHKHUIDZFAGQFG-KSSFIOAISA-N 0 1 388.895 3.734 20 10 GHCDMN CN(Cc1ccccc1)C(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000921048973 882549023 /nfs/dbraw/zinc/54/90/23/882549023.db2.gz FLWZAOGIKJHDSM-UHFFFAOYSA-N 0 1 389.499 3.915 20 10 GHCDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000857847474 882584549 /nfs/dbraw/zinc/58/45/49/882584549.db2.gz ORAMHCNEUUVSLE-HRAATJIYSA-N 0 1 392.503 3.964 20 10 GHCDMN CSc1n[nH]c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c1C(N)=O ZINC001195262881 872290385 /nfs/dbraw/zinc/29/03/85/872290385.db2.gz SNLULXHRDBBDKV-QURGRASLSA-N 0 1 396.432 3.604 20 10 GHCDMN C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)CO1 ZINC000775653291 872384333 /nfs/dbraw/zinc/38/43/33/872384333.db2.gz CSLMUGCSGNFRRH-IUCAKERBSA-N 0 1 379.092 3.526 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000182511821 872472339 /nfs/dbraw/zinc/47/23/39/872472339.db2.gz DDCSEWRYAXMWPZ-AWEZNQCLSA-N 0 1 395.425 3.618 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000775680934 872812978 /nfs/dbraw/zinc/81/29/78/872812978.db2.gz LQCBXHNTXDKNMK-JTQLQIEISA-N 0 1 393.119 3.512 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCc2cccnc21 ZINC000768080051 873052605 /nfs/dbraw/zinc/05/26/05/873052605.db2.gz MFLXNMQSTSVACM-OALUTQOASA-N 0 1 399.922 3.641 20 10 GHCDMN CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768181576 873151246 /nfs/dbraw/zinc/15/12/46/873151246.db2.gz YKQSIUUMJYTABZ-UHFFFAOYSA-N 0 1 377.282 3.788 20 10 GHCDMN C[C@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1O ZINC001197003516 873522780 /nfs/dbraw/zinc/52/27/80/873522780.db2.gz JJZLBTNERGQJAW-ZDUSSCGKSA-N 0 1 388.514 3.770 20 10 GHCDMN Fc1cccc(F)c1[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769558715 874159008 /nfs/dbraw/zinc/15/90/08/874159008.db2.gz HSFFLYGQBNURIE-MRXNPFEDSA-N 0 1 376.422 3.930 20 10 GHCDMN COc1cccc([C@H](C[NH2+]Cc2c([O-])cccc2Br)N(C)C)c1 ZINC000858086404 882832166 /nfs/dbraw/zinc/83/21/66/882832166.db2.gz HOBKDIRYMXEXHL-KRWDZBQOSA-N 0 1 379.298 3.556 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000858098005 882843558 /nfs/dbraw/zinc/84/35/58/882843558.db2.gz DPBIWHVJYBJNJA-LLVKDONJSA-N 0 1 375.266 3.890 20 10 GHCDMN CCOCc1cc(CNCc2ccnc(OCC(F)(F)F)c2)ccc1OC ZINC001199309062 874904676 /nfs/dbraw/zinc/90/46/76/874904676.db2.gz FYBCCSYOEAVURX-UHFFFAOYSA-N 0 1 384.398 3.858 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1n1cccn1 ZINC000858173702 882909367 /nfs/dbraw/zinc/90/93/67/882909367.db2.gz FVVJPXDFLOQCAA-UAGQMJEPSA-N 0 1 394.313 3.638 20 10 GHCDMN COc1ccc(N2CC[C@@H]([NH2+]Cc3c([O-])cccc3Br)C2)cc1 ZINC000858186469 882920246 /nfs/dbraw/zinc/92/02/46/882920246.db2.gz CSBIASIXDOFFLC-CYBMUJFWSA-N 0 1 377.282 3.532 20 10 GHCDMN COc1ccc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)cc1 ZINC000858186470 882920295 /nfs/dbraw/zinc/92/02/95/882920295.db2.gz CSBIASIXDOFFLC-ZDUSSCGKSA-N 0 1 377.282 3.532 20 10 GHCDMN COc1cc(Br)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000771935477 875557935 /nfs/dbraw/zinc/55/79/35/875557935.db2.gz VIFGWSDSJMTQPR-QGZVFWFLSA-N 0 1 391.309 3.652 20 10 GHCDMN O=[N+]([O-])c1cc(CNC[C@@H](n2cccn2)C(F)(F)F)ccc1N1CCCCC1 ZINC000858209490 882943553 /nfs/dbraw/zinc/94/35/53/882943553.db2.gz MGYOORWDVUPWQQ-QGZVFWFLSA-N 0 1 397.401 3.675 20 10 GHCDMN CC(C)(C)c1ncc2c(n1)CCN(Cc1cccc(Br)c1O)C2 ZINC000529642038 876432768 /nfs/dbraw/zinc/43/27/68/876432768.db2.gz LILXTDIIOIDRIX-UHFFFAOYSA-N 0 1 376.298 3.801 20 10 GHCDMN Cc1ccccc1CN1CCCN(C(=O)CSc2ncc(Cl)s2)CC1 ZINC000849998152 876583889 /nfs/dbraw/zinc/58/38/89/876583889.db2.gz AXPZOYWQTWCJKN-UHFFFAOYSA-N 0 1 395.981 3.932 20 10 GHCDMN COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000850482675 876956840 /nfs/dbraw/zinc/95/68/40/876956840.db2.gz QSDPHNBQZCJYOJ-YLJYHZDGSA-N 0 1 395.499 3.825 20 10 GHCDMN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000850484491 876958325 /nfs/dbraw/zinc/95/83/25/876958325.db2.gz JUAVKOCGPAMUMD-LBPRGKRZSA-N 0 1 377.282 3.642 20 10 GHCDMN CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccc1O ZINC000109770150 877426345 /nfs/dbraw/zinc/42/63/45/877426345.db2.gz GCKAHPCMYCUEHS-OAQYLSRUSA-N 0 1 384.476 3.930 20 10 GHCDMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001183094841 912279512 /nfs/dbraw/zinc/27/95/12/912279512.db2.gz LUGXSUNIEJDGRA-NSHDSACASA-N 0 1 389.721 3.545 20 10 GHCDMN CS(=O)(=O)c1cccc([C@H](NCc2cc(F)ccc2O)c2ccccc2)c1 ZINC000180925280 879508484 /nfs/dbraw/zinc/50/84/84/879508484.db2.gz COXDMSWZGHESRN-OAQYLSRUSA-N 0 1 385.460 3.814 20 10 GHCDMN COc1ccc(N2CCN(Cc3cc(C)nc4c3CCCC4)CC2)c(OC)c1 ZINC001183419049 912504587 /nfs/dbraw/zinc/50/45/87/912504587.db2.gz HBEYFIHIHIUHHA-UHFFFAOYSA-N 0 1 381.520 3.608 20 10 GHCDMN CCC1=C(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000790788105 879999753 /nfs/dbraw/zinc/99/97/53/879999753.db2.gz QGYGGSJDMVVOQV-INIZCTEOSA-N 0 1 378.900 3.601 20 10 GHCDMN CCC1=C(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000790788105 879999765 /nfs/dbraw/zinc/99/97/65/879999765.db2.gz QGYGGSJDMVVOQV-INIZCTEOSA-N 0 1 378.900 3.601 20 10 GHCDMN CCC1=C(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CCCO1 ZINC000790788105 879999773 /nfs/dbraw/zinc/99/97/73/879999773.db2.gz QGYGGSJDMVVOQV-INIZCTEOSA-N 0 1 378.900 3.601 20 10 GHCDMN O=C(Oc1ccccc1)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166369 880958268 /nfs/dbraw/zinc/95/82/68/880958268.db2.gz ZIBKDPKWDVVMKG-UHFFFAOYSA-N 0 1 378.831 3.891 20 10 GHCDMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)CC2)c1 ZINC000792168328 880959239 /nfs/dbraw/zinc/95/92/39/880959239.db2.gz DATHXWOENPJMJK-UHFFFAOYSA-N 0 1 394.874 3.914 20 10 GHCDMN COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000804936079 883469753 /nfs/dbraw/zinc/46/97/53/883469753.db2.gz HOHPACYZHCSHEZ-UHFFFAOYSA-N 0 1 385.247 3.716 20 10 GHCDMN O=C(NCc1ccc(OCC2CC2)nc1)NCc1cc(Cl)cc(Cl)c1O ZINC000805034169 883575647 /nfs/dbraw/zinc/57/56/47/883575647.db2.gz UASMAHWEWJLNBZ-UHFFFAOYSA-N 0 1 396.274 3.882 20 10 GHCDMN CC(C)(C)c1nnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000805200119 883674768 /nfs/dbraw/zinc/67/47/68/883674768.db2.gz PPMDTAAROFIYRM-UHFFFAOYSA-N 0 1 389.308 3.847 20 10 GHCDMN CC(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241984 912814430 /nfs/dbraw/zinc/81/44/30/912814430.db2.gz OQOYBRZHLMRTRG-IBGZPJMESA-N 0 1 395.341 3.768 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000860485813 884728279 /nfs/dbraw/zinc/72/82/79/884728279.db2.gz GUQSWMYWCFXVGH-OAHLLOKOSA-N 0 1 393.491 3.568 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1cccc(C)c1 ZINC000914880241 885101791 /nfs/dbraw/zinc/10/17/91/885101791.db2.gz YUSZOYAVTDBYSU-QFIPXVFZSA-N 0 1 395.547 3.729 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc2ccncc21 ZINC000807513050 885498016 /nfs/dbraw/zinc/49/80/16/885498016.db2.gz RBTWIEASQHACMT-UHFFFAOYSA-N 0 1 390.226 3.502 20 10 GHCDMN Cc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1Cl ZINC000807512897 885498528 /nfs/dbraw/zinc/49/85/28/885498528.db2.gz NTJXANJIYLQHPM-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN Cc1cc(CN2CCN(Cc3c4c(ccc3O)oc3c4CCCC3)CC2)on1 ZINC000054444615 885749668 /nfs/dbraw/zinc/74/96/68/885749668.db2.gz OZTQTPDWJQWYPF-UHFFFAOYSA-N 0 1 381.476 3.631 20 10 GHCDMN COCCOc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807840982 885773501 /nfs/dbraw/zinc/77/35/01/885773501.db2.gz OWZQLGFECLUJBN-UHFFFAOYSA-N 0 1 384.259 3.583 20 10 GHCDMN CC(C)C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCCCC1=O ZINC000807835881 885800879 /nfs/dbraw/zinc/80/08/79/885800879.db2.gz LJMCBRFKLPYEJG-OAHLLOKOSA-N 0 1 387.307 3.742 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000807838070 885803852 /nfs/dbraw/zinc/80/38/52/885803852.db2.gz KBFPOUMVCIQMHO-UHFFFAOYSA-N 0 1 380.206 3.954 20 10 GHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)C1CCCCC1 ZINC000807838708 885804027 /nfs/dbraw/zinc/80/40/27/885804027.db2.gz PLMWSAAKHDRCOT-NSHDSACASA-N 0 1 387.307 3.790 20 10 GHCDMN CS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000808086736 886007350 /nfs/dbraw/zinc/00/73/50/886007350.db2.gz HCFUJKWPMZFMGH-UHFFFAOYSA-N 0 1 391.232 3.623 20 10 GHCDMN C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c([O-])cccc3Br)CC2)C1 ZINC000862228213 886225429 /nfs/dbraw/zinc/22/54/29/886225429.db2.gz NRLNNFCYBPJMGO-CQSZACIVSA-N 0 1 395.341 3.625 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000809697024 887675593 /nfs/dbraw/zinc/67/55/93/887675593.db2.gz BOADMBDTGQLYTG-TZMCWYRMSA-N 0 1 384.364 3.764 20 10 GHCDMN COC(=O)c1nc([C@H]2CCCN2Cc2c(O)ccc3ccncc32)sc1C ZINC000794660634 887707748 /nfs/dbraw/zinc/70/77/48/887707748.db2.gz HGFVSNBAUXHKGN-MRXNPFEDSA-N 0 1 383.473 3.829 20 10 GHCDMN COC(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000809732990 887715118 /nfs/dbraw/zinc/71/51/18/887715118.db2.gz NQQXEMXQFDHXPA-UHFFFAOYSA-N 0 1 383.448 3.662 20 10 GHCDMN CO[C@@H](C)c1nsc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000809924945 887977798 /nfs/dbraw/zinc/97/77/98/887977798.db2.gz YSRUPQCZYVBQJA-LURJTMIESA-N 0 1 377.253 3.580 20 10 GHCDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(Br)cc1[O-] ZINC000810248417 888350320 /nfs/dbraw/zinc/35/03/20/888350320.db2.gz USTDOQQQVWLOBA-SOVGHPHASA-N 0 1 376.294 3.972 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(C4CC4)ccn3)cc2F)CC1 ZINC000810324571 888395748 /nfs/dbraw/zinc/39/57/48/888395748.db2.gz PMODCDQHUBZKGP-UHFFFAOYSA-N 0 1 397.498 3.562 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccc(C)s3)cc2F)CC1 ZINC000810361193 888454292 /nfs/dbraw/zinc/45/42/92/888454292.db2.gz FMMIAFXSDKQCLJ-UHFFFAOYSA-N 0 1 389.540 3.587 20 10 GHCDMN COc1ccc(N2CCC(NCc3ncc(Br)s3)CC2)cc1 ZINC000865848115 888609644 /nfs/dbraw/zinc/60/96/44/888609644.db2.gz FMHBMQPDBMFZRT-UHFFFAOYSA-N 0 1 382.327 3.673 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)c3ccccc3)CC2)cc1 ZINC000032763951 888826163 /nfs/dbraw/zinc/82/61/63/888826163.db2.gz LHAIVARAXVBJCI-FQEVSTJZSA-N 0 1 395.547 3.517 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000916605044 889175308 /nfs/dbraw/zinc/17/53/08/889175308.db2.gz MVAOCUNHBFWAFL-IBGZPJMESA-N 0 1 394.563 3.731 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000777275546 889608564 /nfs/dbraw/zinc/60/85/64/889608564.db2.gz PHZUMTALMGEVMT-MOEXGYKKSA-N 0 1 391.924 3.605 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000777275546 889608570 /nfs/dbraw/zinc/60/85/70/889608570.db2.gz PHZUMTALMGEVMT-MOEXGYKKSA-N 0 1 391.924 3.605 20 10 GHCDMN Cc1ncsc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000777275546 889608580 /nfs/dbraw/zinc/60/85/80/889608580.db2.gz PHZUMTALMGEVMT-MOEXGYKKSA-N 0 1 391.924 3.605 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC000811528230 889681783 /nfs/dbraw/zinc/68/17/83/889681783.db2.gz AZTGZFYAQUUJQP-HIFRSBDPSA-N 0 1 380.227 3.620 20 10 GHCDMN Cc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC001133123673 890257118 /nfs/dbraw/zinc/25/71/18/890257118.db2.gz VYEYVXWMDVWXFZ-UHFFFAOYSA-N 0 1 385.939 3.649 20 10 GHCDMN CCNC(=O)c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000916845916 890287714 /nfs/dbraw/zinc/28/77/14/890287714.db2.gz VTMWTBHIDYOKQE-UHFFFAOYSA-N 0 1 396.491 3.625 20 10 GHCDMN CCOC(=O)/C(=C\c1ccc(N2CCN(C)CC2)cc1)c1ccncc1Cl ZINC000812247558 890478291 /nfs/dbraw/zinc/47/82/91/890478291.db2.gz PXYBIPHKCGNWIH-RGEXLXHISA-N 0 1 385.895 3.591 20 10 GHCDMN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917075495 890975644 /nfs/dbraw/zinc/97/56/44/890975644.db2.gz XLADJJIRYSLJDE-UHFFFAOYSA-N 0 1 382.508 3.560 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCc2ccccc2C1 ZINC001212054913 891450000 /nfs/dbraw/zinc/45/00/00/891450000.db2.gz SXACMVVJQRLWPI-OAHLLOKOSA-N 0 1 386.300 3.676 20 10 GHCDMN FC(F)(F)c1cc(Cl)nc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000873168410 891494164 /nfs/dbraw/zinc/49/41/64/891494164.db2.gz AAHACOGGNRLDGO-UHFFFAOYSA-N 0 1 385.817 3.880 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(N(C)C)cc1Cl ZINC001275371273 913594646 /nfs/dbraw/zinc/59/46/46/913594646.db2.gz WHPZZQOXKSGUAX-WOJBJXKFSA-N 0 1 375.944 3.938 20 10 GHCDMN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000813682993 891875864 /nfs/dbraw/zinc/87/58/64/891875864.db2.gz OTTCNZJDLLTJAO-UHFFFAOYSA-N 0 1 385.247 3.751 20 10 GHCDMN CN(C)c1ccc(CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000917417520 891957127 /nfs/dbraw/zinc/95/71/27/891957127.db2.gz JWCSESVFJDVXMI-UHFFFAOYSA-N 0 1 382.895 3.579 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1cc(Br)ccc1[O-] ZINC000813883279 892066768 /nfs/dbraw/zinc/06/67/68/892066768.db2.gz RZYBPLAAAQTSAR-GFCCVEGCSA-N 0 1 387.277 3.857 20 10 GHCDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876534505 893216837 /nfs/dbraw/zinc/21/68/37/893216837.db2.gz CSEZGMDXYSNNCT-UHFFFAOYSA-N 0 1 395.547 3.807 20 10 GHCDMN COc1c([O-])c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000774846136 913749401 /nfs/dbraw/zinc/74/94/01/913749401.db2.gz NPLKVXVJCNWLRS-UHFFFAOYSA-N 0 1 394.374 3.631 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000876793701 893329598 /nfs/dbraw/zinc/32/95/98/893329598.db2.gz HKKJGSNTHPRRAR-UHFFFAOYSA-N 0 1 387.224 3.734 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000876793701 893329617 /nfs/dbraw/zinc/32/96/17/893329617.db2.gz HKKJGSNTHPRRAR-UHFFFAOYSA-N 0 1 387.224 3.734 20 10 GHCDMN O=C(c1cccc(NCc2ccc(F)c(F)c2O)c1)N1CCCC[C@@H]1CCO ZINC000876843942 893358663 /nfs/dbraw/zinc/35/86/63/893358663.db2.gz UMGDXTCNFLBESZ-QGZVFWFLSA-N 0 1 390.430 3.660 20 10 GHCDMN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000825922779 893385598 /nfs/dbraw/zinc/38/55/98/893385598.db2.gz XUNPAIAHJMRBPF-OAHLLOKOSA-N 0 1 381.270 3.551 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000918223991 893398543 /nfs/dbraw/zinc/39/85/43/893398543.db2.gz VTMNOHRFBXLKKZ-UHFFFAOYSA-N 0 1 398.526 3.698 20 10 GHCDMN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000154734557 893776499 /nfs/dbraw/zinc/77/64/99/893776499.db2.gz YRUAFCIRJDYUDI-UHFFFAOYSA-N 0 1 376.859 3.713 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049652 894560225 /nfs/dbraw/zinc/56/02/25/894560225.db2.gz NRCKZIZNSWQJIO-ZFWWWQNUSA-N 0 1 380.916 3.765 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049652 894560230 /nfs/dbraw/zinc/56/02/30/894560230.db2.gz NRCKZIZNSWQJIO-ZFWWWQNUSA-N 0 1 380.916 3.765 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc2ccccc21 ZINC000816529591 894898488 /nfs/dbraw/zinc/89/84/88/894898488.db2.gz YMWOKDPPOINOMP-QFIPXVFZSA-N 0 1 380.463 3.848 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CCOC[C@H]3C)no2)C1 ZINC000567397802 897117453 /nfs/dbraw/zinc/11/74/53/897117453.db2.gz XUKYALSSGKTNKF-IAGOWNOFSA-N 0 1 394.519 3.979 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1[O-] ZINC000883263311 897417418 /nfs/dbraw/zinc/41/74/18/897417418.db2.gz PGBNHGOHNHVLFQ-UKRRQHHQSA-N 0 1 384.314 3.781 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000133578787 898687707 /nfs/dbraw/zinc/68/77/07/898687707.db2.gz JKQHDKNYYVPGCW-AWEZNQCLSA-N 0 1 385.302 3.548 20 10 GHCDMN C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000824501643 899671008 /nfs/dbraw/zinc/67/10/08/899671008.db2.gz QYYIBRDKGLPBNV-GFCCVEGCSA-N 0 1 387.318 3.938 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000824673710 899757833 /nfs/dbraw/zinc/75/78/33/899757833.db2.gz WLCASWISJZGLSP-GFCCVEGCSA-N 0 1 382.810 3.823 20 10 GHCDMN COc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])N(C)C)cc1OC ZINC000825051254 899951589 /nfs/dbraw/zinc/95/15/89/899951589.db2.gz ZBXZRCCVDRIEKU-KRWDZBQOSA-N 0 1 378.900 3.764 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000825341300 900104807 /nfs/dbraw/zinc/10/48/07/900104807.db2.gz GFMJTGQFLJFOQB-QGZVFWFLSA-N 0 1 392.293 3.921 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000825391433 900142146 /nfs/dbraw/zinc/14/21/46/900142146.db2.gz VEBQXTKQKPVTIB-CQSZACIVSA-N 0 1 390.199 3.997 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)NCc2cc(Cl)ccc2O)N2CCCC2)o1 ZINC000844943601 901607398 /nfs/dbraw/zinc/60/73/98/901607398.db2.gz SXOONZSHIQOOOA-MRXNPFEDSA-N 0 1 377.872 3.583 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299965 901652203 /nfs/dbraw/zinc/65/22/03/901652203.db2.gz NSJMCAWHXILPGY-NSHDSACASA-N 0 1 388.277 3.848 20 10 GHCDMN CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144306952 901687119 /nfs/dbraw/zinc/68/71/19/901687119.db2.gz XVKINKWZLAVWBL-SNVBAGLBSA-N 0 1 384.249 3.619 20 10 GHCDMN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc(Br)c(F)cc1O ZINC001144307665 901699290 /nfs/dbraw/zinc/69/92/90/901699290.db2.gz FCNBEZXJMIFQFS-INIZCTEOSA-N 0 1 393.256 3.897 20 10 GHCDMN COC(=O)[C@@H]1CN(Cc2cc(Br)c(F)cc2O)Cc2ccccc21 ZINC001144308126 901700331 /nfs/dbraw/zinc/70/03/31/901700331.db2.gz QJNOUZYPMLMGQO-CQSZACIVSA-N 0 1 394.240 3.566 20 10 GHCDMN COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc(OC)c1OCC(F)F ZINC000846055519 902642362 /nfs/dbraw/zinc/64/23/62/902642362.db2.gz MXSPNHMGOJMPLX-UHFFFAOYSA-N 0 1 387.810 3.997 20 10 GHCDMN C[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773001846 904355506 /nfs/dbraw/zinc/35/55/06/904355506.db2.gz QKICHJZNJCKGPK-AWEZNQCLSA-N 0 1 386.446 3.539 20 10 GHCDMN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000773138348 904472364 /nfs/dbraw/zinc/47/23/64/904472364.db2.gz UMKMKVYRISDMFN-ROUUACIJSA-N 0 1 380.536 3.560 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1I ZINC001248469382 904692484 /nfs/dbraw/zinc/69/24/84/904692484.db2.gz JDWNUDRAPHFGAJ-QWRGUYRKSA-N 0 1 375.250 3.626 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1I ZINC001248469382 904692489 /nfs/dbraw/zinc/69/24/89/904692489.db2.gz JDWNUDRAPHFGAJ-QWRGUYRKSA-N 0 1 375.250 3.626 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000773313261 904707451 /nfs/dbraw/zinc/70/74/51/904707451.db2.gz FKWGDXPCYKKFIQ-MRXNPFEDSA-N 0 1 380.448 3.511 20 10 GHCDMN COC(=O)c1ccc(C[C@@H](C)N2CCc3c(c4cc(OC)ccc4n3C)C2)cc1 ZINC001173728816 906693413 /nfs/dbraw/zinc/69/34/13/906693413.db2.gz XZPYHOCGKKNODJ-MRXNPFEDSA-N 0 1 392.499 3.963 20 10 GHCDMN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185177617 907726298 /nfs/dbraw/zinc/72/62/98/907726298.db2.gz LZDONVLRKWHIQC-LBPRGKRZSA-N 0 1 377.282 3.755 20 10 GHCDMN C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(Br)cc1[O-] ZINC000185547544 907789411 /nfs/dbraw/zinc/78/94/11/907789411.db2.gz KMOFOIJGGIYLJG-ZDUSSCGKSA-N 0 1 391.309 3.750 20 10 GHCDMN COc1c(C)cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C ZINC000192898450 908003031 /nfs/dbraw/zinc/00/30/31/908003031.db2.gz QOZQYSMWNHACKU-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN Cc1cc(Br)cc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC001179845610 909765575 /nfs/dbraw/zinc/76/55/75/909765575.db2.gz VOWAFEKSSPSTJQ-UHFFFAOYSA-N 0 1 375.310 3.781 20 10 GHCDMN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1OC ZINC000271006559 910754632 /nfs/dbraw/zinc/75/46/32/910754632.db2.gz NRXLHSMVZJEUJM-SFHVURJKSA-N 0 1 387.476 3.599 20 10 GHCDMN COc1cc(O)c(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1OC ZINC000271094139 910779390 /nfs/dbraw/zinc/77/93/90/910779390.db2.gz LZBVUTYUUJDTCW-UHFFFAOYSA-N 0 1 391.414 3.783 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000774243527 911565144 /nfs/dbraw/zinc/56/51/44/911565144.db2.gz FMEDJWJRMQBGDD-NRFANRHFSA-N 0 1 395.547 3.729 20 10 GHCDMN COc1ncc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl ZINC000284436780 911865777 /nfs/dbraw/zinc/86/57/77/911865777.db2.gz RQWDLQQGPDJKQJ-ZDUSSCGKSA-N 0 1 393.890 3.695 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(C(F)(F)F)ccc3[N+](=O)[O-])cc2)CC1 ZINC001187454793 915262078 /nfs/dbraw/zinc/26/20/78/915262078.db2.gz QHBSJJFZIJQDSV-UHFFFAOYSA-N 0 1 394.397 3.978 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000775143643 915506394 /nfs/dbraw/zinc/50/63/94/915506394.db2.gz AFKKUODHMSHRHZ-YGRLFVJLSA-N 0 1 382.220 3.598 20 10 GHCDMN CCc1cccc(CC)c1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001189777747 916913215 /nfs/dbraw/zinc/91/32/15/916913215.db2.gz GKEPZPMDVODSLG-UHFFFAOYSA-N 0 1 380.536 3.885 20 10 GHCDMN Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC23CCOCC3)cn1 ZINC000294692704 916936345 /nfs/dbraw/zinc/93/63/45/916936345.db2.gz ASURBQRPZMMTSK-INIZCTEOSA-N 0 1 396.318 3.829 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190513098 917375696 /nfs/dbraw/zinc/37/56/96/917375696.db2.gz ZPXHRBYTKGQASI-UHFFFAOYSA-N 0 1 378.453 3.991 20 10 GHCDMN COc1ccc(N(CCC(C)C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000796502769 917875903 /nfs/dbraw/zinc/87/59/03/917875903.db2.gz DNBLQLRVWGGXHF-UHFFFAOYSA-N 0 1 387.505 3.570 20 10 GHCDMN CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498365 918396277 /nfs/dbraw/zinc/39/62/77/918396277.db2.gz YPHNBWGJMYLAFW-DYVFJYSZSA-N 0 1 391.309 3.900 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)CN1CC(F)(F)F ZINC001275893054 919286850 /nfs/dbraw/zinc/28/68/50/919286850.db2.gz OORXMACJICVRNN-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000800502968 920197897 /nfs/dbraw/zinc/19/78/97/920197897.db2.gz JROGAASURBKRAY-KRWDZBQOSA-N 0 1 383.513 3.854 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CCCCc3cn[nH]n3)cc2Cl)C1 ZINC000800571891 920283467 /nfs/dbraw/zinc/28/34/67/920283467.db2.gz PISSPDIWWOAKEC-OAHLLOKOSA-N 0 1 389.931 3.724 20 10 GHCDMN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000802644974 922291510 /nfs/dbraw/zinc/29/15/10/922291510.db2.gz GNILXBNYWFFQQN-VQTJNVASSA-N 0 1 378.497 3.852 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903435808 923027009 /nfs/dbraw/zinc/02/70/09/923027009.db2.gz SHFVYKHFAVQHRX-DGCLKSJQSA-N 0 1 383.279 3.514 20 10 GHCDMN COc1ccccc1N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827310846 925242697 /nfs/dbraw/zinc/24/26/97/925242697.db2.gz RZZIGNNXAWPLEO-UHFFFAOYSA-N 0 1 395.547 3.633 20 10 GHCDMN CCCCN1CC[C@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276078982 925262936 /nfs/dbraw/zinc/26/29/36/925262936.db2.gz VCROARLCVTWOKY-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)s1 ZINC000827950645 926374611 /nfs/dbraw/zinc/37/46/11/926374611.db2.gz SYDUHMQFCKMTOE-JTQLQIEISA-N 0 1 384.860 3.807 20 10 GHCDMN Cc1cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1 ZINC000750578124 927727701 /nfs/dbraw/zinc/72/77/01/927727701.db2.gz QJYZFLVRNIDTAS-UHFFFAOYSA-N 0 1 389.434 3.948 20 10 GHCDMN Cc1cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000750578124 927727705 /nfs/dbraw/zinc/72/77/05/927727705.db2.gz QJYZFLVRNIDTAS-UHFFFAOYSA-N 0 1 389.434 3.948 20 10 GHCDMN Cc1cc(CC(=O)N2CCC(c3nc[nH]n3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000751428791 928187426 /nfs/dbraw/zinc/18/74/26/928187426.db2.gz SMIBQTFZLZOIBV-UHFFFAOYSA-N 0 1 397.910 3.814 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C1CC1 ZINC000752595330 928912109 /nfs/dbraw/zinc/91/21/09/928912109.db2.gz DOWGCRFNQMUJOT-KRWDZBQOSA-N 0 1 385.895 3.712 20 10 GHCDMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(Br)cc(OC)c2O)n[nH]1 ZINC000752930036 929095836 /nfs/dbraw/zinc/09/58/36/929095836.db2.gz VKOBCCHLDDXUNX-VHSXEESVSA-N 0 1 383.290 3.646 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000758524262 930069943 /nfs/dbraw/zinc/06/99/43/930069943.db2.gz IDUZQCHNGHJKHQ-ZDUSSCGKSA-N 0 1 384.701 3.749 20 10 GHCDMN COC(=O)c1ccc(Cl)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000781339536 930802253 /nfs/dbraw/zinc/80/22/53/930802253.db2.gz NRHBUXGJOOUSFY-HNNXBMFYSA-N 0 1 388.895 3.814 20 10 GHCDMN CC(=O)N1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC12CCCCC2 ZINC000781911164 931025491 /nfs/dbraw/zinc/02/54/91/931025491.db2.gz YADGMNOWAXIJPO-UHFFFAOYSA-N 0 1 395.341 3.830 20 10 GHCDMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](OC)CC3)c2C)cc1 ZINC000783019102 931387045 /nfs/dbraw/zinc/38/70/45/931387045.db2.gz WFVLXIQIAKFQPU-HXUWFJFHSA-N 0 1 398.503 3.564 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000927017514 932382379 /nfs/dbraw/zinc/38/23/79/932382379.db2.gz WDILUGHPGJKQDG-GDBMZVCRSA-N 0 1 384.314 3.924 20 10 GHCDMN Cc1ccc(-c2ccnn2C)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000798502358 932678199 /nfs/dbraw/zinc/67/81/99/932678199.db2.gz YWSFFFKONHZTRN-UHFFFAOYSA-N 0 1 375.520 3.759 20 10 GHCDMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684380 933209181 /nfs/dbraw/zinc/20/91/81/933209181.db2.gz UCUBHZDLRUVDCR-IYOUNJFTSA-N 0 1 380.479 3.966 20 10 GHCDMN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N3CCC(OC)CC3)cc1)CC2 ZINC000828604601 935674850 /nfs/dbraw/zinc/67/48/50/935674850.db2.gz UZFQYFMLIGNCTR-UHFFFAOYSA-N 0 1 394.515 3.647 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1O ZINC001599420659 997589065 /nfs/dbraw/zinc/58/90/65/997589065.db2.gz NOYZGFLOHRGCSQ-UHFFFAOYSA-N 0 1 386.231 3.500 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1O ZINC001599420659 997589073 /nfs/dbraw/zinc/58/90/73/997589073.db2.gz NOYZGFLOHRGCSQ-UHFFFAOYSA-N 0 1 386.231 3.500 20 10 GHCDMN O=C1CCCC[C@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227658399 1032507566 /nfs/dbraw/zinc/50/75/66/1032507566.db2.gz KZBSSITVRFMQBW-CQSZACIVSA-N 0 1 396.351 3.700 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NCC1([NH+]2CCSCC2)CCCCC1 ZINC001221925045 1032574217 /nfs/dbraw/zinc/57/42/17/1032574217.db2.gz AKGSIEVXCCZXKO-UHFFFAOYSA-N 0 1 397.972 3.597 20 10 GHCDMN CN(C)c1ccc(CN2CCn3cc(CN4CCCC4)nc3C2)c2ccccc21 ZINC001204236438 1032680917 /nfs/dbraw/zinc/68/09/17/1032680917.db2.gz VPSSXYOACYYFSU-UHFFFAOYSA-N 0 1 389.547 3.714 20 10 GHCDMN COc1cc(Br)cc(CN(C)Cc2cccc(OC)c2OC)c1O ZINC001204341290 1032783144 /nfs/dbraw/zinc/78/31/44/1032783144.db2.gz CKEWBGRHROHLQK-UHFFFAOYSA-N 0 1 396.281 3.813 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001204340517 1032783917 /nfs/dbraw/zinc/78/39/17/1032783917.db2.gz VMJHYFSXVRSBNS-OAHLLOKOSA-N 0 1 393.281 3.520 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nccc4oc(C)cc43)CC2)cc1 ZINC001156262907 1032949208 /nfs/dbraw/zinc/94/92/08/1032949208.db2.gz HTVMTRKZAOFBTH-UHFFFAOYSA-N 0 1 380.492 3.769 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)C1 ZINC001140338140 1021442448 /nfs/dbraw/zinc/44/24/48/1021442448.db2.gz WNBAZZOQVSVRPT-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1 ZINC001140338140 1021442456 /nfs/dbraw/zinc/44/24/56/1021442456.db2.gz WNBAZZOQVSVRPT-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC001140338974 1021444755 /nfs/dbraw/zinc/44/47/55/1021444755.db2.gz BTKZIDZQORZTHK-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC001140338974 1021444770 /nfs/dbraw/zinc/44/47/70/1021444770.db2.gz BTKZIDZQORZTHK-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]2CCCO[C@H]12 ZINC001140338368 1021445574 /nfs/dbraw/zinc/44/55/74/1021445574.db2.gz HBGMGIBOIXZQPW-DLVCFXQMSA-N 0 1 390.911 3.750 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]2CCCO[C@H]12 ZINC001140338368 1021445580 /nfs/dbraw/zinc/44/55/80/1021445580.db2.gz HBGMGIBOIXZQPW-DLVCFXQMSA-N 0 1 390.911 3.750 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4c([O-])cccc4Cl)C3)C2)n1 ZINC001140339893 1021448188 /nfs/dbraw/zinc/44/81/88/1021448188.db2.gz OJHFSYCEUKTWKL-UTKZUKDTSA-N 0 1 388.895 3.699 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4c([O-])cccc4Cl)C3)C2)n1 ZINC001140339893 1021448198 /nfs/dbraw/zinc/44/81/98/1021448198.db2.gz OJHFSYCEUKTWKL-UTKZUKDTSA-N 0 1 388.895 3.699 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140343973 1021458899 /nfs/dbraw/zinc/45/88/99/1021458899.db2.gz BIKCSLOZLCSDMA-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140343973 1021458904 /nfs/dbraw/zinc/45/89/04/1021458904.db2.gz BIKCSLOZLCSDMA-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN COCCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001204592335 1032986998 /nfs/dbraw/zinc/98/69/98/1032986998.db2.gz LYLBAOWPTWXQLH-VOTSOKGWSA-N 0 1 395.547 3.613 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001140465709 1021759842 /nfs/dbraw/zinc/75/98/42/1021759842.db2.gz RSTJFICKCFQOAH-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001140465709 1021759860 /nfs/dbraw/zinc/75/98/60/1021759860.db2.gz RSTJFICKCFQOAH-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN CN(C)c1ccc(/C=C\CN2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000835029996 1021787279 /nfs/dbraw/zinc/78/72/79/1021787279.db2.gz YQZXVZCCZWAZAQ-PLNGDYQASA-N 0 1 377.488 3.781 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140581323 1022002342 /nfs/dbraw/zinc/00/23/42/1022002342.db2.gz UXUQQTZXYCLUMD-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140581323 1022002354 /nfs/dbraw/zinc/00/23/54/1022002354.db2.gz UXUQQTZXYCLUMD-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCCC(C)(C)O)C1 ZINC000835432241 1022132894 /nfs/dbraw/zinc/13/28/94/1022132894.db2.gz PRZQKPVAHUMFGO-UHFFFAOYSA-N 0 1 386.536 3.892 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(O)c1 ZINC001140855840 1022711631 /nfs/dbraw/zinc/71/16/31/1022711631.db2.gz LRWGVNKDUXBDSE-UHFFFAOYSA-N 0 1 381.520 3.763 20 10 GHCDMN Cc1ccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c(O)c1 ZINC001140949690 1022970549 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GHCDMN C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000756760519 1023803746 /nfs/dbraw/zinc/80/37/46/1023803746.db2.gz JRJQKSUABONMPZ-BLLLJJGKSA-N 0 1 381.314 3.739 20 10 GHCDMN CC(C)c1noc(-c2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c2)n1 ZINC001156659956 1033162944 /nfs/dbraw/zinc/16/29/44/1033162944.db2.gz RFADEUNATGGOFZ-UHFFFAOYSA-N 0 1 392.507 3.619 20 10 GHCDMN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756775785 1023811496 /nfs/dbraw/zinc/81/14/96/1023811496.db2.gz SYAZHENFVBOSNA-FZMZJTMJSA-N 0 1 378.266 3.818 20 10 GHCDMN Cc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc4c(c3)OCCN4C)CC1)O2 ZINC001141144159 1023962233 /nfs/dbraw/zinc/96/22/33/1023962233.db2.gz BSBPWMMKVNSPJH-UHFFFAOYSA-N 0 1 392.499 3.824 20 10 GHCDMN COC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)[C@@H](c2ccccc2)C1 ZINC001141144602 1023963168 /nfs/dbraw/zinc/96/31/68/1023963168.db2.gz IENLKLFNVUZEJS-PZJWPPBQSA-N 0 1 380.488 3.642 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 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C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140098572 1026874335 /nfs/dbraw/zinc/87/43/35/1026874335.db2.gz FSMDIABLQPKACP-HZMBPMFUSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140098572 1026874345 /nfs/dbraw/zinc/87/43/45/1026874345.db2.gz FSMDIABLQPKACP-HZMBPMFUSA-N 0 1 382.220 3.680 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c([O-])cccc1Br ZINC001140100703 1026879051 /nfs/dbraw/zinc/87/90/51/1026879051.db2.gz ZUWWKCNEMXQIOE-HUBLWGQQSA-N 0 1 397.313 3.642 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c([O-])cccc1Br ZINC001140100703 1026879060 /nfs/dbraw/zinc/87/90/60/1026879060.db2.gz ZUWWKCNEMXQIOE-HUBLWGQQSA-N 0 1 397.313 3.642 20 10 GHCDMN COc1ccc(O[C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)nc1 ZINC001140102412 1026882226 /nfs/dbraw/zinc/88/22/26/1026882226.db2.gz QBGSAYTZZFYEQH-AWEZNQCLSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1ccc(O[C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)nc1 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1 398.688 3.642 20 10 GHCDMN COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(Br)ccc1[O-])C2 ZINC001203649762 1027505222 /nfs/dbraw/zinc/50/52/22/1027505222.db2.gz FRXCKLPULPVDQN-CYBMUJFWSA-N 0 1 392.293 3.944 20 10 GHCDMN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(Br)ccc1[O-])C2 ZINC001203649762 1027505231 /nfs/dbraw/zinc/50/52/31/1027505231.db2.gz FRXCKLPULPVDQN-CYBMUJFWSA-N 0 1 392.293 3.944 20 10 GHCDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(Br)ccc2O)C1 ZINC001203650368 1027508078 /nfs/dbraw/zinc/50/80/78/1027508078.db2.gz QIOBTBQAIOICGX-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001203658716 1027514207 /nfs/dbraw/zinc/51/42/07/1027514207.db2.gz MHKUQCRJLZTOBA-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001203658716 1027514212 /nfs/dbraw/zinc/51/42/12/1027514212.db2.gz MHKUQCRJLZTOBA-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001203659383 1027516865 /nfs/dbraw/zinc/51/68/65/1027516865.db2.gz UHMXMJYQVGNARB-SFHLNBCPSA-N 0 1 395.927 3.611 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001203659383 1027516880 /nfs/dbraw/zinc/51/68/80/1027516880.db2.gz UHMXMJYQVGNARB-SFHLNBCPSA-N 0 1 395.927 3.611 20 10 GHCDMN CSc1nc(Cl)cc(N2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203664733 1027518977 /nfs/dbraw/zinc/51/89/77/1027518977.db2.gz STTAPXNWUICFAQ-UHFFFAOYSA-N 0 1 399.347 3.923 20 10 GHCDMN CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203664733 1027518986 /nfs/dbraw/zinc/51/89/86/1027518986.db2.gz STTAPXNWUICFAQ-UHFFFAOYSA-N 0 1 399.347 3.923 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCC[C@@]12CCCN(Cc1ccc(O)c(O)c1)C2 ZINC001203874785 1027675520 /nfs/dbraw/zinc/67/55/20/1027675520.db2.gz DBBNSXYQOCPZGP-NRFANRHFSA-N 0 1 376.497 3.853 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2Cc2ccc(O)c(O)c2)C1 ZINC001203874642 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COc1cccc(O[C@@H]2CCCN(Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237125849 1042053892 /nfs/dbraw/zinc/05/38/92/1042053892.db2.gz QLDYYYRWBACSRK-CYBMUJFWSA-N 0 1 398.381 3.738 20 10 GHCDMN COc1cccc(O[C@H]2CCCN(Cc3c(O)cccc3OC(F)(F)F)C2)n1 ZINC001237125851 1042054326 /nfs/dbraw/zinc/05/43/26/1042054326.db2.gz QLDYYYRWBACSRK-ZDUSSCGKSA-N 0 1 398.381 3.738 20 10 GHCDMN Oc1ccc(C(F)(F)F)cc1CN1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001237146296 1042063760 /nfs/dbraw/zinc/06/37/60/1042063760.db2.gz SXQGQOMBXPYNAB-UHFFFAOYSA-N 0 1 387.789 3.898 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237616804 1042283223 /nfs/dbraw/zinc/28/32/23/1042283223.db2.gz HREIVQVXUHTEBO-NLWGTHIKSA-N 0 1 392.858 3.528 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001237617490 1042284257 /nfs/dbraw/zinc/28/42/57/1042284257.db2.gz AUZAKWXBCSKTCF-FXAWDEMLSA-N 0 1 392.858 3.782 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001237620780 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GHCDMN Cc1ccc(C)n1-c1ccc(-c2nnc(CCN3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC001258138570 1044425416 /nfs/dbraw/zinc/42/54/16/1044425416.db2.gz MIBVYJAYNHYAGZ-QZTJIDSGSA-N 0 1 380.492 3.796 20 10 GHCDMN CC1(C)COC2(CCC([NH2+]Cc3ccc(Br)cc3[O-])CC2)OC1 ZINC001258520601 1044597119 /nfs/dbraw/zinc/59/71/19/1044597119.db2.gz CEVNQEPYWSHDLT-UHFFFAOYSA-N 0 1 384.314 3.956 20 10 GHCDMN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001258920656 1044877359 /nfs/dbraw/zinc/87/73/59/1044877359.db2.gz FXDCCDAMXFIYPZ-UHFFFAOYSA-N 0 1 395.411 3.710 20 10 GHCDMN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(Cl)c(O)cc1Cl)C(=O)C2 ZINC001258985945 1044918955 /nfs/dbraw/zinc/91/89/55/1044918955.db2.gz PGCDVECHSTVSCQ-JDNHERCYSA-N 0 1 392.304 3.836 20 10 GHCDMN O=S(=O)(Nc1c(F)cccc1OC1CCCCC1)c1cccc2nonc21 ZINC001260442371 1045496967 /nfs/dbraw/zinc/49/69/67/1045496967.db2.gz ZKUPHVSDMWOKLB-UHFFFAOYSA-N 0 1 391.424 3.874 20 10 GHCDMN CCC(CC)(NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1nn[nH]n1 ZINC001297487716 1045538948 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GHCDMN COc1ccccc1NC(=O)c1c(C)[nH]nc1NCc1ccc(F)c(F)c1O ZINC001308978328 1050239231 /nfs/dbraw/zinc/23/92/31/1050239231.db2.gz GJCDFSFILWJNFT-UHFFFAOYSA-N 0 1 388.374 3.575 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3Cl)cc2)CC1 ZINC001310062520 1051131627 /nfs/dbraw/zinc/13/16/27/1051131627.db2.gz LDNFCKKLMMIEBJ-UHFFFAOYSA-N 0 1 376.863 3.553 20 10 GHCDMN Cc1ccc(O)c(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC001311581317 1052262810 /nfs/dbraw/zinc/26/28/10/1052262810.db2.gz CYZDXJJFDAMCIR-IBGZPJMESA-N 0 1 387.911 3.990 20 10 GHCDMN CN(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1cccc(C(F)(F)F)c1 ZINC001312552723 1052788064 /nfs/dbraw/zinc/78/80/64/1052788064.db2.gz OYIYJVTVCRFJOU-MRXNPFEDSA-N 0 1 399.388 3.652 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001313171116 1052975906 /nfs/dbraw/zinc/97/59/06/1052975906.db2.gz NWCGIVQAVKTZAM-SFHVURJKSA-N 0 1 387.911 3.900 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001313171116 1052975909 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C=COc1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC001466812616 1066330539 /nfs/dbraw/zinc/33/05/39/1066330539.db2.gz VNXTYEWCGPDXKS-UHFFFAOYSA-N 0 1 398.482 3.812 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC001467115491 1067077589 /nfs/dbraw/zinc/07/75/89/1067077589.db2.gz WRBAHEHZHQFDJV-HNNXBMFYSA-N 0 1 394.258 3.972 20 10 GHCDMN Cc1cc(O)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1Cl ZINC000849174643 1067753311 /nfs/dbraw/zinc/75/33/11/1067753311.db2.gz SKBFQWMMIBRIQI-OQLLNIDSSA-N 0 1 382.938 3.649 20 10 GHCDMN COc1ccc(N(C)CC[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC001460332510 1068929196 /nfs/dbraw/zinc/92/91/96/1068929196.db2.gz AGBCXBFMENOETJ-UHFFFAOYSA-N 0 1 376.884 3.825 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC001460332510 1068929197 /nfs/dbraw/zinc/92/91/97/1068929197.db2.gz AGBCXBFMENOETJ-UHFFFAOYSA-N 0 1 376.884 3.825 20 10 GHCDMN Cc1cc(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1N1CCCCC1 ZINC001460663689 1069068290 /nfs/dbraw/zinc/06/82/90/1069068290.db2.gz FKBYVWLIDYRDGC-IBGZPJMESA-N 0 1 383.458 3.628 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CC[C@H](C4CCCCC4)C3)cc2)CC1 ZINC001471189838 1072959626 /nfs/dbraw/zinc/95/96/26/1072959626.db2.gz CLBMPMOVGQBILK-NRFANRHFSA-N 0 1 384.568 3.550 20 10 GHCDMN Cc1ccccc1-c1cc(NCc2ccc(N3CCN(C)CC3)cc2)n(C)n1 ZINC001474063853 1074251729 /nfs/dbraw/zinc/25/17/29/1074251729.db2.gz IBMNVYNXQXRNPN-UHFFFAOYSA-N 0 1 375.520 3.759 20 10 GHCDMN COC(=O)c1[nH]c2ccccc2c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001474403436 1074388837 /nfs/dbraw/zinc/38/88/37/1074388837.db2.gz JBJZDCJNNSCPLT-QGZVFWFLSA-N 0 1 394.471 3.841 20 10 GHCDMN C[NH+](C)CCN(Cc1ccc(Br)cc1)Cc1cccc(F)c1[O-] ZINC001474498947 1074433604 /nfs/dbraw/zinc/43/36/04/1074433604.db2.gz DKJOITMKKVSWTJ-UHFFFAOYSA-N 0 1 381.289 3.858 20 10 GHCDMN CCN(CC)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC001474852847 1074593765 /nfs/dbraw/zinc/59/37/65/1074593765.db2.gz TWGFAUZZBAUFIS-UHFFFAOYSA-N 0 1 390.402 3.568 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC001656466835 1126258034 /nfs/dbraw/zinc/25/80/34/1126258034.db2.gz RFSYNZZLZAEXHH-AEFFLSMTSA-N 0 1 388.380 3.655 20 10 GHCDMN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000177924497 837403765 /nfs/dbraw/zinc/40/37/65/837403765.db2.gz JFGPUGKELNXMBL-KRWDZBQOSA-N 0 1 399.510 3.792 20 10 GHCDMN CCS[C@@H](C)c1noc(CN(C)Cc2cccc(Br)c2O)n1 ZINC000180740663 837510830 /nfs/dbraw/zinc/51/08/30/837510830.db2.gz YRAUIHIBONMOHW-JTQLQIEISA-N 0 1 386.315 3.984 20 10 GHCDMN Oc1ccccc1CN(Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H]1CCCO1 ZINC000160207139 834510208 /nfs/dbraw/zinc/51/02/08/834510208.db2.gz ANJGKUNYJTVJAC-NRFANRHFSA-N 0 1 381.451 3.898 20 10 GHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000799738119 835663132 /nfs/dbraw/zinc/66/31/32/835663132.db2.gz RADDCKLJYHTKBL-SKDRFNHKSA-N 0 1 393.119 3.917 20 10 GHCDMN CCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000892609806 837063434 /nfs/dbraw/zinc/06/34/34/837063434.db2.gz ANTVUDRIQNTEHZ-UHFFFAOYSA-N 0 1 384.398 3.824 20 10 GHCDMN CCOc1cccc2cc([C@@H](C)NCC(=O)NCc3ccc(N(C)C)cc3)oc21 ZINC000180361722 837192552 /nfs/dbraw/zinc/19/25/52/837192552.db2.gz WYDPNWBUWINARQ-MRXNPFEDSA-N 0 1 395.503 3.865 20 10 GHCDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C=Cc4ccc(O)c(O)c4)C3)[nH]c2c1 ZINC000181248457 838753234 /nfs/dbraw/zinc/75/32/34/838753234.db2.gz YYPTWUNKSLECRV-FSNWXROXSA-N 0 1 377.444 3.702 20 10 GHCDMN C[C@H](NCc1cnc(CC(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000892730684 838897144 /nfs/dbraw/zinc/89/71/44/838897144.db2.gz TUQKBFHZIGBGRX-ZDUSSCGKSA-N 0 1 385.455 3.935 20 10 GHCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000398115213 839853871 /nfs/dbraw/zinc/85/38/71/839853871.db2.gz FHXBZCCTUWZYMS-KDOFPFPSSA-N 0 1 375.310 3.907 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4c3SCCC4)cc2)CC1 ZINC001167426979 839930345 /nfs/dbraw/zinc/93/03/45/839930345.db2.gz RVIXKOUFEVVYRN-UHFFFAOYSA-N 0 1 389.956 3.532 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCC(F)(F)C2)C1 ZINC000431106186 843606989 /nfs/dbraw/zinc/60/69/89/843606989.db2.gz LWNMRBQSNGDUOG-INIZCTEOSA-N 0 1 389.490 3.959 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000277183672 845159828 /nfs/dbraw/zinc/15/98/28/845159828.db2.gz HXUIGOQYHKGIIM-OAHLLOKOSA-N 0 1 390.549 3.789 20 10 GHCDMN Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(Br)c2[O-])c1C ZINC000161540221 849100246 /nfs/dbraw/zinc/10/02/46/849100246.db2.gz GOICXRMASUVKOY-UHFFFAOYSA-N 0 1 377.282 3.842 20 10 GHCDMN COc1ccc(CN(C(=O)C=Cc2cnccn2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC000731992653 862015802 /nfs/dbraw/zinc/01/58/02/862015802.db2.gz SCYLEMUAWDRCCX-YHYXMXQVSA-N 0 1 399.454 3.917 20 10 GHCDMN CC(=O)c1csc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000435662163 850733443 /nfs/dbraw/zinc/73/34/43/850733443.db2.gz IITLVKRDGJUMAD-UHFFFAOYSA-N 0 1 396.516 3.706 20 10 GHCDMN COC(C)(C)C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435825558 850909176 /nfs/dbraw/zinc/90/91/76/850909176.db2.gz LCGBEFSIPBCADH-QGZVFWFLSA-N 0 1 385.552 3.728 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC(F)(F)F)C1 ZINC000435992759 851078435 /nfs/dbraw/zinc/07/84/35/851078435.db2.gz IAOAFVSGDUTYJK-CQSZACIVSA-N 0 1 381.442 3.865 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC[C@@H]2CCCCO2)C1 ZINC000436037523 851134233 /nfs/dbraw/zinc/13/42/33/851134233.db2.gz KFNXJJLBVCPQDH-IBGZPJMESA-N 0 1 397.563 3.873 20 10 GHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732797414 862499576 /nfs/dbraw/zinc/49/95/76/862499576.db2.gz HAZRPEOGDYWZIF-OAHLLOKOSA-N 0 1 392.377 3.887 20 10 GHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732797414 862499581 /nfs/dbraw/zinc/49/95/81/862499581.db2.gz HAZRPEOGDYWZIF-OAHLLOKOSA-N 0 1 392.377 3.887 20 10 GHCDMN CN(Cc1cc2oc3ccccc3c2cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732797414 862499586 /nfs/dbraw/zinc/49/95/86/862499586.db2.gz HAZRPEOGDYWZIF-OAHLLOKOSA-N 0 1 392.377 3.887 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000701173399 856320752 /nfs/dbraw/zinc/32/07/52/856320752.db2.gz RKGFGKMHSHUQQA-AWEZNQCLSA-N 0 1 385.302 3.548 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)c1O ZINC000761183441 858923685 /nfs/dbraw/zinc/92/36/85/858923685.db2.gz JVLXAVRGWXXVOW-UHFFFAOYSA-N 0 1 375.852 3.855 20 10 GHCDMN CC(C)Cn1cc([C@@H]2N(Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290067 859038612 /nfs/dbraw/zinc/03/86/12/859038612.db2.gz CHCQWCFXMXSZEQ-FQEVSTJZSA-N 0 1 391.462 3.877 20 10 GHCDMN COc1cc(N2CCN(C/C(C)=C\c3ccccc3)CC2)cc(OC)c1OC ZINC000761218768 859393717 /nfs/dbraw/zinc/39/37/17/859393717.db2.gz HSHHBFHDMOCLBA-JXAWBTAJSA-N 0 1 382.504 3.938 20 10 GHCDMN C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000764819806 859629963 /nfs/dbraw/zinc/62/99/63/859629963.db2.gz PEODVCAGHSNLFT-MRXNPFEDSA-N 0 1 397.910 3.608 20 10 GHCDMN CCOc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000727372472 860057948 /nfs/dbraw/zinc/05/79/48/860057948.db2.gz HCBHAPCCQRZXSI-QFIPXVFZSA-N 0 1 381.520 3.605 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)N[C@@H]3CCCC[C@H]3C)cc2F)CC1 ZINC000730157390 860901969 /nfs/dbraw/zinc/90/19/69/860901969.db2.gz RUQLXGWOYNSYRF-VQIMIIECSA-N 0 1 392.588 3.510 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)Nc3cccc(C)c3)cc2F)CC1 ZINC000730157680 860902511 /nfs/dbraw/zinc/90/25/11/860902511.db2.gz WDRDGPXOTOFJSB-UHFFFAOYSA-N 0 1 386.540 3.763 20 10 GHCDMN CCc1noc2ncc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cc12 ZINC000185621974 861086475 /nfs/dbraw/zinc/08/64/75/861086475.db2.gz NVGQOCGNOTUJNV-UHFFFAOYSA-N 0 1 375.450 3.723 20 10 GHCDMN Oc1ccccc1CN(Cc1ccc(Br)cn1)C[C@@H]1CCCO1 ZINC000172536777 863735626 /nfs/dbraw/zinc/73/56/26/863735626.db2.gz NNNSXEVMSJRFIB-KRWDZBQOSA-N 0 1 377.282 3.731 20 10 GHCDMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000896945818 864116774 /nfs/dbraw/zinc/11/67/74/864116774.db2.gz BNIPEMKRMGPQLJ-AWEZNQCLSA-N 0 1 376.403 3.530 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000103595653 881846859 /nfs/dbraw/zinc/84/68/59/881846859.db2.gz HDLWWZXGPDWJSG-CRAIPNDOSA-N 0 1 387.480 3.581 20 10 GHCDMN CN(C)c1ccc(CNCc2cnn(CC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000793018131 881877483 /nfs/dbraw/zinc/87/74/83/881877483.db2.gz VYSJZAZVXQBYHJ-UHFFFAOYSA-N 0 1 380.336 3.820 20 10 GHCDMN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710788 866746662 /nfs/dbraw/zinc/74/66/62/866746662.db2.gz IEUXCFJYQAPHGI-QGZVFWFLSA-N 0 1 395.503 3.865 20 10 GHCDMN CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710730 866746718 /nfs/dbraw/zinc/74/67/18/866746718.db2.gz HCJCJBKRVZUQRX-GOSISDBHSA-N 0 1 383.540 3.913 20 10 GHCDMN COc1cc(N2CCN(CCSc3ccccc3)CC2)cc(OC)c1OC ZINC000183700395 867301747 /nfs/dbraw/zinc/30/17/47/867301747.db2.gz UEIZFQBNGDBIPM-UHFFFAOYSA-N 0 1 388.533 3.627 20 10 GHCDMN COc1cc(N2CCN([C@H]3CCc4ccc(F)cc43)CC2)cc(OC)c1OC ZINC000183706708 867472501 /nfs/dbraw/zinc/47/25/01/867472501.db2.gz OGAGDBXCMNYVSZ-IBGZPJMESA-N 0 1 386.467 3.661 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)ccc1[N+](=O)[O-] ZINC001183045425 912214492 /nfs/dbraw/zinc/21/44/92/912214492.db2.gz JQEMEOUTNJPGSK-ZDUSSCGKSA-N 0 1 378.375 3.967 20 10 GHCDMN CCCOc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000920474236 882142907 /nfs/dbraw/zinc/14/29/07/882142907.db2.gz ZFUHPCDOMSSLTP-GHRIWEEISA-N 0 1 376.547 3.771 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000743871487 868466733 /nfs/dbraw/zinc/46/67/33/868466733.db2.gz DZJRZEGMRIRYQK-OAHLLOKOSA-N 0 1 398.272 3.556 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccccc1F ZINC000743871487 868466743 /nfs/dbraw/zinc/46/67/43/868466743.db2.gz DZJRZEGMRIRYQK-OAHLLOKOSA-N 0 1 398.272 3.556 20 10 GHCDMN CCN(CC(=O)NCc1sccc1C)Cc1cc(Br)ccc1O ZINC000744426716 868831332 /nfs/dbraw/zinc/83/13/32/868831332.db2.gz VKUWBZPWHPBDET-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN COC(=O)c1ccc(O)c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001192398264 870367274 /nfs/dbraw/zinc/36/72/74/870367274.db2.gz VKNZTWFKHXKJNC-UHFFFAOYSA-N 0 1 376.412 3.608 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000920957604 882473000 /nfs/dbraw/zinc/47/30/00/882473000.db2.gz XUTCUHGHPUOLKK-SKQDYVHHSA-N 0 1 393.443 3.528 20 10 GHCDMN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC001194187034 871544634 /nfs/dbraw/zinc/54/46/34/871544634.db2.gz BRIKKROMIWBYQM-QURGRASLSA-N 0 1 382.449 3.759 20 10 GHCDMN COc1cccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1O ZINC000093440820 882541907 /nfs/dbraw/zinc/54/19/07/882541907.db2.gz JNSJOGZWEPBFPT-UHFFFAOYSA-N 0 1 379.378 3.913 20 10 GHCDMN O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665083 872529553 /nfs/dbraw/zinc/52/95/53/872529553.db2.gz WZNDTVKNZOXVCT-UHFFFAOYSA-N 0 1 394.849 3.601 20 10 GHCDMN O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665083 872529569 /nfs/dbraw/zinc/52/95/69/872529569.db2.gz WZNDTVKNZOXVCT-UHFFFAOYSA-N 0 1 394.849 3.601 20 10 GHCDMN CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000182558211 872551644 /nfs/dbraw/zinc/55/16/44/872551644.db2.gz QOTWSFZXOXMQOC-UHFFFAOYSA-N 0 1 378.488 3.595 20 10 GHCDMN CC(C)[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000768018483 873028881 /nfs/dbraw/zinc/02/88/81/873028881.db2.gz XPOYZLHMKPMATN-UHFFFAOYSA-N 0 1 393.940 3.671 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000768249673 873189813 /nfs/dbraw/zinc/18/98/13/873189813.db2.gz ZJAKMIWPEVXGQC-CQSZACIVSA-N 0 1 385.302 3.596 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000768462984 873328500 /nfs/dbraw/zinc/32/85/00/873328500.db2.gz PRKSVTYIMNTIOX-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN CCOc1cccc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000769480304 874062060 /nfs/dbraw/zinc/06/20/60/874062060.db2.gz MRQLHZRADMZUOL-UHFFFAOYSA-N 0 1 381.375 3.753 20 10 GHCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ncc1Br ZINC000858109660 882854448 /nfs/dbraw/zinc/85/44/48/882854448.db2.gz ZFKRCIKOGZZIGS-OAHLLOKOSA-N 0 1 390.325 3.840 20 10 GHCDMN COC1CCN(C2(C[NH2+]Cc3c([O-])cccc3Br)CCCC2)CC1 ZINC000858131921 882868226 /nfs/dbraw/zinc/86/82/26/882868226.db2.gz NDYRVAMOQIUUOQ-UHFFFAOYSA-N 0 1 397.357 3.668 20 10 GHCDMN CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858138712 882874652 /nfs/dbraw/zinc/87/46/52/882874652.db2.gz IUOWBJWCFKTPAA-SFHVURJKSA-N 0 1 380.282 3.765 20 10 GHCDMN CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858140979 882876396 /nfs/dbraw/zinc/87/63/96/882876396.db2.gz MHUMCEUEMFDJRW-GOSISDBHSA-N 0 1 380.282 3.765 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)c(N2CCOCC2)c1 ZINC000858149878 882888711 /nfs/dbraw/zinc/88/87/11/882888711.db2.gz YOEGAXXBWMWBBX-UHFFFAOYSA-N 0 1 391.309 3.590 20 10 GHCDMN CN1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@@H]1c1ccc(F)cc1 ZINC001201464893 875701305 /nfs/dbraw/zinc/70/13/05/875701305.db2.gz DMTMMGGGKMUTTC-WMZOPIPTSA-N 0 1 379.273 3.829 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000107823997 876405409 /nfs/dbraw/zinc/40/54/09/876405409.db2.gz DQDBRJPIXLOYCF-KGENOOAVSA-N 0 1 388.398 3.866 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3nc(Br)cs3)C2)cc1 ZINC000850485888 876959870 /nfs/dbraw/zinc/95/98/70/876959870.db2.gz CBCJCIDTNGKFHW-VXGBXAGGSA-N 0 1 382.327 3.844 20 10 GHCDMN CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850496507 876973030 /nfs/dbraw/zinc/97/30/30/876973030.db2.gz ORXYKGDAXWUOGP-BUBHHJDNSA-N 0 1 377.350 3.763 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000850541188 877009174 /nfs/dbraw/zinc/00/91/74/877009174.db2.gz SRYGYAJZEZFVDG-DXCKQFNASA-N 0 1 378.314 3.950 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1[O-] ZINC000787287886 877295280 /nfs/dbraw/zinc/29/52/80/877295280.db2.gz BKMWZVZERXLWBM-CYBMUJFWSA-N 0 1 381.791 3.531 20 10 GHCDMN COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000093361514 912222730 /nfs/dbraw/zinc/22/27/30/912222730.db2.gz COUOVGBIRXLKKY-UHFFFAOYSA-N 0 1 386.275 3.711 20 10 GHCDMN Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179629621 877764305 /nfs/dbraw/zinc/76/43/05/877764305.db2.gz FQGVXHSHTJUMKI-UHFFFAOYSA-N 0 1 377.828 3.641 20 10 GHCDMN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179629621 877764307 /nfs/dbraw/zinc/76/43/07/877764307.db2.gz FQGVXHSHTJUMKI-UHFFFAOYSA-N 0 1 377.828 3.641 20 10 GHCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000093736998 912408437 /nfs/dbraw/zinc/40/84/37/912408437.db2.gz NEQPTYZSXOYLKC-QGZVFWFLSA-N 0 1 389.565 3.881 20 10 GHCDMN CS(=O)(=O)c1cccc([C@@H](NCc2cc(F)ccc2O)c2ccccc2)c1 ZINC000180925298 879508086 /nfs/dbraw/zinc/50/80/86/879508086.db2.gz COXDMSWZGHESRN-NRFANRHFSA-N 0 1 385.460 3.814 20 10 GHCDMN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000152861562 879827634 /nfs/dbraw/zinc/82/76/34/879827634.db2.gz QLTWREKQNCZFLX-OAQYLSRUSA-N 0 1 394.519 3.682 20 10 GHCDMN COc1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cc1C ZINC000790601321 879854207 /nfs/dbraw/zinc/85/42/07/879854207.db2.gz KPNYZNMXFROTDP-UHFFFAOYSA-N 0 1 387.423 3.716 20 10 GHCDMN COc1cccc([C@H]2CC(=O)N(CN(Cc3ccc(N(C)C)cc3)C(C)C)C2)c1 ZINC000760534231 883448199 /nfs/dbraw/zinc/44/81/99/883448199.db2.gz WRCFVHICNYCNCR-NRFANRHFSA-N 0 1 395.547 3.945 20 10 GHCDMN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1c(Cl)ccc(F)c1F ZINC000804949448 883481426 /nfs/dbraw/zinc/48/14/26/883481426.db2.gz ZDFVMABVCGNSAW-UHFFFAOYSA-N 0 1 386.851 3.697 20 10 GHCDMN O=S(=O)(/C=C\c1ccccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805135865 883615346 /nfs/dbraw/zinc/61/53/46/883615346.db2.gz YWLWRQXJHMOJSG-WAYWQWQTSA-N 0 1 376.236 3.928 20 10 GHCDMN Cc1ccc(CS(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000805135898 883616713 /nfs/dbraw/zinc/61/67/13/883616713.db2.gz VURJTHDQIRWHOG-UHFFFAOYSA-N 0 1 378.252 3.766 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c2cccc(F)c21 ZINC000805135257 883616723 /nfs/dbraw/zinc/61/67/23/883616723.db2.gz HNKCHQSYNFUPMI-UHFFFAOYSA-N 0 1 389.235 3.798 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1OC(F)F ZINC000805135549 883616898 /nfs/dbraw/zinc/61/68/98/883616898.db2.gz NVLZMJCSFYVZJD-UHFFFAOYSA-N 0 1 398.214 3.779 20 10 GHCDMN O=C(NCCOc1ccc(Cl)cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000805202716 883643587 /nfs/dbraw/zinc/64/35/87/883643587.db2.gz OLPPWUUAKPHHPJ-UHFFFAOYSA-N 0 1 390.654 3.626 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242007 912814285 /nfs/dbraw/zinc/81/42/85/912814285.db2.gz PKBRBBNAGKGFFU-CJNGLKHVSA-N 0 1 395.341 3.672 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275247787 912820640 /nfs/dbraw/zinc/82/06/40/912820640.db2.gz GUNATYJGRCAIIQ-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275247787 912820653 /nfs/dbraw/zinc/82/06/53/912820653.db2.gz GUNATYJGRCAIIQ-QGZVFWFLSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000806176055 884398532 /nfs/dbraw/zinc/39/85/32/884398532.db2.gz IJJCOPNQJLNGBI-UHFFFAOYSA-N 0 1 394.258 3.913 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275247786 912821451 /nfs/dbraw/zinc/82/14/51/912821451.db2.gz GUNATYJGRCAIIQ-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275247786 912821467 /nfs/dbraw/zinc/82/14/67/912821467.db2.gz GUNATYJGRCAIIQ-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2ccnn2)cc1 ZINC000806251073 884468932 /nfs/dbraw/zinc/46/89/32/884468932.db2.gz LKHKTEXLVBBCFD-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN Cc1ccnc(-n2nccc2NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806437220 884666830 /nfs/dbraw/zinc/66/68/30/884666830.db2.gz YARDRVXZBNSTFF-UHFFFAOYSA-N 0 1 392.246 3.910 20 10 GHCDMN Cn1cnc(-c2cccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)c2)n1 ZINC000806405067 884687561 /nfs/dbraw/zinc/68/75/61/884687561.db2.gz GCKUDSWISFQVTF-UHFFFAOYSA-N 0 1 392.246 3.816 20 10 GHCDMN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)c(Br)c1 ZINC000795805332 912851548 /nfs/dbraw/zinc/85/15/48/912851548.db2.gz HQKFEJQKQXDANK-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c(C)c1 ZINC000914851311 884961180 /nfs/dbraw/zinc/96/11/80/884961180.db2.gz BLKJMTUMGXSNQV-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN CCCOc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000914851947 884962375 /nfs/dbraw/zinc/96/23/75/884962375.db2.gz RTJUPJVUAGDWHU-UHFFFAOYSA-N 0 1 375.475 3.795 20 10 GHCDMN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000795851626 912909642 /nfs/dbraw/zinc/90/96/42/912909642.db2.gz KWJDFFDYDYRWBA-WBMJQRKESA-N 0 1 377.282 3.683 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(Br)c1 ZINC000807839900 885770688 /nfs/dbraw/zinc/77/06/88/885770688.db2.gz UGWLGVIEOWMJEO-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000807834784 885799471 /nfs/dbraw/zinc/79/94/71/885799471.db2.gz QNUXOXRTWAYFTC-ZDUSSCGKSA-N 0 1 387.288 3.644 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000807836375 885800698 /nfs/dbraw/zinc/80/06/98/885800698.db2.gz VMZRHKIXFFMYQM-UHFFFAOYSA-N 0 1 379.243 3.978 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(OCC(F)F)c1 ZINC000807837343 885802484 /nfs/dbraw/zinc/80/24/84/885802484.db2.gz MDLMAXDAWJLQDA-UHFFFAOYSA-N 0 1 377.174 3.668 20 10 GHCDMN CCCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862221367 886218687 /nfs/dbraw/zinc/21/86/87/886218687.db2.gz ZLADZSDLSUSYML-UHFFFAOYSA-N 0 1 383.330 3.673 20 10 GHCDMN COc1cc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc(OC)c1OC ZINC000862326214 886292744 /nfs/dbraw/zinc/29/27/44/886292744.db2.gz KISLANDBRYBTNM-UHFFFAOYSA-N 0 1 381.476 3.516 20 10 GHCDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000862390859 886345085 /nfs/dbraw/zinc/34/50/85/886345085.db2.gz HMMZQYUDYUSESK-UHFFFAOYSA-N 0 1 381.236 3.613 20 10 GHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000862390859 886345095 /nfs/dbraw/zinc/34/50/95/886345095.db2.gz HMMZQYUDYUSESK-UHFFFAOYSA-N 0 1 381.236 3.613 20 10 GHCDMN Cc1cc(Cl)cc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1O ZINC000808712027 886695440 /nfs/dbraw/zinc/69/54/40/886695440.db2.gz ZJBFAZZPRCLSOU-AUUYWEPGSA-N 0 1 387.911 3.977 20 10 GHCDMN CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808761260 886737365 /nfs/dbraw/zinc/73/73/65/886737365.db2.gz KDZLNSZUXCCCKW-QFIPXVFZSA-N 0 1 383.536 3.803 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc([S@](=O)C(F)(F)F)cc3)cc2)CC1 ZINC000864007830 887516300 /nfs/dbraw/zinc/51/63/00/887516300.db2.gz VZOLEZQVJZOCIB-MHZLTWQESA-N 0 1 397.466 3.678 20 10 GHCDMN C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000809961174 888028830 /nfs/dbraw/zinc/02/88/30/888028830.db2.gz OUDOAFGDNKFVMP-UHFFFAOYSA-N 0 1 398.200 3.537 20 10 GHCDMN CN(Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000809961174 888028842 /nfs/dbraw/zinc/02/88/42/888028842.db2.gz OUDOAFGDNKFVMP-UHFFFAOYSA-N 0 1 398.200 3.537 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000810059693 888107995 /nfs/dbraw/zinc/10/79/95/888107995.db2.gz XYUDPMRDEOPHOS-RTBURBONSA-N 0 1 376.859 3.922 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227230 888302730 /nfs/dbraw/zinc/30/27/30/888302730.db2.gz USYBMEHNHGCMOT-NFAWXSAZSA-N 0 1 379.444 3.808 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866436011 888876183 /nfs/dbraw/zinc/87/61/83/888876183.db2.gz IUCNMRBFTUYRDM-DGCLKSJQSA-N 0 1 393.207 3.591 20 10 GHCDMN C[C@@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000866440031 888878813 /nfs/dbraw/zinc/87/88/13/888878813.db2.gz COLVZDDGOSGRAD-OAHLLOKOSA-N 0 1 387.503 3.679 20 10 GHCDMN COc1ccc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)cc1F ZINC000122070179 889361066 /nfs/dbraw/zinc/36/10/66/889361066.db2.gz PLGJBFMYISEGLD-UHFFFAOYSA-N 0 1 396.466 3.639 20 10 GHCDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000811455339 889614083 /nfs/dbraw/zinc/61/40/83/889614083.db2.gz BVKCIMZQSYBBFI-UHFFFAOYSA-N 0 1 385.464 3.858 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000154222811 890415792 /nfs/dbraw/zinc/41/57/92/890415792.db2.gz TZDQXSXAGSPTRC-FQEVSTJZSA-N 0 1 382.508 3.538 20 10 GHCDMN COCCOCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000812575482 890765065 /nfs/dbraw/zinc/76/50/65/890765065.db2.gz FQMJGHZLBJVRKH-UHFFFAOYSA-N 0 1 384.259 3.792 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2cccc3ccccc32)cc1 ZINC000917062055 890886526 /nfs/dbraw/zinc/88/65/26/890886526.db2.gz OKPAZGDQYSHYBV-UHFFFAOYSA-N 0 1 375.516 3.996 20 10 GHCDMN CC(C)[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(N(C)C)cc1 ZINC000917075194 890972792 /nfs/dbraw/zinc/97/27/92/890972792.db2.gz SDBIUXICDKHFRI-UHFFFAOYSA-N 0 1 378.520 3.600 20 10 GHCDMN CC(C)N(CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(N(C)C)cc1 ZINC000917075194 890972796 /nfs/dbraw/zinc/97/27/96/890972796.db2.gz SDBIUXICDKHFRI-UHFFFAOYSA-N 0 1 378.520 3.600 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)cc1 ZINC000917075095 890973206 /nfs/dbraw/zinc/97/32/06/890973206.db2.gz PVXYLHZIJWVEOJ-UHFFFAOYSA-N 0 1 377.532 3.565 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)NCC2(c3ccccc3)CC2)C2CC2)cc1 ZINC000917075095 890973215 /nfs/dbraw/zinc/97/32/15/890973215.db2.gz PVXYLHZIJWVEOJ-UHFFFAOYSA-N 0 1 377.532 3.565 20 10 GHCDMN CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(N(C)C)cc1 ZINC000917075479 890974201 /nfs/dbraw/zinc/97/42/01/890974201.db2.gz WTKCWXIPHUKOGA-UHFFFAOYSA-N 0 1 396.579 3.688 20 10 GHCDMN COc1ccc2c(c1)OCC[C@H]2NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873061059 891449505 /nfs/dbraw/zinc/44/95/05/891449505.db2.gz FQDPZYZTHXWPQS-HXUWFJFHSA-N 0 1 379.460 3.562 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1nnn(C2CC2)c1C(F)(F)F ZINC000813685597 891875577 /nfs/dbraw/zinc/87/55/77/891875577.db2.gz LUOWQWLXGFAICW-UHFFFAOYSA-N 0 1 395.168 3.574 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)C2CC2)cc1 ZINC000918057261 893069474 /nfs/dbraw/zinc/06/94/74/893069474.db2.gz IAHQGKRMSXWNRZ-JOCHJYFZSA-N 0 1 398.526 3.869 20 10 GHCDMN CN(C)c1ccc(CNCc2c(Cl)cccc2N2CCOCC2)cc1F ZINC000815123255 893459564 /nfs/dbraw/zinc/45/95/64/893459564.db2.gz YUYDKEYIQILFKV-UHFFFAOYSA-N 0 1 377.891 3.672 20 10 GHCDMN CC(C)(C)OC(=O)c1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877698013 893770923 /nfs/dbraw/zinc/77/09/23/893770923.db2.gz FIQMWORAYNYUFH-UHFFFAOYSA-N 0 1 396.531 3.893 20 10 GHCDMN C[C@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)cc(F)c1O ZINC000815657818 894073252 /nfs/dbraw/zinc/07/32/52/894073252.db2.gz JUNMOGCKBGSELZ-NSHDSACASA-N 0 1 391.244 3.725 20 10 GHCDMN O=C(c1ccccc1F)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484590 894853552 /nfs/dbraw/zinc/85/35/52/894853552.db2.gz IFOJNZUJVPWPFX-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN COCCOc1ccccc1N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816516866 894893954 /nfs/dbraw/zinc/89/39/54/894893954.db2.gz UFSFBEWLDROTHT-UHFFFAOYSA-N 0 1 394.874 3.532 20 10 GHCDMN COc1ccc([C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])N(C)C)cc1OC ZINC000816529618 894896769 /nfs/dbraw/zinc/89/67/69/894896769.db2.gz ZUPYNOVDDBFBKL-FQEVSTJZSA-N 0 1 380.488 3.955 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)ccc2ccccc12 ZINC000816592878 894937097 /nfs/dbraw/zinc/93/70/97/894937097.db2.gz XEZJBYJLQRDDCO-CQSZACIVSA-N 0 1 375.390 3.904 20 10 GHCDMN COc1cc(C[C@H](CO)C[NH2+]Cc2ccc3ccccc3c2[O-])cc(OC)c1 ZINC000816555923 894941326 /nfs/dbraw/zinc/94/13/26/894941326.db2.gz ULOBULDTSCODQS-KRWDZBQOSA-N 0 1 381.472 3.503 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(CCC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816562814 894946064 /nfs/dbraw/zinc/94/60/64/894946064.db2.gz ZTRHEWAYONIUQW-UHFFFAOYSA-N 0 1 399.535 3.578 20 10 GHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc([O-])c3Br)C2)cc1 ZINC000818219259 896085465 /nfs/dbraw/zinc/08/54/65/896085465.db2.gz AYVXRXOOYJHPQP-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN CCOCc1cc(CNCC(=O)Nc2ccc(C)cc2Cl)ccc1OC ZINC000822490065 898372289 /nfs/dbraw/zinc/37/22/89/898372289.db2.gz ORTUXOLHVHBBGF-UHFFFAOYSA-N 0 1 376.884 3.922 20 10 GHCDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000774973307 914312252 /nfs/dbraw/zinc/31/22/52/914312252.db2.gz VLNWBZVFNFPLGB-GOSISDBHSA-N 0 1 383.536 3.849 20 10 GHCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000824583692 899724114 /nfs/dbraw/zinc/72/41/14/899724114.db2.gz OUIQZBXDHKKKDI-CQSZACIVSA-N 0 1 393.119 3.776 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824809302 899820170 /nfs/dbraw/zinc/82/01/70/899820170.db2.gz SVKDBVAOPDQBIL-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824809302 899820175 /nfs/dbraw/zinc/82/01/75/899820175.db2.gz SVKDBVAOPDQBIL-DOMZBBRYSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000825129792 899996853 /nfs/dbraw/zinc/99/68/53/899996853.db2.gz FGCGQJPSCMKNFZ-HXUWFJFHSA-N 0 1 395.330 3.827 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4c(c3)COC4)CC2)cc1 ZINC001137031000 900144002 /nfs/dbraw/zinc/14/40/02/900144002.db2.gz XAGLYPHVKHIVHE-UHFFFAOYSA-N 0 1 378.394 3.938 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CNCc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000886325378 900935806 /nfs/dbraw/zinc/93/58/06/900935806.db2.gz DBFZTBVNEHXQGI-UHFFFAOYSA-N 0 1 389.499 3.938 20 10 GHCDMN CCn1cc(C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C(C)C)cn1 ZINC000844739655 901255210 /nfs/dbraw/zinc/25/52/10/901255210.db2.gz VCLRJLSJUCGHEL-UHFFFAOYSA-N 0 1 393.487 3.956 20 10 GHCDMN Oc1cc2c(cc1O)CN(Cc1cc(Br)c(F)cc1O)CCC2 ZINC001144308370 901700587 /nfs/dbraw/zinc/70/05/87/901700587.db2.gz WXOPJVHIQGENRC-UHFFFAOYSA-N 0 1 382.229 3.653 20 10 GHCDMN Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)n1 ZINC001144308848 901706193 /nfs/dbraw/zinc/70/61/93/901706193.db2.gz ZTDAPSZFOQHDGH-ZDUSSCGKSA-N 0 1 381.245 3.651 20 10 GHCDMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845971193 902552614 /nfs/dbraw/zinc/55/26/14/902552614.db2.gz IELDRXMXBDBTTF-OAHLLOKOSA-N 0 1 395.459 3.614 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000845998111 902579617 /nfs/dbraw/zinc/57/96/17/902579617.db2.gz KSWVNNZBXKFTDC-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN C[C@H](c1ccccc1Cl)[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846238591 902812931 /nfs/dbraw/zinc/81/29/31/902812931.db2.gz MOHWKKNJCACNJA-LLVKDONJSA-N 0 1 386.839 3.512 20 10 GHCDMN C[C@H](c1ccccc1Cl)[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846238591 902812940 /nfs/dbraw/zinc/81/29/40/902812940.db2.gz MOHWKKNJCACNJA-LLVKDONJSA-N 0 1 386.839 3.512 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1)cc2=O ZINC000846258394 902832245 /nfs/dbraw/zinc/83/22/45/902832245.db2.gz HKTAFRWTTCQPMX-LZNQSLFOSA-N 0 1 398.488 3.653 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1)cc2=O ZINC000846258383 902832536 /nfs/dbraw/zinc/83/25/36/902832536.db2.gz HKTAFRWTTCQPMX-KIUWMYQTSA-N 0 1 398.488 3.653 20 10 GHCDMN C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1[O-] ZINC000779083030 904038645 /nfs/dbraw/zinc/03/86/45/904038645.db2.gz SOPNDKBFPRCNEK-LBPRGKRZSA-N 0 1 375.266 3.977 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773256369 904619242 /nfs/dbraw/zinc/61/92/42/904619242.db2.gz BWWKFVHFOAABRW-ZWKOTPCHSA-N 0 1 395.499 3.967 20 10 GHCDMN CCCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1O ZINC000801596769 921176074 /nfs/dbraw/zinc/17/60/74/921176074.db2.gz OEQGJWCENVFWHF-UHFFFAOYSA-N 0 1 392.521 3.572 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1[O-] ZINC000185291028 907748065 /nfs/dbraw/zinc/74/80/65/907748065.db2.gz JAOAIZPTRAMNLU-SNVBAGLBSA-N 0 1 381.236 3.832 20 10 GHCDMN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186376937 907915126 /nfs/dbraw/zinc/91/51/26/907915126.db2.gz BYDDPIVEQGBZOY-MRXNPFEDSA-N 0 1 390.549 3.646 20 10 GHCDMN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000186372499 907915209 /nfs/dbraw/zinc/91/52/09/907915209.db2.gz NQMMYONHHZVECH-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cc(-c4ccccn4)n[nH]3)cc2F)C[C@H](C)O1 ZINC001177334346 908530323 /nfs/dbraw/zinc/53/03/23/908530323.db2.gz PBWPJLILWCCCEW-HOTGVXAUSA-N 0 1 395.482 3.514 20 10 GHCDMN C[C@H](c1ccccc1)n1ccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001178139047 908903852 /nfs/dbraw/zinc/90/38/52/908903852.db2.gz KLQBIGZFDMKXKC-LJQANCHMSA-N 0 1 375.520 3.856 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC001178972365 909339555 /nfs/dbraw/zinc/33/95/55/909339555.db2.gz SEUXLHLQVUHPHA-LBPRGKRZSA-N 0 1 384.345 3.606 20 10 GHCDMN O=C(OCc1ccccc1)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001179410653 909529760 /nfs/dbraw/zinc/52/97/60/909529760.db2.gz DDAWEWBTKHNEOC-SHTZXODSSA-N 0 1 390.277 3.766 20 10 GHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269057637 910122571 /nfs/dbraw/zinc/12/25/71/910122571.db2.gz WYUOZWXARATTMD-GFCCVEGCSA-N 0 1 386.439 3.739 20 10 GHCDMN Cc1ncsc1CCOC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000774051691 911286805 /nfs/dbraw/zinc/28/68/05/911286805.db2.gz DXACVBLOZXRADW-UHFFFAOYSA-N 0 1 397.544 3.959 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCC[C@H]2CCCO2)C1 ZINC000774208026 911493385 /nfs/dbraw/zinc/49/33/85/911493385.db2.gz ZKHILNFSDGUGRZ-GOSISDBHSA-N 0 1 384.520 3.910 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCO[C@H](C)C2)C1 ZINC000774178873 911498644 /nfs/dbraw/zinc/49/86/44/911498644.db2.gz IJWSBTAEMFMYNM-MSOLQXFVSA-N 0 1 384.520 3.766 20 10 GHCDMN COc1ccc(N(C)CCN(C)Cc2ccc(C(F)(F)F)nc2N(C)C)cc1 ZINC001182726572 912012169 /nfs/dbraw/zinc/01/21/69/912012169.db2.gz VLNSWBLIYGSCHD-UHFFFAOYSA-N 0 1 396.457 3.743 20 10 GHCDMN Cc1c(C)c(NS(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)ccc1O ZINC001188242223 915819453 /nfs/dbraw/zinc/81/94/53/915819453.db2.gz KEPOIIYKFMNNNO-UHFFFAOYSA-N 0 1 380.775 3.877 20 10 GHCDMN COc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188747721 916176705 /nfs/dbraw/zinc/17/67/05/916176705.db2.gz YJEMSSVETDIDAQ-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293810277 916397451 /nfs/dbraw/zinc/39/74/51/916397451.db2.gz DZSSBOCQCLIRLA-UHFFFAOYSA-N 0 1 397.903 3.654 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cn3cc(Br)ccc3n2)c1 ZINC000775375195 917265212 /nfs/dbraw/zinc/26/52/12/917265212.db2.gz JWHWIUKJYHYQHO-NSHDSACASA-N 0 1 376.254 3.662 20 10 GHCDMN CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487331 918256243 /nfs/dbraw/zinc/25/62/43/918256243.db2.gz AOLCVAQWOHINQY-SJKOYZFVSA-N 0 1 382.913 3.756 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cc(Br)ccc1[O-] ZINC000775492145 918278038 /nfs/dbraw/zinc/27/80/38/918278038.db2.gz MMYSUGAYHVHVED-GDBMZVCRSA-N 0 1 376.298 3.851 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775491636 918312358 /nfs/dbraw/zinc/31/23/58/918312358.db2.gz GJVHWHVITNKMMV-MRXNPFEDSA-N 0 1 382.913 3.537 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1[O-] ZINC000775510267 918443809 /nfs/dbraw/zinc/44/38/09/918443809.db2.gz ZDJYNFRZVLBYJP-YYWHXJBOSA-N 0 1 388.939 3.969 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892815 919285694 /nfs/dbraw/zinc/28/56/94/919285694.db2.gz LHJNRRKVCAJPNP-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892815 919285708 /nfs/dbraw/zinc/28/57/08/919285708.db2.gz LHJNRRKVCAJPNP-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000800709365 920382399 /nfs/dbraw/zinc/38/23/99/920382399.db2.gz DHDFCZDXSSBCIN-SFHVURJKSA-N 0 1 394.519 3.846 20 10 GHCDMN CO[C@@H](C)c1nsc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000800850260 920526977 /nfs/dbraw/zinc/52/69/77/920526977.db2.gz QNRAJLBFVDLVMM-SMDDNHRTSA-N 0 1 382.917 3.681 20 10 GHCDMN CCCn1cc([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000902787034 922498147 /nfs/dbraw/zinc/49/81/47/922498147.db2.gz VTPYUUADRMUYNN-AWEZNQCLSA-N 0 1 379.455 3.609 20 10 GHCDMN COCC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCCC1 ZINC001276058448 925002006 /nfs/dbraw/zinc/00/20/06/925002006.db2.gz CNKVMZOOJKXCPY-UHFFFAOYSA-N 0 1 397.563 3.731 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310509 925244530 /nfs/dbraw/zinc/24/45/30/925244530.db2.gz OUWIVBGXFAMCID-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310509 925244537 /nfs/dbraw/zinc/24/45/37/925244537.db2.gz OUWIVBGXFAMCID-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310509 925244543 /nfs/dbraw/zinc/24/45/43/925244543.db2.gz OUWIVBGXFAMCID-ZLHKHBAESA-N 0 1 385.895 3.543 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000725848538 926466329 /nfs/dbraw/zinc/46/63/29/926466329.db2.gz WDNPNYQLYNPRDE-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043724 927402496 /nfs/dbraw/zinc/40/24/96/927402496.db2.gz XFRLGVMVEATRFG-AWEZNQCLSA-N 0 1 396.915 3.937 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043724 927402503 /nfs/dbraw/zinc/40/25/03/927402503.db2.gz XFRLGVMVEATRFG-AWEZNQCLSA-N 0 1 396.915 3.937 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000750823889 927875968 /nfs/dbraw/zinc/87/59/68/927875968.db2.gz YDNIMCFQEJQXBD-HNNXBMFYSA-N 0 1 394.487 3.813 20 10 GHCDMN Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752625751 928935186 /nfs/dbraw/zinc/93/51/86/928935186.db2.gz JQJOHLZWMLFQDE-OAHLLOKOSA-N 0 1 394.302 3.797 20 10 GHCDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800268 929804562 /nfs/dbraw/zinc/80/45/62/929804562.db2.gz YQENKOAWAZAGAM-HTAPYJJXSA-N 0 1 396.535 3.540 20 10 GHCDMN CC[C@@H]1C[C@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000782015117 931061800 /nfs/dbraw/zinc/06/18/00/931061800.db2.gz RRECNELKXXVCAB-AYOQOUSVSA-N 0 1 394.943 3.722 20 10 GHCDMN Oc1ccccc1CN(Cc1cncn1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000782513039 931248362 /nfs/dbraw/zinc/24/83/62/931248362.db2.gz NIHAQFIYIQNZOQ-QFIPXVFZSA-N 0 1 377.488 3.818 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnn1CC1CCC1 ZINC000924761487 931527935 /nfs/dbraw/zinc/52/79/35/931527935.db2.gz VQRABCKTFSAUKB-MRXNPFEDSA-N 0 1 386.515 3.634 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](c3ncc[nH]3)C3CCCCC3)cc2)C1 ZINC000796703384 932035479 /nfs/dbraw/zinc/03/54/79/932035479.db2.gz TYAIOJSRBFMBCJ-CTNGQTDRSA-N 0 1 395.551 3.523 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(Br)cc1[O-] ZINC000797131107 932196220 /nfs/dbraw/zinc/19/62/20/932196220.db2.gz FGLIRQHCUXKLRA-YTEVENLXSA-N 0 1 382.323 3.884 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C2CCC2)c1 ZINC000926559648 932228314 /nfs/dbraw/zinc/22/83/14/932228314.db2.gz OCKBZRWRYFKKLC-AWEZNQCLSA-N 0 1 376.451 3.574 20 10 GHCDMN CC[C@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001124584820 935420392 /nfs/dbraw/zinc/42/03/92/935420392.db2.gz FUFQJFCIJKEOKS-MXVIHJGJSA-N 0 1 387.568 3.540 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828415326 935628715 /nfs/dbraw/zinc/62/87/15/935628715.db2.gz KZRBXJQIGDFIQM-YWZLYKJASA-N 0 1 395.482 3.591 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137833065 935812904 /nfs/dbraw/zinc/81/29/04/935812904.db2.gz RCSPBFKDYYVTQO-FXAWDEMLSA-N 0 1 382.451 3.702 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001137836085 935815187 /nfs/dbraw/zinc/81/51/87/935815187.db2.gz VEGXJKWJKCWIQZ-VGOFRKELSA-N 0 1 386.467 3.514 20 10 GHCDMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001138047730 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O=C(c1ccccc1F)C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140287257 1021320150 /nfs/dbraw/zinc/32/01/50/1021320150.db2.gz LKJKWVSVRPAZNN-UHFFFAOYSA-N 0 1 396.506 3.882 20 10 GHCDMN CCCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000801594521 1021419708 /nfs/dbraw/zinc/41/97/08/1021419708.db2.gz DHKDAHMNPFYHCA-GOSISDBHSA-N 0 1 391.309 3.983 20 10 GHCDMN C[C@@H]1C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2nccn21 ZINC000834737481 1021422783 /nfs/dbraw/zinc/42/27/83/1021422783.db2.gz TWTCCEXBFXALAY-ATZDWAIDSA-N 0 1 399.539 3.811 20 10 GHCDMN CC(C)(C)OC(=O)N1CCOC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1 ZINC001140337949 1021441796 /nfs/dbraw/zinc/44/17/96/1021441796.db2.gz OGVHUEZPXSYVNH-UHFFFAOYSA-N 0 1 396.915 3.648 20 10 GHCDMN O=C1CC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)N1Cc1ccncc1 ZINC001140338347 1021443739 /nfs/dbraw/zinc/44/37/39/1021443739.db2.gz GKRLFNYJIPHIPI-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)N1Cc1ccncc1 ZINC001140338347 1021443749 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DTDAZNYFSAXUST-RTWAWAEBSA-N 0 1 386.923 3.563 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001140466203 1021760817 /nfs/dbraw/zinc/76/08/17/1021760817.db2.gz AYSUCTHPHUKNHC-UHFFFAOYSA-N 0 1 386.805 3.567 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001140466203 1021760839 /nfs/dbraw/zinc/76/08/39/1021760839.db2.gz AYSUCTHPHUKNHC-UHFFFAOYSA-N 0 1 386.805 3.567 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140465708 1021761385 /nfs/dbraw/zinc/76/13/85/1021761385.db2.gz RSTJFICKCFQOAH-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140465708 1021761396 /nfs/dbraw/zinc/76/13/96/1021761396.db2.gz RSTJFICKCFQOAH-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN Oc1ccc([C@H]2CN(Cc3cc[nH]c3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001140707793 1022330224 /nfs/dbraw/zinc/33/02/24/1022330224.db2.gz BXHLJRZKHQCJRD-GOSISDBHSA-N 0 1 384.863 3.975 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(Cl)c1 ZINC001140926621 1022903348 /nfs/dbraw/zinc/90/33/48/1022903348.db2.gz PEGFMGBMWKJDFX-IBGZPJMESA-N 0 1 387.911 3.548 20 10 GHCDMN CC[N@@H+](Cc1c(O)cc(OC)cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141028401 1023275739 /nfs/dbraw/zinc/27/57/39/1023275739.db2.gz NEUGNLBHLMRGKR-UHFFFAOYSA-N 0 1 394.512 3.631 20 10 GHCDMN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141028401 1023275751 /nfs/dbraw/zinc/27/57/51/1023275751.db2.gz NEUGNLBHLMRGKR-UHFFFAOYSA-N 0 1 394.512 3.631 20 10 GHCDMN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001141028401 1023275758 /nfs/dbraw/zinc/27/57/58/1023275758.db2.gz NEUGNLBHLMRGKR-UHFFFAOYSA-N 0 1 394.512 3.631 20 10 GHCDMN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756366086 1023609468 /nfs/dbraw/zinc/60/94/68/1023609468.db2.gz DUCNBBRIHINJJA-MGPQQGTHSA-N 0 1 385.346 3.693 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc(-c4ccccc4)n3)cc2)CC1 ZINC001156656701 1033159243 /nfs/dbraw/zinc/15/92/43/1033159243.db2.gz YTZQPCHRSQWSRV-UHFFFAOYSA-N 0 1 394.910 3.556 20 10 GHCDMN COc1cc(NCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc(OC)c1 ZINC000756770343 1023808009 /nfs/dbraw/zinc/80/80/09/1023808009.db2.gz TYOZIMFUQWINEC-LBPRGKRZSA-N 0 1 395.297 3.935 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001138126974 1024173588 /nfs/dbraw/zinc/17/35/88/1024173588.db2.gz OKNOSUNNRAGDDK-IRLDBZIGSA-N 0 1 386.467 3.514 20 10 GHCDMN CO[C@@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000831544045 1024630551 /nfs/dbraw/zinc/63/05/51/1024630551.db2.gz SFMQKGQVRGRMFG-HNNXBMFYSA-N 0 1 390.288 3.506 20 10 GHCDMN CN1CCCc2cc(CN3CCN(c4ncccc4C(F)(F)F)CC3)ccc21 ZINC001138354752 1024717002 /nfs/dbraw/zinc/71/70/02/1024717002.db2.gz SPJDFAMWYYZVPE-UHFFFAOYSA-N 0 1 390.453 3.805 20 10 GHCDMN CN1CCCc2cc(CN3CCO[C@]4(CCCN(c5ccccc5)C4)C3)ccc21 ZINC001138355106 1024718030 /nfs/dbraw/zinc/71/80/30/1024718030.db2.gz HEUWUGRYUALGMS-RUZDIDTESA-N 0 1 391.559 3.940 20 10 GHCDMN CN1CCCc2cc(CN3CCC(c4cccc(S(C)(=O)=O)c4)CC3)ccc21 ZINC001138359379 1024722847 /nfs/dbraw/zinc/72/28/47/1024722847.db2.gz SRQMRCWQWLMIRJ-UHFFFAOYSA-N 0 1 398.572 3.852 20 10 GHCDMN CCOC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367749 1024741179 /nfs/dbraw/zinc/74/11/79/1024741179.db2.gz ORHZURUFTPMEIF-UHFFFAOYSA-N 0 1 376.678 3.583 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001141374256 1024767589 /nfs/dbraw/zinc/76/75/89/1024767589.db2.gz DBKPHTWIWJFVDO-ZDUSSCGKSA-N 0 1 398.688 3.642 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3cc(C)ncn3)C2)c(OC)c1 ZINC001138392409 1024768726 /nfs/dbraw/zinc/76/87/26/1024768726.db2.gz WHPLZMIBVNEUFH-HXUWFJFHSA-N 0 1 384.524 3.683 20 10 GHCDMN C[C@@]1(c2ccc(Cl)cc2)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138499178 1024932295 /nfs/dbraw/zinc/93/22/95/1024932295.db2.gz BHFZVRPSXXQLBA-QFIPXVFZSA-N 0 1 386.923 3.924 20 10 GHCDMN CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000839092290 1025589972 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CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1cc(Cl)cc(F)c1O ZINC000848929437 1057429467 /nfs/dbraw/zinc/42/94/67/1057429467.db2.gz WWZOVMIQJSQRKZ-INIZCTEOSA-N 0 1 380.847 3.622 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001450720592 1060666492 /nfs/dbraw/zinc/66/64/92/1060666492.db2.gz BAGGUVGXQBJXNQ-LLVKDONJSA-N 0 1 397.233 3.507 20 10 GHCDMN Cc1cc(CCNC(=O)c2ccc(CN(C)C)nc2)c(C)n1-c1ccccc1 ZINC001454475222 1061797552 /nfs/dbraw/zinc/79/75/52/1061797552.db2.gz NKRWYDAGJGWKBM-UHFFFAOYSA-N 0 1 376.504 3.523 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4c(cccc4F)o3)CC2)cc1 ZINC001458068962 1063542016 /nfs/dbraw/zinc/54/20/16/1063542016.db2.gz JFUFJGDJSJPZNX-UHFFFAOYSA-N 0 1 384.455 3.600 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001459678242 1064165688 /nfs/dbraw/zinc/16/56/88/1064165688.db2.gz WVFNMXSWFCZRTD-ZJSXRUAMSA-N 0 1 377.532 3.770 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2cncn2)cc1 ZINC001357714487 1067242030 /nfs/dbraw/zinc/24/20/30/1067242030.db2.gz GYFRCLAXXKZCML-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cccs1 ZINC001467582297 1067371116 /nfs/dbraw/zinc/37/11/16/1067371116.db2.gz KDXRODMIUGKDGD-LJQANCHMSA-N 0 1 386.565 3.793 20 10 GHCDMN CO[C@@H](C)CN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)C ZINC001360745210 1068615819 /nfs/dbraw/zinc/61/58/19/1068615819.db2.gz AWEMMKDYJUUNKU-SFHVURJKSA-N 0 1 385.552 3.680 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)N[C@H](c2ccccc2)C2CC2)C2CC2)cc1 ZINC001473115655 1073788157 /nfs/dbraw/zinc/78/81/57/1073788157.db2.gz RLTDBTOJCIKUQM-XMMPIXPASA-N 0 1 377.532 3.985 20 10 GHCDMN CN(C)c1ccnc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC001479335164 1079183366 /nfs/dbraw/zinc/18/33/66/1079183366.db2.gz MZJCPAYSYQBTLI-UHFFFAOYSA-N 0 1 382.508 3.898 20 10 GHCDMN COc1ccc(CNCc2cccc(OC3CC3)c2F)cc1Cn1cccn1 ZINC001474203775 1074292934 /nfs/dbraw/zinc/29/29/34/1074292934.db2.gz UYOKNWPKSOJEPN-UHFFFAOYSA-N 0 1 381.451 3.910 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474313613 1074336478 /nfs/dbraw/zinc/33/64/78/1074336478.db2.gz CVKNYLNKCJMLJS-CYBMUJFWSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474313613 1074336484 /nfs/dbraw/zinc/33/64/84/1074336484.db2.gz CVKNYLNKCJMLJS-CYBMUJFWSA-N 0 1 378.822 3.668 20 10 GHCDMN COC1CCC([N@@H+](C)CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)CC1 ZINC000831532030 601594994 /nfs/dbraw/zinc/59/49/94/601594994.db2.gz FSCMRSGDZWRPQH-UHFFFAOYSA-N 0 1 398.503 3.864 20 10 GHCDMN C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833694444 604627710 /nfs/dbraw/zinc/62/77/10/604627710.db2.gz RJGXKRPRBJWDGP-MRXNPFEDSA-N 0 1 384.215 3.685 20 10 GHCDMN CCc1nc(C2([NH2+]Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCCC2)no1 ZINC000833674695 605041506 /nfs/dbraw/zinc/04/15/06/605041506.db2.gz UZLGKGCZQUKDNA-UHFFFAOYSA-N 0 1 381.432 3.748 20 10 GHCDMN Cc1cc(C(=O)NCc2cn[nH]c2C)c(C)n1-c1ccc(Br)cc1 ZINC000728190590 835077934 /nfs/dbraw/zinc/07/79/34/835077934.db2.gz KDIFCPRIPKNCEB-UHFFFAOYSA-N 0 1 387.281 3.818 20 10 GHCDMN Cc1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCO4)n2)c(C)o1 ZINC000120766682 836303770 /nfs/dbraw/zinc/30/37/70/836303770.db2.gz XOKKVSYMHODOSS-UHFFFAOYSA-N 0 1 376.459 3.756 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C(F)F)CC2)C1 ZINC000471270527 836666346 /nfs/dbraw/zinc/66/63/46/836666346.db2.gz PZZWABNXYQMSOV-UHFFFAOYSA-N 0 1 375.463 3.569 20 10 GHCDMN NC(=O)CC[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000066080665 836743734 /nfs/dbraw/zinc/74/37/34/836743734.db2.gz UAYZCURVVPQQSZ-CYBMUJFWSA-N 0 1 391.309 3.785 20 10 GHCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000066080665 836743742 /nfs/dbraw/zinc/74/37/42/836743742.db2.gz UAYZCURVVPQQSZ-CYBMUJFWSA-N 0 1 391.309 3.785 20 10 GHCDMN CCn1ccc(CN(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000683453207 837378671 /nfs/dbraw/zinc/37/86/71/837378671.db2.gz GVPPUFWGMRJIAV-UHFFFAOYSA-N 0 1 392.547 3.888 20 10 GHCDMN Cc1ccc2c(ccnc2NCc2ccc(N3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC001167426191 839928063 /nfs/dbraw/zinc/92/80/63/839928063.db2.gz ASFBWENKUUQPQO-UHFFFAOYSA-N 0 1 391.475 3.815 20 10 GHCDMN COc1cc(N2CCN(Cc3ccccc3SC)CC2)cc(OC)c1OC ZINC000759887746 840350007 /nfs/dbraw/zinc/35/00/07/840350007.db2.gz WXWFRAAOFXMPBJ-UHFFFAOYSA-N 0 1 388.533 3.757 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C3(CC)CCCCC3)cc2F)CC1 ZINC001125907838 840961381 /nfs/dbraw/zinc/96/13/81/840961381.db2.gz LUIBQTFHKXPUHO-UHFFFAOYSA-N 0 1 375.532 3.944 20 10 GHCDMN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001125975987 841012993 /nfs/dbraw/zinc/01/29/93/841012993.db2.gz GQCATFYIEPRZAC-RTBURBONSA-N 0 1 375.532 3.800 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000053534599 841709581 /nfs/dbraw/zinc/70/95/81/841709581.db2.gz JWRZIWUWMAWTMR-HXUWFJFHSA-N 0 1 384.524 3.714 20 10 GHCDMN COc1cccc([C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N(C)C)c1 ZINC000107911205 843257244 /nfs/dbraw/zinc/25/72/44/843257244.db2.gz RSGXYFSOYQKYAF-NRFANRHFSA-N 0 1 392.503 3.530 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000758526457 847114689 /nfs/dbraw/zinc/11/46/89/847114689.db2.gz SKALCFNZTXNPDB-CYBMUJFWSA-N 0 1 384.701 3.749 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000273379260 847322033 /nfs/dbraw/zinc/32/20/33/847322033.db2.gz HUTCCBLWLGRZPH-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1[O-] ZINC000273391943 847325589 /nfs/dbraw/zinc/32/55/89/847325589.db2.gz KZIKNGSUNKLDGB-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(Br)ccc1[O-] ZINC000273575718 847375691 /nfs/dbraw/zinc/37/56/91/847375691.db2.gz LTQVXZVZTUMWKQ-LBPRGKRZSA-N 0 1 389.293 3.898 20 10 GHCDMN Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000910067861 850985606 /nfs/dbraw/zinc/98/56/06/850985606.db2.gz FEKLXYKJYWJLMW-HNNXBMFYSA-N 0 1 393.535 3.625 20 10 GHCDMN CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000732737631 862457083 /nfs/dbraw/zinc/45/70/83/862457083.db2.gz QZPGEOFFAJUBCM-NRFANRHFSA-N 0 1 397.538 3.853 20 10 GHCDMN COc1ccc(N2CCCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC000131626388 855213499 /nfs/dbraw/zinc/21/34/99/855213499.db2.gz YQJRKPGUZAJYKJ-UHFFFAOYSA-N 0 1 394.450 3.577 20 10 GHCDMN CC[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C)cc1O ZINC000280894776 862735122 /nfs/dbraw/zinc/73/51/22/862735122.db2.gz FILODFAIEOKMJK-NVXWUHKLSA-N 0 1 377.282 3.730 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc4c(c3)CC(C)(C)O4)SC2=S)CC1 ZINC000171770484 862774845 /nfs/dbraw/zinc/77/48/45/862774845.db2.gz KVVFWACIENBLHV-GZTJUZNOSA-N 0 1 388.558 3.696 20 10 GHCDMN COc1cc(C)cc(CN2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1O ZINC000895290539 859042058 /nfs/dbraw/zinc/04/20/58/859042058.db2.gz KZWFIVMCGBAZDP-JOCHJYFZSA-N 0 1 399.535 3.915 20 10 GHCDMN O=C(/C=C\c1ccc(O)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000764257421 859323145 /nfs/dbraw/zinc/32/31/45/859323145.db2.gz GKJFVLKYKQJGFY-PRCIHIDRSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1ccc(O)cc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000764257421 859323157 /nfs/dbraw/zinc/32/31/57/859323157.db2.gz GKJFVLKYKQJGFY-PRCIHIDRSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1ccc(O)cc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000764257421 859323169 /nfs/dbraw/zinc/32/31/69/859323169.db2.gz GKJFVLKYKQJGFY-PRCIHIDRSA-N 0 1 386.879 3.545 20 10 GHCDMN COc1cc(N2CCN(Cc3ccnc4ccccc34)CC2)cc(OC)c1OC ZINC000761220869 859511339 /nfs/dbraw/zinc/51/13/39/859511339.db2.gz ZNYCYSJOPLVURR-UHFFFAOYSA-N 0 1 393.487 3.583 20 10 GHCDMN CC(C)(C)n1ncc(NCc2cccc(Br)c2O)c(Cl)c1=O ZINC000764934270 859690452 /nfs/dbraw/zinc/69/04/52/859690452.db2.gz KTNOZUCFUCLULH-UHFFFAOYSA-N 0 1 386.677 3.732 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCc4c3cccc4C)cc2F)CC1 ZINC000730132480 860873136 /nfs/dbraw/zinc/87/31/36/860873136.db2.gz DRFKJEHNQXJVQN-UHFFFAOYSA-N 0 1 396.510 3.548 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(/C)c3ccccc3)cc2F)CC1 ZINC000730193599 860936421 /nfs/dbraw/zinc/93/64/21/860936421.db2.gz NPXOZQYGNVSUPM-SDXDJHTJSA-N 0 1 381.495 3.687 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCc3ccc(C)cc3C)cc2F)CC1 ZINC000730194326 860937137 /nfs/dbraw/zinc/93/71/37/860937137.db2.gz MESGFBXMNYPIJL-UHFFFAOYSA-N 0 1 397.538 3.833 20 10 GHCDMN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000186141275 863230220 /nfs/dbraw/zinc/23/02/20/863230220.db2.gz USHDTHBCLJDQKV-AWEZNQCLSA-N 0 1 390.530 3.578 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c1O ZINC000792882657 881769252 /nfs/dbraw/zinc/76/92/52/881769252.db2.gz GNDDMBBDZZJLIF-UHFFFAOYSA-N 0 1 378.394 3.724 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000185110633 865289157 /nfs/dbraw/zinc/28/91/57/865289157.db2.gz ONBTXBXCJJVBFW-OAHLLOKOSA-N 0 1 384.501 3.647 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC000738240483 865515358 /nfs/dbraw/zinc/51/53/58/865515358.db2.gz POYCDLNCEUTEHE-IBGZPJMESA-N 0 1 388.552 3.685 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(C)c3)cc2F)CC1 ZINC000739555085 865769767 /nfs/dbraw/zinc/76/97/67/865769767.db2.gz IOAUDWYEUUFXDU-SFHVURJKSA-N 0 1 383.511 3.696 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1cccs1 ZINC000174425423 865791229 /nfs/dbraw/zinc/79/12/29/865791229.db2.gz NOLYLBHJEDOZTH-LBPRGKRZSA-N 0 1 397.338 3.743 20 10 GHCDMN CCN(C)c1ccc(CN(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000741753309 866774549 /nfs/dbraw/zinc/77/45/49/866774549.db2.gz SOGTXSNZRUUMMF-UHFFFAOYSA-N 0 1 382.508 3.562 20 10 GHCDMN COc1ccc(Cl)cc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000920473464 882143317 /nfs/dbraw/zinc/14/33/17/882143317.db2.gz UVHOEKUGONPVFK-XNTDXEJSSA-N 0 1 382.938 3.644 20 10 GHCDMN C[C@H]1C[C@H](c2cccc(F)c2)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743854729 868453928 /nfs/dbraw/zinc/45/39/28/868453928.db2.gz KIERYSQUDIRLTF-HTAPYJJXSA-N 0 1 383.511 3.933 20 10 GHCDMN CCN(CC(=O)Nc1cccc(F)c1)Cc1cc(Br)ccc1O ZINC000743870942 868467821 /nfs/dbraw/zinc/46/78/21/868467821.db2.gz IOBWAVYXOXDTED-UHFFFAOYSA-N 0 1 381.245 3.754 20 10 GHCDMN CC(C)c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000857473265 882287386 /nfs/dbraw/zinc/28/73/86/882287386.db2.gz VKRSFNLDGXUIRV-KRWDZBQOSA-N 0 1 387.911 3.958 20 10 GHCDMN CN(C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000793604430 882312248 /nfs/dbraw/zinc/31/22/48/882312248.db2.gz GNLXICXWQOOUPR-GOSISDBHSA-N 0 1 387.911 3.824 20 10 GHCDMN CN(C(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000793604430 882312267 /nfs/dbraw/zinc/31/22/67/882312267.db2.gz GNLXICXWQOOUPR-GOSISDBHSA-N 0 1 387.911 3.824 20 10 GHCDMN COc1cccc([C@H]2CSCCN2C(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193611964 871187033 /nfs/dbraw/zinc/18/70/33/871187033.db2.gz KILZIDVUULKBOO-OAHLLOKOSA-N 0 1 379.865 3.690 20 10 GHCDMN COc1ccc(-c2nnsc2NC(=O)c2cc(O)c(O)c(Cl)c2)cc1 ZINC001193606241 871214037 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3.938 20 10 GHCDMN O=C(CCOc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917424 873685937 /nfs/dbraw/zinc/68/59/37/873685937.db2.gz ZDAISDFPAYTXMJ-SFHVURJKSA-N 0 1 388.895 3.595 20 10 GHCDMN CN1CCO[C@H]([C@@H](NCc2ccc3c(c2)CCCN3C)c2ccc(Cl)cc2)C1 ZINC000769016856 873778792 /nfs/dbraw/zinc/77/87/92/873778792.db2.gz KTJISSVJEAVJSM-GOTSBHOMSA-N 0 1 399.966 3.884 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000527940465 873781744 /nfs/dbraw/zinc/78/17/44/873781744.db2.gz UKCCHNWBDCTWQM-TVQRCGJNSA-N 0 1 378.192 3.805 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cc(Br)ccc1[O-] ZINC000528002560 873871382 /nfs/dbraw/zinc/87/13/82/873871382.db2.gz JRWJUXNOMKXOQW-BDJLRTHQSA-N 0 1 375.266 3.632 20 10 GHCDMN CCCCCc1nnc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775830490 874290545 /nfs/dbraw/zinc/29/05/45/874290545.db2.gz KEBIZSLMILLQJH-CQSZACIVSA-N 0 1 375.542 3.626 20 10 GHCDMN CC(C)(C)Nc1nc(NCc2ccccc2O)nc(NCc2ccccc2O)n1 ZINC000804399026 882815211 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C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000858110671 882856165 /nfs/dbraw/zinc/85/61/65/882856165.db2.gz XSFPZBAKGBQQAL-ZDUSSCGKSA-N 0 1 375.419 3.838 20 10 GHCDMN COc1ccc(N2CCC(NCc3ncc(Br)cc3F)CC2)cc1 ZINC000858123291 882863164 /nfs/dbraw/zinc/86/31/64/882863164.db2.gz SUYNZOWAQBGGBT-UHFFFAOYSA-N 0 1 394.288 3.750 20 10 GHCDMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccc1 ZINC000771059429 875014681 /nfs/dbraw/zinc/01/46/81/875014681.db2.gz RDLDWGISOWYKNE-QAPCUYQASA-N 0 1 375.900 3.579 20 10 GHCDMN Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000771069139 875019535 /nfs/dbraw/zinc/01/95/35/875019535.db2.gz XAKCWNRJLOYVHE-RHSMWYFYSA-N 0 1 376.884 3.831 20 10 GHCDMN C[C@@](O)(C1CCN(Cc2ccc(Br)cc2O)CC1)C(F)(F)F ZINC000825529788 875033487 /nfs/dbraw/zinc/03/34/87/875033487.db2.gz GTIAUYPIUQUADE-CQSZACIVSA-N 0 1 382.220 3.680 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000858158344 882896106 /nfs/dbraw/zinc/89/61/06/882896106.db2.gz 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O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])N1CC(F)F ZINC001275235836 912763336 /nfs/dbraw/zinc/76/33/36/912763336.db2.gz DJNUIKLRBYUTLU-CHWSQXEVSA-N 0 1 379.234 3.529 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)c1O ZINC000859896987 884162289 /nfs/dbraw/zinc/16/22/89/884162289.db2.gz XPQIPUVLRASESV-UHFFFAOYSA-N 0 1 387.455 3.839 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154879 884240280 /nfs/dbraw/zinc/24/02/80/884240280.db2.gz FPZXHFJTWOBSCI-LIRRHRJNSA-N 0 1 382.504 3.936 20 10 GHCDMN Nc1ccc(CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000841958999 884340509 /nfs/dbraw/zinc/34/05/09/884340509.db2.gz KBEUUEJFOGOKFM-GOSISDBHSA-N 0 1 396.539 3.566 20 10 GHCDMN CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512665 884368514 /nfs/dbraw/zinc/36/85/14/884368514.db2.gz HOAKWJNSMKMKJT-QTJFZDIUSA-N 0 1 389.446 3.936 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)ccc1[O-] 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ZINC000808115205 886028605 /nfs/dbraw/zinc/02/86/05/886028605.db2.gz SMPSWWQQMOVSTE-UHFFFAOYSA-N 0 1 395.195 3.856 20 10 GHCDMN CC(C)N(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(N(C)C)cc1 ZINC000919648388 886063929 /nfs/dbraw/zinc/06/39/29/886063929.db2.gz OGZZIVKNWVMEOK-OAQYLSRUSA-N 0 1 381.520 3.603 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302371 886287220 /nfs/dbraw/zinc/28/72/20/886287220.db2.gz RLVGEIJHSRLWBH-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302371 886287239 /nfs/dbraw/zinc/28/72/39/886287239.db2.gz RLVGEIJHSRLWBH-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C[C@H]2CCOC2)C1 ZINC000774734559 913104554 /nfs/dbraw/zinc/10/45/54/913104554.db2.gz MEOXCXZLKYTTCC-QZTJIDSGSA-N 0 1 384.520 3.766 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CCc4c(F)ccc(C(=O)[O-])c4C3)cc2)CC1 ZINC000863472777 887139159 /nfs/dbraw/zinc/13/91/59/887139159.db2.gz PGOPUWJCDCBIJO-UHFFFAOYSA-N 0 1 398.478 3.697 20 10 GHCDMN O=C(Nc1cnn(-c2ccncc2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000747548525 887210765 /nfs/dbraw/zinc/21/07/65/887210765.db2.gz WGCJDZZJHIULOM-UHFFFAOYSA-N 0 1 389.415 3.800 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000863852604 887415210 /nfs/dbraw/zinc/41/52/10/887415210.db2.gz QBGBGRMVWJPSTE-UHFFFAOYSA-N 0 1 378.476 3.901 20 10 GHCDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)CCO2 ZINC000794670285 887715645 /nfs/dbraw/zinc/71/56/45/887715645.db2.gz VZIRMYXYEDBFAT-DJJJIMSYSA-N 0 1 392.293 3.688 20 10 GHCDMN Fc1ccccc1N1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000809712267 887732363 /nfs/dbraw/zinc/73/23/63/887732363.db2.gz IDZZEUZIVIFJMG-UHFFFAOYSA-N 0 1 387.474 3.514 20 10 GHCDMN COc1ccccc1-n1nccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713309 887734191 /nfs/dbraw/zinc/73/41/91/887734191.db2.gz MDIWFQOTKZHFMU-UHFFFAOYSA-N 0 1 388.265 3.639 20 10 GHCDMN C[C@H](C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000809712932 887734390 /nfs/dbraw/zinc/73/43/90/887734390.db2.gz GYYZEQOQMHGYJF-NWDGAFQWSA-N 0 1 387.318 3.936 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790136 887844573 /nfs/dbraw/zinc/84/45/73/887844573.db2.gz AIPIKZFIFHFIJV-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790136 887844587 /nfs/dbraw/zinc/84/45/87/887844587.db2.gz AIPIKZFIFHFIJV-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN COc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C)c2c1C(=O)CO2 ZINC000809952004 888017909 /nfs/dbraw/zinc/01/79/09/888017909.db2.gz MNTMSZISQYMKCB-UHFFFAOYSA-N 0 1 394.452 3.646 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225409 888301365 /nfs/dbraw/zinc/30/13/65/888301365.db2.gz CVHFLUFELLGKPC-NEPJUHHUSA-N 0 1 384.320 3.615 20 10 GHCDMN CN(C)c1ccc([C@@H](CNCc2cn(C3CC3)cn2)NC(=O)OC(C)(C)C)cc1 ZINC000865519874 888403182 /nfs/dbraw/zinc/40/31/82/888403182.db2.gz UWDSSTBBVUZNGL-HXUWFJFHSA-N 0 1 399.539 3.640 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000841746292 888741411 /nfs/dbraw/zinc/74/14/11/888741411.db2.gz XSVQILDGWDZUNH-HOCLYGCPSA-N 0 1 387.911 3.598 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@H]2CCSC2)C1 ZINC001132497215 888973122 /nfs/dbraw/zinc/97/31/22/888973122.db2.gz DFNFQUAMASRAOF-KRWDZBQOSA-N 0 1 385.577 3.667 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC001132899401 889782897 /nfs/dbraw/zinc/78/28/97/889782897.db2.gz UKTXLEHQELWQCN-UHFFFAOYSA-N 0 1 392.330 3.604 20 10 GHCDMN C[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000812737803 890919504 /nfs/dbraw/zinc/91/95/04/890919504.db2.gz SKRYVZVBHDFZIU-OAHLLOKOSA-N 0 1 388.943 3.640 20 10 GHCDMN COc1ccc(F)cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000812747307 890929326 /nfs/dbraw/zinc/92/93/26/890929326.db2.gz USQPEWMATHCFHN-UHFFFAOYSA-N 0 1 398.400 3.980 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000812780130 890959955 /nfs/dbraw/zinc/95/99/55/890959955.db2.gz SZHSZZDYEKWQDP-FQEVSTJZSA-N 0 1 390.321 3.972 20 10 GHCDMN COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075340 890973178 /nfs/dbraw/zinc/97/31/78/890973178.db2.gz UADJHWFJUGXCGM-GOSISDBHSA-N 0 1 383.536 3.849 20 10 GHCDMN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075340 890973188 /nfs/dbraw/zinc/97/31/88/890973188.db2.gz UADJHWFJUGXCGM-GOSISDBHSA-N 0 1 383.536 3.849 20 10 GHCDMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000917088018 891068581 /nfs/dbraw/zinc/06/85/81/891068581.db2.gz KHIQNKGQDRDVLO-QHCPKHFHSA-N 0 1 395.547 3.817 20 10 GHCDMN CCN(C(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1)C1CCCCC1 ZINC000917089650 891081062 /nfs/dbraw/zinc/08/10/62/891081062.db2.gz ADTGEFGZJVKCGW-IBGZPJMESA-N 0 1 387.568 3.777 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000747831465 891204743 /nfs/dbraw/zinc/20/47/43/891204743.db2.gz ZGEYDXGXNVWHGE-QZTJIDSGSA-N 0 1 381.472 3.577 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000747831465 891204760 /nfs/dbraw/zinc/20/47/60/891204760.db2.gz ZGEYDXGXNVWHGE-QZTJIDSGSA-N 0 1 381.472 3.577 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000917207965 891574844 /nfs/dbraw/zinc/57/48/44/891574844.db2.gz SJRIHSPOOLCZTG-MRXNPFEDSA-N 0 1 387.911 3.888 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2n[nH]c(-c3ccccc3)n2)ccc1N1CCCCC1 ZINC000774815594 913618340 /nfs/dbraw/zinc/61/83/40/913618340.db2.gz SJTXHEXOALQODF-UHFFFAOYSA-N 0 1 392.463 3.660 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2nc(-c3ccccc3)n[nH]2)ccc1N1CCCCC1 ZINC000774815594 913618356 /nfs/dbraw/zinc/61/83/56/913618356.db2.gz SJTXHEXOALQODF-UHFFFAOYSA-N 0 1 392.463 3.660 20 10 GHCDMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccccc3O)c2C1 ZINC000874192403 892028607 /nfs/dbraw/zinc/02/86/07/892028607.db2.gz KDHADROYACPNHR-JKSUJKDBSA-N 0 1 395.503 3.568 20 10 GHCDMN COc1ccc(N2CCC(N[C@@H](C)c3ncc(Br)cn3)CC2)cc1 ZINC000814301785 892529914 /nfs/dbraw/zinc/52/99/14/892529914.db2.gz DUXXOEGTAXILPO-ZDUSSCGKSA-N 0 1 391.313 3.567 20 10 GHCDMN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825797642 892645100 /nfs/dbraw/zinc/64/51/00/892645100.db2.gz CMIPSQVHMLEJQD-INIZCTEOSA-N 0 1 390.281 3.551 20 10 GHCDMN Fc1cc(CNCc2cc3c(ccnc3Cl)o2)ccc1N1CCOCC1 ZINC000876945855 893397613 /nfs/dbraw/zinc/39/76/13/893397613.db2.gz KKNAMYQUTYVMKT-UHFFFAOYSA-N 0 1 375.831 3.747 20 10 GHCDMN COc1ccc(N2CCCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)cc1 ZINC000918368645 893555522 /nfs/dbraw/zinc/55/55/22/893555522.db2.gz ASIOXSNCZWDBMB-UHFFFAOYSA-N 0 1 390.487 3.746 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000877534127 893670789 /nfs/dbraw/zinc/67/07/89/893670789.db2.gz YKQNADHOYSCVLF-QMMMGPOBSA-N 0 1 387.255 3.984 20 10 GHCDMN OC1CCN(c2ccc(CN3CC4(CCOCC4)[C@H]3c3ccco3)cc2)CC1 ZINC000877634527 893735925 /nfs/dbraw/zinc/73/59/25/893735925.db2.gz RFOOACGWLZPBJK-JOCHJYFZSA-N 0 1 382.504 3.594 20 10 GHCDMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1 ZINC000288624935 913823048 /nfs/dbraw/zinc/82/30/48/913823048.db2.gz QLVCAFRFGMOREB-QWHCGFSZSA-N 0 1 390.919 3.563 20 10 GHCDMN O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484245 894851956 /nfs/dbraw/zinc/85/19/56/894851956.db2.gz VNVLHAPYNQEKOU-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)ccc2ccccc21 ZINC000816544789 894914663 /nfs/dbraw/zinc/91/46/63/894914663.db2.gz UFMUZWIHDRVJGO-QFIPXVFZSA-N 0 1 380.463 3.848 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc2ccccc12 ZINC000816552770 894938217 /nfs/dbraw/zinc/93/82/17/894938217.db2.gz VWOVIDDOLOBCPU-SFHVURJKSA-N 0 1 385.847 3.793 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816609440 894971564 /nfs/dbraw/zinc/97/15/64/894971564.db2.gz BULPMWXXOIBFFA-STQMWFEESA-N 0 1 384.505 3.712 20 10 GHCDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882027 895947683 /nfs/dbraw/zinc/94/76/83/895947683.db2.gz VFYHTYWIVSKWRO-GOEBONIOSA-N 0 1 395.341 3.982 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)cc(F)c1O ZINC001136189744 896421374 /nfs/dbraw/zinc/42/13/74/896421374.db2.gz BXLDDGGNRMVWFX-UHFFFAOYSA-N 0 1 393.256 3.824 20 10 GHCDMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000778564343 896806533 /nfs/dbraw/zinc/80/65/33/896806533.db2.gz AHEQOVPPKJBOBZ-UHFFFAOYSA-N 0 1 381.450 3.567 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(-c2cccc(OC)c2)[nH]c1C ZINC000819755013 896987565 /nfs/dbraw/zinc/98/75/65/896987565.db2.gz BUPUDGRQAZINHJ-UHFFFAOYSA-N 0 1 386.448 3.515 20 10 GHCDMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N2CCCCC2)cc1 ZINC000043139391 898240402 /nfs/dbraw/zinc/24/04/02/898240402.db2.gz OUEPLFXJWNKICN-OAQYLSRUSA-N 0 1 397.519 3.769 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000884006027 898415933 /nfs/dbraw/zinc/41/59/33/898415933.db2.gz FAOCDQOGJKAWOX-JOCHJYFZSA-N 0 1 390.531 3.687 20 10 GHCDMN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000823162584 898882619 /nfs/dbraw/zinc/88/26/19/898882619.db2.gz ZSIRVNNQFNNRSD-HNNXBMFYSA-N 0 1 389.437 3.562 20 10 GHCDMN COc1ccc(-n2cc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cn2)cc1 ZINC000823386921 899001411 /nfs/dbraw/zinc/00/14/11/899001411.db2.gz QAXHDJNKABRKBG-JOCHJYFZSA-N 0 1 393.487 3.768 20 10 GHCDMN C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1[O-] ZINC000824576072 899694732 /nfs/dbraw/zinc/69/47/32/899694732.db2.gz ZJNYNJYRGBRKIH-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1[O-] ZINC000824576072 899694741 /nfs/dbraw/zinc/69/47/41/899694741.db2.gz ZJNYNJYRGBRKIH-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1O ZINC000824708913 899779322 /nfs/dbraw/zinc/77/93/22/899779322.db2.gz IESPMXQYVVAYMI-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1[O-] ZINC000824708913 899779327 /nfs/dbraw/zinc/77/93/27/899779327.db2.gz IESPMXQYVVAYMI-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1[O-] ZINC000824708913 899779331 /nfs/dbraw/zinc/77/93/31/899779331.db2.gz IESPMXQYVVAYMI-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CSCC[C@@H](NCc1cc(Cl)c(C)cc1O)c1nnc2ccccn21 ZINC000825070527 899961923 /nfs/dbraw/zinc/96/19/23/899961923.db2.gz GSJKJTSHFOJEEN-OAHLLOKOSA-N 0 1 376.913 3.981 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000825331733 900098863 /nfs/dbraw/zinc/09/88/63/900098863.db2.gz MHLWZQTZOMJUOC-UHFFFAOYSA-N 0 1 380.838 3.903 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000825331733 900098867 /nfs/dbraw/zinc/09/88/67/900098867.db2.gz MHLWZQTZOMJUOC-UHFFFAOYSA-N 0 1 380.838 3.903 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1Cl ZINC000825461215 900177120 /nfs/dbraw/zinc/17/71/20/900177120.db2.gz HHXAEKZSDAPFLV-QGZVFWFLSA-N 0 1 376.928 3.969 20 10 GHCDMN CC[C@H](O)[C@H]1CCCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001144005697 900878105 /nfs/dbraw/zinc/87/81/05/900878105.db2.gz AJORCGLUUXFQGO-PKTZIBPZSA-N 0 1 397.563 3.560 20 10 GHCDMN C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000844733113 901250291 /nfs/dbraw/zinc/25/02/91/901250291.db2.gz NOBXWSKRWIWYKP-WMLDXEAASA-N 0 1 378.476 3.902 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC001144298579 901646548 /nfs/dbraw/zinc/64/65/48/901646548.db2.gz GWYNJXNFABJDJA-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN COc1cc(Br)cc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846017316 902598460 /nfs/dbraw/zinc/59/84/60/902598460.db2.gz MHXKTGQDVSNNPT-QFYYESIMSA-N 0 1 384.245 3.514 20 10 GHCDMN COc1cc(CN[C@H](C)c2cccc(OC)c2O)c(Br)cc1O ZINC000846171218 902741185 /nfs/dbraw/zinc/74/11/85/902741185.db2.gz DWDMCMICRXFBBT-SNVBAGLBSA-N 0 1 382.254 3.728 20 10 GHCDMN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001172960696 906070202 /nfs/dbraw/zinc/07/02/02/906070202.db2.gz XURBJGASEOXASH-LBPRGKRZSA-N 0 1 387.318 3.890 20 10 GHCDMN C[C@H](NCc1cccnc1OCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000179522755 906519764 /nfs/dbraw/zinc/51/97/64/906519764.db2.gz ODSAGEHNRGVASK-AWEZNQCLSA-N 0 1 395.425 3.552 20 10 GHCDMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])ccc2NC1=O ZINC000180033350 906669268 /nfs/dbraw/zinc/66/92/68/906669268.db2.gz LQFUDTGXRUJXHC-VOJFVSQTSA-N 0 1 386.423 3.694 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc2ccccc2n1C ZINC000180045631 906675637 /nfs/dbraw/zinc/67/56/37/906675637.db2.gz CSXAJTKEJACUDC-OAHLLOKOSA-N 0 1 382.483 3.524 20 10 GHCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773406325 907208397 /nfs/dbraw/zinc/20/83/97/907208397.db2.gz BPWPZGJXBRYSIA-ZWKOTPCHSA-N 0 1 395.551 3.733 20 10 GHCDMN O=C(CN1CCC[C@H]1c1nnc[nH]1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001174882863 907245963 /nfs/dbraw/zinc/24/59/63/907245963.db2.gz HZJORNVHTQOUGU-SFHVURJKSA-N 0 1 375.436 3.996 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cc(Br)ccc1[O-] ZINC000185209857 907733313 /nfs/dbraw/zinc/73/33/13/907733313.db2.gz VEBMNDSBZURXNN-MRXNPFEDSA-N 0 1 377.282 3.755 20 10 GHCDMN O=C1NCCN1c1ccc(NCc2cc(Cl)cc(Br)c2O)cc1 ZINC001177387480 908556149 /nfs/dbraw/zinc/55/61/49/908556149.db2.gz PUFRXJQESSJISJ-UHFFFAOYSA-N 0 1 396.672 3.950 20 10 GHCDMN Cc1c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C(C)(C)C ZINC000191203746 908593770 /nfs/dbraw/zinc/59/37/70/908593770.db2.gz AMMPILBUCSLOGN-HNNXBMFYSA-N 0 1 388.531 3.898 20 10 GHCDMN CN(C)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1F ZINC000245670405 909817627 /nfs/dbraw/zinc/81/76/27/909817627.db2.gz CUKSVGGLQBFPGT-RTWAWAEBSA-N 0 1 391.918 3.707 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1O ZINC000795363236 910062772 /nfs/dbraw/zinc/06/27/72/910062772.db2.gz VUWFQYOZLUQOHU-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001180505533 910216641 /nfs/dbraw/zinc/21/66/41/910216641.db2.gz XOVHSTFOZHMIJS-UHFFFAOYSA-N 0 1 395.547 3.889 20 10 GHCDMN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000283075326 911361831 /nfs/dbraw/zinc/36/18/31/911361831.db2.gz VCZZKIZUWBRMOZ-INIZCTEOSA-N 0 1 390.281 3.551 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@H]1c1ccc(C)o1)cc2=O ZINC000303716055 915069591 /nfs/dbraw/zinc/06/95/91/915069591.db2.gz ACJVHEFBEYXLID-KRWDZBQOSA-N 0 1 398.463 3.630 20 10 GHCDMN COc1ccc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000303875062 915233759 /nfs/dbraw/zinc/23/37/59/915233759.db2.gz QQZUSWXUMSUBTD-UHFFFAOYSA-N 0 1 398.894 3.763 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000775376118 917262818 /nfs/dbraw/zinc/26/28/18/917262818.db2.gz SDHOQWWVQWHCDD-SNVBAGLBSA-N 0 1 398.362 3.770 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001190974819 917677252 /nfs/dbraw/zinc/67/72/52/917677252.db2.gz BVTVQJRCYVTWTD-RYUDHWBXSA-N 0 1 393.336 3.546 20 10 GHCDMN CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000775492901 918319306 /nfs/dbraw/zinc/31/93/06/918319306.db2.gz QHSINTRBNOMHRL-QGZVFWFLSA-N 0 1 391.309 3.934 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192086516 918384158 /nfs/dbraw/zinc/38/41/58/918384158.db2.gz NCOCTMKHSNHNNA-UHFFFAOYSA-N 0 1 397.452 3.955 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(O[C@H]4CCCC[C@@H]4O)cc3)cc2)CC1 ZINC000800271757 919822608 /nfs/dbraw/zinc/82/26/08/919822608.db2.gz HMMUKEBUKHJAIC-ZEQRLZLVSA-N 0 1 395.547 3.733 20 10 GHCDMN CN1CCN(C(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000802760083 922386506 /nfs/dbraw/zinc/38/65/06/922386506.db2.gz APABFQMITRSGTQ-UHFFFAOYSA-N 0 1 394.302 3.699 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cnc4ccccc4c3)CC2)cc1 ZINC001137283994 924237763 /nfs/dbraw/zinc/23/77/63/924237763.db2.gz BFUDYHNNVIUOFF-UHFFFAOYSA-N 0 1 377.488 3.582 20 10 GHCDMN Cc1cc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N1CCCCC1 ZINC000827807649 926045891 /nfs/dbraw/zinc/04/58/91/926045891.db2.gz GHQIFLNVUQFIFQ-SFHVURJKSA-N 0 1 383.458 3.580 20 10 GHCDMN Cc1cc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)ccc1N1CCCCC1 ZINC000827807649 926045901 /nfs/dbraw/zinc/04/59/01/926045901.db2.gz GHQIFLNVUQFIFQ-SFHVURJKSA-N 0 1 383.458 3.580 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079947 928596136 /nfs/dbraw/zinc/59/61/36/928596136.db2.gz UHXKBYWMUOGNNU-GXTWGEPZSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079947 928596142 /nfs/dbraw/zinc/59/61/42/928596142.db2.gz UHXKBYWMUOGNNU-GXTWGEPZSA-N 0 1 396.915 3.983 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@@H]2CCCc3[nH]ncc32)c(C)n1-c1ccc(F)cc1 ZINC000758135925 929939494 /nfs/dbraw/zinc/93/94/94/929939494.db2.gz IADNDAULSGUEGU-QGZVFWFLSA-N 0 1 395.434 3.802 20 10 GHCDMN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000780657624 930570375 /nfs/dbraw/zinc/57/03/75/930570375.db2.gz LRMKCYQBNQZWEX-AYOQOUSVSA-N 0 1 394.943 3.722 20 10 GHCDMN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000927017519 932382323 /nfs/dbraw/zinc/38/23/23/932382323.db2.gz WDILUGHPGJKQDG-ZBFHGGJFSA-N 0 1 384.314 3.924 20 10 GHCDMN CN(C)Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1Cl ZINC000798503452 932677992 /nfs/dbraw/zinc/67/79/92/932677992.db2.gz KMIXPTGLTBWFJR-UHFFFAOYSA-N 0 1 377.891 3.989 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[O-] ZINC000777808860 933570680 /nfs/dbraw/zinc/57/06/80/933570680.db2.gz KFZVXPSCXKXGRR-INIZCTEOSA-N 0 1 394.450 3.899 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[O-] ZINC000777808860 933570684 /nfs/dbraw/zinc/57/06/84/933570684.db2.gz KFZVXPSCXKXGRR-INIZCTEOSA-N 0 1 394.450 3.899 20 10 GHCDMN CCOC(=O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001116673331 933696257 /nfs/dbraw/zinc/69/62/57/933696257.db2.gz LWDTZQZYWAMJFU-QGZVFWFLSA-N 0 1 375.469 3.503 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn(-c2ccncc2)n1 ZINC001116784951 933755143 /nfs/dbraw/zinc/75/51/43/933755143.db2.gz DKGTUMFZFUJALS-UHFFFAOYSA-N 0 1 375.476 3.530 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2C(F)F)C1 ZINC000561373551 934090070 /nfs/dbraw/zinc/09/00/70/934090070.db2.gz GTCMHRYJHBOVRY-LJQANCHMSA-N 0 1 375.463 3.664 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c2ncccc12 ZINC000829677605 935843893 /nfs/dbraw/zinc/84/38/93/935843893.db2.gz DYTSPNDKLVMHKG-UHFFFAOYSA-N 0 1 383.473 3.644 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000829935873 935883463 /nfs/dbraw/zinc/88/34/63/935883463.db2.gz WZUQITGHROEKFH-UHFFFAOYSA-N 0 1 392.477 3.575 20 10 GHCDMN C[C@H]1COCC[C@@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660168 1032508271 /nfs/dbraw/zinc/50/82/71/1032508271.db2.gz VYYZUBLDGPZFFO-XPTSAGLGSA-N 0 1 398.367 3.613 20 10 GHCDMN COC1=CC[C@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)CC1 ZINC001227993599 1032729814 /nfs/dbraw/zinc/72/98/14/1032729814.db2.gz CXERVYZIASZCPE-AWEZNQCLSA-N 0 1 380.396 3.643 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3ccccc3)C2)c1O ZINC001204339120 1032781107 /nfs/dbraw/zinc/78/11/07/1032781107.db2.gz WAIZUJNLEUICIY-MRXNPFEDSA-N 0 1 378.266 3.817 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C2CC2)C(F)(F)F)C1 ZINC000562885792 1018751499 /nfs/dbraw/zinc/75/14/99/1018751499.db2.gz GYCVWZBGOTUJES-HXUWFJFHSA-N 0 1 393.453 3.865 20 10 GHCDMN COc1cc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc(O)c1O ZINC001204349758 1032787851 /nfs/dbraw/zinc/78/78/51/1032787851.db2.gz XDVIZWWKABEYRG-UHFFFAOYSA-N 0 1 378.472 3.577 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(Cc3ccccn3)no2)C1 ZINC000570243893 1019575388 /nfs/dbraw/zinc/57/53/88/1019575388.db2.gz YTDDEPLBIMYOGT-UHFFFAOYSA-N 0 1 387.487 3.825 20 10 GHCDMN C[C@@H]1C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2nccn21 ZINC000834737483 1021422113 /nfs/dbraw/zinc/42/21/13/1021422113.db2.gz TWTCCEXBFXALAY-LZQZEXGQSA-N 0 1 399.539 3.811 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)N1Cc1ccncc1 ZINC001140338348 1021443418 /nfs/dbraw/zinc/44/34/18/1021443418.db2.gz GKRLFNYJIPHIPI-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)N1Cc1ccncc1 ZINC001140338348 1021443426 /nfs/dbraw/zinc/44/34/26/1021443426.db2.gz GKRLFNYJIPHIPI-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]12 ZINC001140339291 1021446579 /nfs/dbraw/zinc/44/65/79/1021446579.db2.gz HNOMDERHWFTPKO-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]12 ZINC001140339291 1021446582 /nfs/dbraw/zinc/44/65/82/1021446582.db2.gz HNOMDERHWFTPKO-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001140339673 1021446599 /nfs/dbraw/zinc/44/65/99/1021446599.db2.gz LAQLHWSFMVYAKH-AWEZNQCLSA-N 0 1 392.858 3.782 20 10 GHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834916462 1021684081 /nfs/dbraw/zinc/68/40/81/1021684081.db2.gz ZDJGNLRDXIQPAX-ZIAGYGMSSA-N 0 1 391.309 3.553 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001140466045 1021760447 /nfs/dbraw/zinc/76/04/47/1021760447.db2.gz ZVGWCBAMZMRLJT-UHFFFAOYSA-N 0 1 393.940 3.621 20 10 GHCDMN O=C(CCC[NH+]1CCN(Cc2c([O-])cc(F)cc2F)CC1)c1ccc(F)cc1 ZINC001140585159 1022009431 /nfs/dbraw/zinc/00/94/31/1022009431.db2.gz WNMIZMWUHMYXBI-UHFFFAOYSA-N 0 1 392.421 3.590 20 10 GHCDMN Cc1c(O)ccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1O ZINC001140747808 1022421580 /nfs/dbraw/zinc/42/15/80/1022421580.db2.gz AZSQRSQBRNLIKB-IBGZPJMESA-N 0 1 397.519 3.539 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000754319054 1022615762 /nfs/dbraw/zinc/61/57/62/1022615762.db2.gz XNGAAMBWDHMAQP-ZFWWWQNUSA-N 0 1 394.487 3.859 20 10 GHCDMN CN(C)c1ccc(CN2CCC(NC(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC001140925447 1022902316 /nfs/dbraw/zinc/90/23/16/1022902316.db2.gz BOIBKTRCDLGEIO-UHFFFAOYSA-N 0 1 389.902 3.940 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000756439924 1023650805 /nfs/dbraw/zinc/65/08/05/1023650805.db2.gz ASCBUKJFOKWQHA-ZBFHGGJFSA-N 0 1 387.911 3.598 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(Br)ccc1[O-] ZINC000756442202 1023651759 /nfs/dbraw/zinc/65/17/59/1023651759.db2.gz CMIZORZSVMKGTR-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756460808 1023663787 /nfs/dbraw/zinc/66/37/87/1023663787.db2.gz TUZXAJUUCQKCSG-TZMCWYRMSA-N 0 1 382.273 3.796 20 10 GHCDMN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000756504678 1023688405 /nfs/dbraw/zinc/68/84/05/1023688405.db2.gz PQGJNJGRPFMHPY-HKUYNNGSSA-N 0 1 382.504 3.742 20 10 GHCDMN Cc1ccc(O)c([C@H](C)NCc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000756641483 1023750322 /nfs/dbraw/zinc/75/03/22/1023750322.db2.gz IIPPSBPWWREHLA-HNNXBMFYSA-N 0 1 381.501 3.938 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc(Oc4ccccc4)n3)cc2)CC1 ZINC001156655767 1033159500 /nfs/dbraw/zinc/15/95/00/1033159500.db2.gz JLAVVOMLDUOYNL-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)c(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC001156655735 1033159770 /nfs/dbraw/zinc/15/97/70/1033159770.db2.gz HWGGSXPEYUEMBT-UHFFFAOYSA-N 0 1 396.278 3.661 20 10 GHCDMN C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756714542 1023785391 /nfs/dbraw/zinc/78/53/91/1023785391.db2.gz ZTATUPADYMRPEJ-XLKFXECMSA-N 0 1 390.199 3.956 20 10 GHCDMN CSc1ccc2ncnc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC001156658489 1033161761 /nfs/dbraw/zinc/16/17/61/1033161761.db2.gz FCARKTXFGQPWHL-UHFFFAOYSA-N 0 1 379.533 3.716 20 10 GHCDMN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)c1 ZINC000756849748 1023833978 /nfs/dbraw/zinc/83/39/78/1023833978.db2.gz INQNHXLUUYRDSC-ULQDDVLXSA-N 0 1 398.503 3.961 20 10 GHCDMN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756858681 1023837619 /nfs/dbraw/zinc/83/76/19/1023837619.db2.gz VYBVTALVSJVSFA-JTSKRJEESA-N 0 1 392.499 3.570 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001141375218 1024768576 /nfs/dbraw/zinc/76/85/76/1024768576.db2.gz ZLXCTVOVSMFVCO-ZDUSSCGKSA-N 0 1 383.673 3.856 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3cc(Br)ccc3[O-])C2)C1 ZINC000839092517 1025590735 /nfs/dbraw/zinc/59/07/35/1025590735.db2.gz PJGXJDDPEIHYBS-UHFFFAOYSA-N 0 1 397.313 3.644 20 10 GHCDMN CC(=O)Nc1cccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146723 1025643506 /nfs/dbraw/zinc/64/35/06/1025643506.db2.gz SFDOMFRIBQDEQR-CQSZACIVSA-N 0 1 389.446 3.611 20 10 GHCDMN CC(C)Oc1ccccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146704 1025644183 /nfs/dbraw/zinc/64/41/83/1025644183.db2.gz RNDDYEGMUFBSSS-UHFFFAOYSA-N 0 1 376.447 3.878 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001139125283 1025937585 /nfs/dbraw/zinc/93/75/85/1025937585.db2.gz QHGRQTXHAMQDQQ-UHFFFAOYSA-N 0 1 392.499 3.903 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001139126707 1025939623 /nfs/dbraw/zinc/93/96/23/1025939623.db2.gz NLSUAIPSKPXKST-UHFFFAOYSA-N 0 1 392.377 3.895 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001139129214 1025941489 /nfs/dbraw/zinc/94/14/89/1025941489.db2.gz QUECYSLTEZPALU-AWEZNQCLSA-N 0 1 387.382 3.739 20 10 GHCDMN CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139129415 1025941528 /nfs/dbraw/zinc/94/15/28/1025941528.db2.gz YWKSRGFLSKJTIU-UHFFFAOYSA-N 0 1 399.468 3.604 20 10 GHCDMN CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139129415 1025941533 /nfs/dbraw/zinc/94/15/33/1025941533.db2.gz YWKSRGFLSKJTIU-UHFFFAOYSA-N 0 1 399.468 3.604 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001139134008 1025948122 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BBBSTENDUIOMDT-AWEZNQCLSA-N 0 1 396.318 3.954 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001203575015 1027442726 /nfs/dbraw/zinc/44/27/26/1027442726.db2.gz BBBSTENDUIOMDT-AWEZNQCLSA-N 0 1 396.318 3.954 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cccc(OCC)c2O)Cc2cn(CC3CC3)nc21 ZINC001203608524 1027473047 /nfs/dbraw/zinc/47/30/47/1027473047.db2.gz SJDOHWNUHAKXCV-IBGZPJMESA-N 0 1 385.508 3.533 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(Cl)ccc4[O-])C3)CC2=O)cc1 ZINC001203655692 1027508754 /nfs/dbraw/zinc/50/87/54/1027508754.db2.gz ANNASXFGYOPLAV-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)CC2=O)cc1 ZINC001203655692 1027508767 /nfs/dbraw/zinc/50/87/67/1027508767.db2.gz ANNASXFGYOPLAV-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203657236 1027511150 /nfs/dbraw/zinc/51/11/50/1027511150.db2.gz AQCRQDGUBNVSFN-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203657236 1027511165 /nfs/dbraw/zinc/51/11/65/1027511165.db2.gz AQCRQDGUBNVSFN-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cc(Cl)ccc4[O-])C3)C2)n1 ZINC001203658444 1027514048 /nfs/dbraw/zinc/51/40/48/1027514048.db2.gz MFHBCVKEDMRDIU-CTNGQTDRSA-N 0 1 388.895 3.699 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)C2)n1 ZINC001203658444 1027514054 /nfs/dbraw/zinc/51/40/54/1027514054.db2.gz MFHBCVKEDMRDIU-CTNGQTDRSA-N 0 1 388.895 3.699 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001203658417 1027514551 /nfs/dbraw/zinc/51/45/51/1027514551.db2.gz LQFNKSMMVJFCKP-IBGZPJMESA-N 0 1 388.895 3.781 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001203658790 1027515030 /nfs/dbraw/zinc/51/50/30/1027515030.db2.gz OWBNQTNCWXBMHE-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001203658790 1027515038 /nfs/dbraw/zinc/51/50/38/1027515038.db2.gz OWBNQTNCWXBMHE-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN COc1ccc(O)c(CN2CCN(Cc3cccnc3)c3nc(C)ccc3C2)c1 ZINC001203675136 1027525418 /nfs/dbraw/zinc/52/54/18/1027525418.db2.gz OHNIKWFOFKWFRM-UHFFFAOYSA-N 0 1 390.487 3.522 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000840936512 1027971793 /nfs/dbraw/zinc/97/17/93/1027971793.db2.gz KQFSDDAVWUYGFD-KRWDZBQOSA-N 0 1 376.928 3.969 20 10 GHCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC001142526919 1029030813 /nfs/dbraw/zinc/03/08/13/1029030813.db2.gz BRLJZEKNKQGYQN-IRXDYDNUSA-N 0 1 375.415 3.839 20 10 GHCDMN CC(C)(C)c1cccc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001143105134 1029842443 /nfs/dbraw/zinc/84/24/43/1029842443.db2.gz KKTSKLGCTMAGJD-SFHVURJKSA-N 0 1 383.536 3.945 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c1O ZINC001143110868 1029848619 /nfs/dbraw/zinc/84/86/19/1029848619.db2.gz RXSDAFGTLZQWTA-YFVAEKQCSA-N 0 1 397.519 3.538 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cn3ccc(Br)cc3n2)c1 ZINC001461607079 1069638235 /nfs/dbraw/zinc/63/82/35/1069638235.db2.gz ZWJLCSXUUKTBBH-NSHDSACASA-N 0 1 376.254 3.662 20 10 GHCDMN CC(C)CN1CC[C@]2(CCCN2Cc2cc(Br)cc(F)c2O)C1=O ZINC001276881384 1030525420 /nfs/dbraw/zinc/52/54/20/1030525420.db2.gz RAMLHCPQUPZHML-GOSISDBHSA-N 0 1 399.304 3.517 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc4cc(Cl)sc4[nH]3)cc2)CC1 ZINC001153444315 1031594651 /nfs/dbraw/zinc/59/46/51/1031594651.db2.gz ZLWCUGYVWQRIBE-UHFFFAOYSA-N 0 1 388.924 3.565 20 10 GHCDMN COC(=O)C[C@H]1CCC[C@H](Oc2ccc3c(c2)C(=O)c2ccc(O)cc2C3=O)C1 ZINC001229192928 1033332429 /nfs/dbraw/zinc/33/24/29/1033332429.db2.gz YBVLVIDGSLLPKT-ZFWWWQNUSA-N 0 1 394.423 3.668 20 10 GHCDMN COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001207414281 1034351280 /nfs/dbraw/zinc/35/12/80/1034351280.db2.gz DZTIBQJVWUTQKO-LLVKDONJSA-N 0 1 390.705 3.973 20 10 GHCDMN COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454551 1034598351 /nfs/dbraw/zinc/59/83/51/1034598351.db2.gz RNLGSDYUMNFDTI-FQEVSTJZSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454551 1034598359 /nfs/dbraw/zinc/59/83/59/1034598359.db2.gz RNLGSDYUMNFDTI-FQEVSTJZSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454551 1034598369 /nfs/dbraw/zinc/59/83/69/1034598369.db2.gz RNLGSDYUMNFDTI-FQEVSTJZSA-N 0 1 398.503 3.586 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)cc1Cl ZINC001231867387 1034954008 /nfs/dbraw/zinc/95/40/08/1034954008.db2.gz JWABAZGWDFTFAZ-SJLPKXTDSA-N 0 1 388.870 3.584 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)cc1Cl ZINC001231867387 1034954014 /nfs/dbraw/zinc/95/40/14/1034954014.db2.gz JWABAZGWDFTFAZ-SJLPKXTDSA-N 0 1 388.870 3.584 20 10 GHCDMN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc2ccccc2c1O ZINC001231879583 1034963849 /nfs/dbraw/zinc/96/38/49/1034963849.db2.gz JBKJUAVJMGMEJU-SFHVURJKSA-N 0 1 386.492 3.613 20 10 GHCDMN Cc1cccc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)n1 ZINC001232200955 1035158380 /nfs/dbraw/zinc/15/83/80/1035158380.db2.gz FUIYDAVUIOYTEY-GOSISDBHSA-N 0 1 387.911 3.533 20 10 GHCDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)ccc(O)c2O)CCCCC1 ZINC001161780692 1035299774 /nfs/dbraw/zinc/29/97/74/1035299774.db2.gz ROXIRPMOYBPYFP-UHFFFAOYSA-N 0 1 386.467 3.802 20 10 GHCDMN C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC001161780692 1035299777 /nfs/dbraw/zinc/29/97/77/1035299777.db2.gz ROXIRPMOYBPYFP-UHFFFAOYSA-N 0 1 386.467 3.802 20 10 GHCDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC001161780692 1035299779 /nfs/dbraw/zinc/29/97/79/1035299779.db2.gz ROXIRPMOYBPYFP-UHFFFAOYSA-N 0 1 386.467 3.802 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001209517367 1035300709 /nfs/dbraw/zinc/30/07/09/1035300709.db2.gz BWVSNSBMRWFKQJ-NHCUHLMSSA-N 0 1 399.535 3.554 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc1I ZINC001248461925 1035887473 /nfs/dbraw/zinc/88/74/73/1035887473.db2.gz HQTOCDZNDCDNNP-NEPJUHHUSA-N 0 1 387.261 3.627 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1I ZINC001248461925 1035887482 /nfs/dbraw/zinc/88/74/82/1035887482.db2.gz HQTOCDZNDCDNNP-NEPJUHHUSA-N 0 1 387.261 3.627 20 10 GHCDMN COc1cc(O)c(CN2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001232267091 1037987560 /nfs/dbraw/zinc/98/75/60/1037987560.db2.gz WERGAMMNRLJLNV-IUODEOHRSA-N 0 1 384.904 3.789 20 10 GHCDMN COc1cc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1Cl ZINC001232270922 1037995694 /nfs/dbraw/zinc/99/56/94/1037995694.db2.gz MNWZKQUPYXLYKH-WFASDCNBSA-N 0 1 384.904 3.932 20 10 GHCDMN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl ZINC001232373401 1038149237 /nfs/dbraw/zinc/14/92/37/1038149237.db2.gz OFQWBEBQQUKNRU-UHFFFAOYSA-N 0 1 390.911 3.826 20 10 GHCDMN COC(=O)c1ccc2c(c1)CCN(Cc1c(O)cc(Br)cc1F)C2 ZINC001233028986 1038780870 /nfs/dbraw/zinc/78/08/70/1038780870.db2.gz XITNYNCTUVIAMO-UHFFFAOYSA-N 0 1 394.240 3.639 20 10 GHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c([O-])cc(Br)cc3F)C2)nc1 ZINC001233031346 1038785921 /nfs/dbraw/zinc/78/59/21/1038785921.db2.gz AABZKDDQUZXTBZ-CYBMUJFWSA-N 0 1 381.245 3.651 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233077529 1038840665 /nfs/dbraw/zinc/84/06/65/1038840665.db2.gz QVNAAWLALFTWJP-LJQANCHMSA-N 0 1 378.444 3.751 20 10 GHCDMN COc1cc(O)c(CN2CCN(C)C[C@H]2c2ccccc2)cc1Br ZINC001233134990 1038916747 /nfs/dbraw/zinc/91/67/47/1038916747.db2.gz JBDRPDFBPYCEOM-KRWDZBQOSA-N 0 1 391.309 3.652 20 10 GHCDMN CC(C)(C)c1ccc(O)c(CN2CCCn3cnc(Cn4cccn4)c3C2)c1 ZINC001233285690 1039063726 /nfs/dbraw/zinc/06/37/26/1039063726.db2.gz QGEJEEIUDDCLLJ-UHFFFAOYSA-N 0 1 379.508 3.537 20 10 GHCDMN COc1cccc(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC001233291357 1039077610 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GHCDMN C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1cc(F)cc(Cl)c1O ZINC001237801840 1042377613 /nfs/dbraw/zinc/37/76/13/1042377613.db2.gz WRLRSZWNKPDZCG-GFCCVEGCSA-N 0 1 379.863 3.885 20 10 GHCDMN CC(C)(C)OC(=O)NC1CCC2(CC1)CN(Cc1cc(F)ccc1O)CCO2 ZINC001462613585 1070413616 /nfs/dbraw/zinc/41/36/16/1070413616.db2.gz RPLPSLVTKLGYFK-UHFFFAOYSA-N 0 1 394.487 3.570 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(F)c(C)n4)C3)C2)cc1 ZINC001237812339 1042380985 /nfs/dbraw/zinc/38/09/85/1042380985.db2.gz BIBASOPWBWLKGR-HSZRJFAPSA-N 0 1 399.510 3.657 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001237938277 1042428785 /nfs/dbraw/zinc/42/87/85/1042428785.db2.gz WGUDXDUYDPPNPR-NVXWUHKLSA-N 0 1 376.859 3.522 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001237938277 1042428786 /nfs/dbraw/zinc/42/87/86/1042428786.db2.gz WGUDXDUYDPPNPR-NVXWUHKLSA-N 0 1 376.859 3.522 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237941519 1042430995 /nfs/dbraw/zinc/43/09/95/1042430995.db2.gz YAZIISFNTBQJKS-NORZTCDRSA-N 0 1 384.879 3.920 20 10 GHCDMN Cc1cc(O)c(CN2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)cc1Cl ZINC001462670955 1070459657 /nfs/dbraw/zinc/45/96/57/1070459657.db2.gz DHHFCGYDDGPJJP-INIZCTEOSA-N 0 1 398.931 3.548 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2Cl)cc1OC ZINC001257090164 1043838588 /nfs/dbraw/zinc/83/85/88/1043838588.db2.gz XQJRKEPBBZVDBA-UHFFFAOYSA-N 0 1 378.233 3.517 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC001293486851 1044207403 /nfs/dbraw/zinc/20/74/03/1044207403.db2.gz UVUAOYOVJCBFSK-UHFFFAOYSA-N 0 1 385.427 3.944 20 10 GHCDMN O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279073278 1044384675 /nfs/dbraw/zinc/38/46/75/1044384675.db2.gz AGQZDXDDEGSZRI-FQEVSTJZSA-N 0 1 378.900 3.622 20 10 GHCDMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001258920630 1044877163 /nfs/dbraw/zinc/87/71/63/1044877163.db2.gz BOZSTBYTIDVDEY-UHFFFAOYSA-N 0 1 395.411 3.710 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)c3cncc4nc[nH]c43)cc2Cl)C1 ZINC001297010102 1045423747 /nfs/dbraw/zinc/42/37/47/1045423747.db2.gz MNXNIIJKZKCOBR-ZDUSSCGKSA-N 0 1 383.883 3.778 20 10 GHCDMN COc1ccc(OCCN(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000744398624 1045666413 /nfs/dbraw/zinc/66/64/13/1045666413.db2.gz VYYJOVIQBNTDDF-UHFFFAOYSA-N 0 1 398.415 3.983 20 10 GHCDMN O=c1cccc(C[N@H+]2CCC3(CN(Cc4c([O-])ccc(Cl)c4Cl)C3)C2)[nH]1 ZINC001279676973 1047910424 /nfs/dbraw/zinc/91/04/24/1047910424.db2.gz UCOOVOGPUFSOKB-UHFFFAOYSA-N 0 1 394.302 3.508 20 10 GHCDMN O=c1cccc(C[N@@H+]2CCC3(CN(Cc4c([O-])ccc(Cl)c4Cl)C3)C2)[nH]1 ZINC001279676973 1047910427 /nfs/dbraw/zinc/91/04/27/1047910427.db2.gz UCOOVOGPUFSOKB-UHFFFAOYSA-N 0 1 394.302 3.508 20 10 GHCDMN Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c([O-])ccc(Cl)c2Cl)n(C)n1 ZINC001279676719 1047910806 /nfs/dbraw/zinc/91/08/06/1047910806.db2.gz NITVSVUGELNFTN-IRXDYDNUSA-N 0 1 395.334 3.590 20 10 GHCDMN CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684720 1047913764 /nfs/dbraw/zinc/91/37/64/1047913764.db2.gz RDZNIAKYVZODPH-LJQANCHMSA-N 0 1 383.895 3.591 20 10 GHCDMN CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684720 1047913767 /nfs/dbraw/zinc/91/37/67/1047913767.db2.gz RDZNIAKYVZODPH-LJQANCHMSA-N 0 1 383.895 3.591 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000728697065 1048243485 /nfs/dbraw/zinc/24/34/85/1048243485.db2.gz JOJZOCFLZOQNTG-SFQUDFHCSA-N 0 1 391.408 3.785 20 10 GHCDMN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288330226 1049046126 /nfs/dbraw/zinc/04/61/26/1049046126.db2.gz LHPCPDCTITUPHO-SAPNQHFASA-N 0 1 383.923 3.812 20 10 GHCDMN COc1ccc([C@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)N2CCOCC2)cc1 ZINC001308185747 1049905021 /nfs/dbraw/zinc/90/50/21/1049905021.db2.gz XZDCSRSUHFFWPJ-FQEVSTJZSA-N 0 1 390.911 3.526 20 10 GHCDMN Cc1nc2ccccn2c1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001308547251 1050005116 /nfs/dbraw/zinc/00/51/16/1050005116.db2.gz WBKXTQCPYIJRFA-UHFFFAOYSA-N 0 1 379.464 3.831 20 10 GHCDMN O=C(c1cccc2ccccc21)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC001308627032 1050038851 /nfs/dbraw/zinc/03/88/51/1050038851.db2.gz XEUUHODHUAJHDW-UHFFFAOYSA-N 0 1 382.410 3.782 20 10 GHCDMN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC001308869992 1050131625 /nfs/dbraw/zinc/13/16/25/1050131625.db2.gz UTOMYVXCEKYDRD-QGZVFWFLSA-N 0 1 391.309 3.527 20 10 GHCDMN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC001308869990 1050131634 /nfs/dbraw/zinc/13/16/34/1050131634.db2.gz UTOMYVXCEKYDRD-KRWDZBQOSA-N 0 1 391.309 3.527 20 10 GHCDMN CCOc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000755040051 1050236316 /nfs/dbraw/zinc/23/63/16/1050236316.db2.gz IESMIMGGPYFJJH-GOSISDBHSA-N 0 1 386.448 3.880 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCCCC[C@H]3c3ccco3)cc2)CC1 ZINC001313211169 1052986107 /nfs/dbraw/zinc/98/61/07/1052986107.db2.gz AXKPFPOTFIHUDS-NRFANRHFSA-N 0 1 396.535 3.858 20 10 GHCDMN CCOc1ccc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001319510358 1055297840 /nfs/dbraw/zinc/29/78/40/1055297840.db2.gz HFRCJUIHECFKOQ-UHFFFAOYSA-N 0 1 392.503 3.890 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001321845910 1056417086 /nfs/dbraw/zinc/41/70/86/1056417086.db2.gz YMLZHPFOECLZTK-UHFFFAOYSA-N 0 1 377.532 3.649 20 10 GHCDMN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(F)c1O ZINC001354764679 1056931642 /nfs/dbraw/zinc/93/16/42/1056931642.db2.gz DZRXZIHMDDXKBZ-GFCCVEGCSA-N 0 1 380.366 3.532 20 10 GHCDMN C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000848560103 1057179079 /nfs/dbraw/zinc/17/90/79/1057179079.db2.gz YKWJKTVXJCZEML-QVKFZJNVSA-N 0 1 399.922 3.781 20 10 GHCDMN Cc1cc(CC(=O)NCc2n[nH]c(C(C)C)n2)c(C)n1-c1ccc(Cl)cc1 ZINC001325231632 1057294753 /nfs/dbraw/zinc/29/47/53/1057294753.db2.gz QOTHHEWWMGXLON-UHFFFAOYSA-N 0 1 385.899 3.848 20 10 GHCDMN C[C@H](CC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001346168748 1061422660 /nfs/dbraw/zinc/42/26/60/1061422660.db2.gz OQDFDSBWPVCDHY-SECBINFHSA-N 0 1 377.268 3.619 20 10 GHCDMN Cc1oc2c(ccc([O-])c2CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c(=O)c1-c1ccccc1 ZINC001348469356 1063098296 /nfs/dbraw/zinc/09/82/96/1063098296.db2.gz FMRNEWXSPRCZHZ-XLIONFOSSA-N 0 1 390.483 3.610 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c(=O)c1-c1ccccc1 ZINC001348469356 1063098309 /nfs/dbraw/zinc/09/83/09/1063098309.db2.gz FMRNEWXSPRCZHZ-XLIONFOSSA-N 0 1 390.483 3.610 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c(=O)c1-c1ccccc1 ZINC001348469356 1063098326 /nfs/dbraw/zinc/09/83/26/1063098326.db2.gz FMRNEWXSPRCZHZ-XLIONFOSSA-N 0 1 390.483 3.610 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(C4=CCCC4)cc3)cc2)CC1 ZINC001438888430 1064133589 /nfs/dbraw/zinc/13/35/89/1064133589.db2.gz USUQNTQFBKSQMQ-UHFFFAOYSA-N 0 1 375.516 3.936 20 10 GHCDMN Oc1ccccc1CN(Cc1cccc2c1OC(F)(F)O2)C[C@H]1CCCO1 ZINC001459744829 1064197347 /nfs/dbraw/zinc/19/73/47/1064197347.db2.gz ZDFFNTWQUPLYSQ-MRXNPFEDSA-N 0 1 377.387 3.895 20 10 GHCDMN COc1ccc(N2CCN(CCC3(C(=O)OC(C)(C)C)CCC3)CC2)cc1F ZINC001459745889 1064197988 /nfs/dbraw/zinc/19/79/88/1064197988.db2.gz BBAVLDSKWSEPJE-UHFFFAOYSA-N 0 1 392.515 3.858 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C(F)(F)F)c1O ZINC000847303445 1065012867 /nfs/dbraw/zinc/01/28/67/1065012867.db2.gz CGEPTPJLRZUSDY-UHFFFAOYSA-N 0 1 394.393 3.520 20 10 GHCDMN COc1cccc(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1O ZINC000849479937 1067860221 /nfs/dbraw/zinc/86/02/21/1067860221.db2.gz YTMBDXJVTNAVON-NRFANRHFSA-N 0 1 385.508 3.607 20 10 GHCDMN COc1ccc([C@@H](CCO)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000763495889 1068073150 /nfs/dbraw/zinc/07/31/50/1068073150.db2.gz JIMSSVWMCKATRR-HXUWFJFHSA-N 0 1 399.491 3.807 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccccc3C3(C)CC3)cc2F)CC1 ZINC001359919805 1068257708 /nfs/dbraw/zinc/25/77/08/1068257708.db2.gz CDGMHWGCYBDFJS-UHFFFAOYSA-N 0 1 395.522 3.949 20 10 GHCDMN CCCc1ccc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC001359919821 1068257980 /nfs/dbraw/zinc/25/79/80/1068257980.db2.gz CRBUDWOCMZIGHR-UHFFFAOYSA-N 0 1 383.511 3.850 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](C(C)(C)C)CC3)cc2)CC1 ZINC001479185537 1079141287 /nfs/dbraw/zinc/14/12/87/1079141287.db2.gz MAXXKKPFLFDSLR-FQEVSTJZSA-N 0 1 386.584 3.796 20 10 GHCDMN O=C(c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1)N1CCC(O)CC1 ZINC001474055922 1074249942 /nfs/dbraw/zinc/24/99/42/1074249942.db2.gz XVASPQGMVASBND-UHFFFAOYSA-N 0 1 395.286 3.908 20 10 GHCDMN COc1ccc(CNCc2cccc3c2OC(F)(F)O3)cc1Cn1cccn1 ZINC001474222825 1074298541 /nfs/dbraw/zinc/29/85/41/1074298541.db2.gz JSSVFDGPFNUSST-UHFFFAOYSA-N 0 1 387.386 3.551 20 10 GHCDMN C[C@](CO)(NCc1ccc2c(c1)CCCO2)c1cccc(Br)c1 ZINC001474291873 1074327593 /nfs/dbraw/zinc/32/75/93/1074327593.db2.gz NJZIDICKFWWFAA-LJQANCHMSA-N 0 1 376.294 3.771 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1Cl ZINC001474456881 1074414942 /nfs/dbraw/zinc/41/49/42/1074414942.db2.gz SQYPBPSCLIHWJC-SFHVURJKSA-N 0 1 394.849 3.913 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C2(CC2)C1 ZINC001474753334 1074545911 /nfs/dbraw/zinc/54/59/11/1074545911.db2.gz XBKIMDSTNPLPON-HNNXBMFYSA-N 0 1 397.313 3.644 20 10 GHCDMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000740025724 600318654 /nfs/dbraw/zinc/31/86/54/600318654.db2.gz VIESPMJSUNHYQR-UHFFFAOYSA-N 0 1 397.475 3.543 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Cl)o2)C1 ZINC000683466324 837398575 /nfs/dbraw/zinc/39/85/75/837398575.db2.gz QTORNFMIRATXIQ-UHFFFAOYSA-N 0 1 385.895 3.971 20 10 GHCDMN CC(C)Oc1cccc(CNC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001167108301 836283358 /nfs/dbraw/zinc/28/33/58/836283358.db2.gz OOCRBCPQNLXGBL-UHFFFAOYSA-N 0 1 395.547 3.821 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000471495062 838527423 /nfs/dbraw/zinc/52/74/23/838527423.db2.gz GIXLYSRPEMFJAL-FQEVSTJZSA-N 0 1 380.492 3.716 20 10 GHCDMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(C)C ZINC000728696964 839376414 /nfs/dbraw/zinc/37/64/14/839376414.db2.gz BUUMDKAPEUYEFY-PDGQHHTCSA-N 0 1 380.444 3.582 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4cc(F)ccc43)cc2)CC1 ZINC001167423330 839892964 /nfs/dbraw/zinc/89/29/64/839892964.db2.gz VVQQEFMKUQXEMZ-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000706841923 840954003 /nfs/dbraw/zinc/95/40/03/840954003.db2.gz DTJUXHYMOLWAFY-LSDHHAIUSA-N 0 1 399.329 3.936 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccsc3C(F)F)cc2F)CC1 ZINC001125908250 840958586 /nfs/dbraw/zinc/95/85/86/840958586.db2.gz QCKDNOIUNQGCIO-UHFFFAOYSA-N 0 1 397.466 3.897 20 10 GHCDMN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)ccc1[O-] ZINC000756660059 841066633 /nfs/dbraw/zinc/06/66/33/841066633.db2.gz ROCLAMMWCHAFNJ-SECBINFHSA-N 0 1 378.192 3.764 20 10 GHCDMN Cc1noc2ncc(CNCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc12 ZINC000894193957 844614555 /nfs/dbraw/zinc/61/45/55/844614555.db2.gz WPRLSNGRUXWMLK-KBPBESRZSA-N 0 1 384.455 3.574 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(Br)ccc1[O-] ZINC000273575716 847375846 /nfs/dbraw/zinc/37/58/46/847375846.db2.gz LTQVXZVZTUMWKQ-GFCCVEGCSA-N 0 1 389.293 3.898 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131232684 861917611 /nfs/dbraw/zinc/91/76/11/861917611.db2.gz KEOHJVUJVXHEEP-GFCCVEGCSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131232684 861917623 /nfs/dbraw/zinc/91/76/23/861917623.db2.gz KEOHJVUJVXHEEP-GFCCVEGCSA-N 0 1 378.822 3.668 20 10 GHCDMN Cc1ccc(CN(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000443927353 862176823 /nfs/dbraw/zinc/17/68/23/862176823.db2.gz YWOLFUXRKTXFMX-UHFFFAOYSA-N 0 1 379.504 3.968 20 10 GHCDMN COC(C)(C)C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435825557 850909003 /nfs/dbraw/zinc/90/90/03/850909003.db2.gz LCGBEFSIPBCADH-KRWDZBQOSA-N 0 1 385.552 3.728 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000435917663 850988891 /nfs/dbraw/zinc/98/88/91/850988891.db2.gz RDNGOZDWXKOWFN-RFLWCCGPSA-N 0 1 399.538 3.862 20 10 GHCDMN COC[C@@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000436013767 851094914 /nfs/dbraw/zinc/09/49/14/851094914.db2.gz ZTHQGZFQNHFHOA-LJQANCHMSA-N 0 1 397.563 3.683 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCCS2)C1 ZINC000436024941 851111519 /nfs/dbraw/zinc/11/15/19/851111519.db2.gz ZXHLKANYSVIUBK-QGZVFWFLSA-N 0 1 385.577 3.810 20 10 GHCDMN COc1cc(Cl)cc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280812734 855297869 /nfs/dbraw/zinc/29/78/69/855297869.db2.gz UKFMMEJLWDYSNR-ACJLOTCBSA-N 0 1 397.924 3.627 20 10 GHCDMN COc1cc(Cl)cc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280812744 855297893 /nfs/dbraw/zinc/29/78/93/855297893.db2.gz UKFMMEJLWDYSNR-SCLBCKFNSA-N 0 1 397.924 3.627 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3c[nH]c4cc(F)ccc34)cc2F)CC1 ZINC000765844509 855471955 /nfs/dbraw/zinc/47/19/55/855471955.db2.gz KSNCYLOEUMFUNX-UHFFFAOYSA-N 0 1 398.457 3.518 20 10 GHCDMN CC[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C)cc1O ZINC000280894780 862735498 /nfs/dbraw/zinc/73/54/98/862735498.db2.gz FILODFAIEOKMJK-RDJZCZTQSA-N 0 1 377.282 3.730 20 10 GHCDMN CCN(CC)[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000729527987 856413537 /nfs/dbraw/zinc/41/35/37/856413537.db2.gz WBHBFVZQSHPEDM-AUSIDOKSSA-N 0 1 395.547 3.784 20 10 GHCDMN Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000733327541 862869229 /nfs/dbraw/zinc/86/92/29/862869229.db2.gz UUOMJJJVUAHSFJ-UHFFFAOYSA-N 0 1 383.673 3.845 20 10 GHCDMN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2ccccc2o1 ZINC000765979068 859228168 /nfs/dbraw/zinc/22/81/68/859228168.db2.gz HXDQYYBQNJJDSL-INIZCTEOSA-N 0 1 384.501 3.518 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000761214439 859305214 /nfs/dbraw/zinc/30/52/14/859305214.db2.gz BOGPOMVNBKHXEM-CHWSQXEVSA-N 0 1 384.904 3.789 20 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QOCBQDIRVAZYKG-UHFFFAOYSA-N 0 1 387.281 3.630 20 10 GHCDMN COc1cc(N2CCN(Cc3coc4ccccc34)CC2)cc(OC)c1OC ZINC000184752300 864911076 /nfs/dbraw/zinc/91/10/76/864911076.db2.gz OCALZKFJOZCYLL-UHFFFAOYSA-N 0 1 382.460 3.781 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000736068977 865122630 /nfs/dbraw/zinc/12/26/30/865122630.db2.gz FGCWCRWKIUCXMM-LJQANCHMSA-N 0 1 379.548 3.936 20 10 GHCDMN O=C(c1cnc(-c2ccccc2)[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000736673823 865262823 /nfs/dbraw/zinc/26/28/23/865262823.db2.gz OSVWNYCVRMEDQR-SFHVURJKSA-N 0 1 377.444 3.604 20 10 GHCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185123029 865332760 /nfs/dbraw/zinc/33/27/60/865332760.db2.gz KWSUKZPWWGTHOJ-HUUCEWRRSA-N 0 1 384.501 3.865 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCC3CCCCC3)cc2F)CC1 ZINC000303351904 866165639 /nfs/dbraw/zinc/16/56/39/866165639.db2.gz YNNBKEPPTNJQCM-UHFFFAOYSA-N 0 1 375.532 3.944 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@H](NCc3cn(-c4ccccc4)nn3)C2)cc1 ZINC000742385029 867251238 /nfs/dbraw/zinc/25/12/38/867251238.db2.gz PYAKSPHOQWQBIY-INIZCTEOSA-N 0 1 399.445 3.627 20 10 GHCDMN Cc1c(C)c(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1C ZINC000743046353 867781101 /nfs/dbraw/zinc/78/11/01/867781101.db2.gz CIHIBLPWIRICJZ-UHFFFAOYSA-N 0 1 390.534 3.887 20 10 GHCDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1N1C(=O)CNC1=O ZINC000793358564 882121816 /nfs/dbraw/zinc/12/18/16/882121816.db2.gz QZGJCBMXJXDPDE-UHFFFAOYSA-N 0 1 380.231 3.676 20 10 GHCDMN CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000743673676 868342831 /nfs/dbraw/zinc/34/28/31/868342831.db2.gz OCDBRVMRFHWQCF-SJORKVTESA-N 0 1 378.536 3.592 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000743870817 868468170 /nfs/dbraw/zinc/46/81/70/868468170.db2.gz CACUHZOOGAYDGC-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000743870817 868468176 /nfs/dbraw/zinc/46/81/76/868468176.db2.gz CACUHZOOGAYDGC-KRWDZBQOSA-N 0 1 386.236 3.988 20 10 GHCDMN C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000091949041 882220206 /nfs/dbraw/zinc/22/02/06/882220206.db2.gz NBDAZKMHBPJSNB-CQSZACIVSA-N 0 1 395.341 3.625 20 10 GHCDMN Cc1ccc(F)c(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857472009 882286130 /nfs/dbraw/zinc/28/61/30/882286130.db2.gz DPABKYYBWGMADI-SFHVURJKSA-N 0 1 390.886 3.816 20 10 GHCDMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000793612240 882330311 /nfs/dbraw/zinc/33/03/11/882330311.db2.gz SDIUFWOXIKHEAW-GUYCJALGSA-N 0 1 392.293 3.665 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000775523660 870312548 /nfs/dbraw/zinc/31/25/48/870312548.db2.gz MEYXRKUIMDNTSS-HHXXYDBFSA-N 0 1 394.309 3.680 20 10 GHCDMN COc1cccc([C@@H]2CSCCN2C(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193611963 871187224 /nfs/dbraw/zinc/18/72/24/871187224.db2.gz KILZIDVUULKBOO-HNNXBMFYSA-N 0 1 379.865 3.690 20 10 GHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001193611467 871187740 /nfs/dbraw/zinc/18/77/40/871187740.db2.gz GMLUPRFJCHXHFJ-UHFFFAOYSA-N 0 1 390.650 3.693 20 10 GHCDMN O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193605948 871213619 /nfs/dbraw/zinc/21/36/19/871213619.db2.gz OBPPJLKQHJJMPH-UHFFFAOYSA-N 0 1 380.791 3.713 20 10 GHCDMN C[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)ccc1O ZINC000857874862 882603526 /nfs/dbraw/zinc/60/35/26/882603526.db2.gz CEZKNBHEQOACQL-GTNSWQLSSA-N 0 1 375.266 3.519 20 10 GHCDMN CC[C@H]1COCCN1Cc1cc(Br)cc(Br)c1O ZINC000775656630 872391370 /nfs/dbraw/zinc/39/13/70/872391370.db2.gz XVOGFVPWQXQZMC-NSHDSACASA-N 0 1 379.092 3.528 20 10 GHCDMN COc1ccccc1CN(Cc1cc(OC)c(OC)cc1O)C[C@@H]1CCCO1 ZINC000775656431 872398391 /nfs/dbraw/zinc/39/83/91/872398391.db2.gz GPSSDJOVIRCGBF-SFHVURJKSA-N 0 1 387.476 3.599 20 10 GHCDMN Cc1cc(Br)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775661738 872475441 /nfs/dbraw/zinc/47/54/41/872475441.db2.gz QYNRDALLDFXXDS-AWEZNQCLSA-N 0 1 385.302 3.562 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@H](CO)C(C)(C)C ZINC000775734634 873264272 /nfs/dbraw/zinc/26/42/72/873264272.db2.gz UOUQFBNOLWPPDL-LBPRGKRZSA-N 0 1 395.135 3.756 20 10 GHCDMN C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@H]21 ZINC001197178852 873616692 /nfs/dbraw/zinc/61/66/92/873616692.db2.gz RHRUBYAPXBZDSP-SWDLQAMJSA-N 0 1 384.505 3.817 20 10 GHCDMN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@H]21 ZINC001197178852 873616694 /nfs/dbraw/zinc/61/66/94/873616694.db2.gz RHRUBYAPXBZDSP-SWDLQAMJSA-N 0 1 384.505 3.817 20 10 GHCDMN C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913262 873681812 /nfs/dbraw/zinc/68/18/12/873681812.db2.gz XEWSMVKIWYVSHY-YJBOKZPZSA-N 0 1 388.895 3.594 20 10 GHCDMN COc1cc2c(cc1OC)CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000769107537 873812483 /nfs/dbraw/zinc/81/24/83/873812483.db2.gz WDUOFHAPGRNHPF-UHFFFAOYSA-N 0 1 392.293 3.773 20 10 GHCDMN Cc1ccc(-c2noc(CN3CCN(Cc4cc(C)c(C)cc4O)CC3)n2)cc1 ZINC000023271881 874212416 /nfs/dbraw/zinc/21/24/16/874212416.db2.gz BVJUJLKLUSNNRN-UHFFFAOYSA-N 0 1 392.503 3.685 20 10 GHCDMN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691475645 874307043 /nfs/dbraw/zinc/30/70/43/874307043.db2.gz CWHZNKOHKUMPBQ-UHFFFAOYSA-N 0 1 397.313 3.812 20 10 GHCDMN CN(C)c1cc(F)c(CNc2ccc(CCN3CCOCC3)cc2)cc1F ZINC000858104536 882850057 /nfs/dbraw/zinc/85/00/57/882850057.db2.gz OEXKTBCXODFZGH-UHFFFAOYSA-N 0 1 375.463 3.518 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1[O-] ZINC000775928842 874788902 /nfs/dbraw/zinc/78/89/02/874788902.db2.gz FKEAHJIFLHLALA-INIZCTEOSA-N 0 1 381.451 3.996 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1[O-] ZINC000775928842 874788911 /nfs/dbraw/zinc/78/89/11/874788911.db2.gz FKEAHJIFLHLALA-INIZCTEOSA-N 0 1 381.451 3.996 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cc4ccccc4[nH]c3=O)cc2F)C[C@H](C)O1 ZINC001199413426 874976930 /nfs/dbraw/zinc/97/69/30/874976930.db2.gz OFIOWHKQZUOEHA-HOTGVXAUSA-N 0 1 395.478 3.983 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2[nH]ccc2c1 ZINC000771064144 875017010 /nfs/dbraw/zinc/01/70/10/875017010.db2.gz IXOFKEDDMDEWMB-GOSISDBHSA-N 0 1 383.879 3.921 20 10 GHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ns2)C1 ZINC000804445730 882888317 /nfs/dbraw/zinc/88/83/17/882888317.db2.gz MKIGVTFOOJZJDP-NSHDSACASA-N 0 1 392.834 3.992 20 10 GHCDMN Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2nc(C(F)(F)F)ns2)C1 ZINC000804445730 882888334 /nfs/dbraw/zinc/88/83/34/882888334.db2.gz MKIGVTFOOJZJDP-NSHDSACASA-N 0 1 392.834 3.992 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1N1CCCCC1 ZINC000771200234 875081371 /nfs/dbraw/zinc/08/13/71/875081371.db2.gz QKAOJYPTFJEQJI-JOCHJYFZSA-N 0 1 381.476 3.509 20 10 GHCDMN Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771651249 875359613 /nfs/dbraw/zinc/35/96/13/875359613.db2.gz VJUDJLXDIQJWRF-KRWDZBQOSA-N 0 1 376.859 3.888 20 10 GHCDMN CCS(=O)(=O)c1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)s1 ZINC000850281172 876777485 /nfs/dbraw/zinc/77/74/85/876777485.db2.gz AZNRESLRJPHQOA-UHFFFAOYSA-N 0 1 397.562 3.843 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787292283 877298519 /nfs/dbraw/zinc/29/85/19/877298519.db2.gz ZSLIOORAIBJIEP-CQSZACIVSA-N 0 1 381.245 3.732 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cnc(-c2ccc(Cl)cc2)s1 ZINC000789145232 878672692 /nfs/dbraw/zinc/67/26/92/878672692.db2.gz ZZHWYGQGHZZTJO-YBEGLDIGSA-N 0 1 381.844 3.925 20 10 GHCDMN CCN(C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)CC(F)(F)F ZINC000093770954 912431406 /nfs/dbraw/zinc/43/14/06/912431406.db2.gz XXHMKQQGFUZHHK-LLVKDONJSA-N 0 1 395.809 3.660 20 10 GHCDMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])cn1 ZINC000792184348 880973137 /nfs/dbraw/zinc/97/31/37/880973137.db2.gz ACSPMUFYYHOKCJ-HXUWFJFHSA-N 0 1 385.895 3.998 20 10 GHCDMN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c(O)c1 ZINC000792188345 880975682 /nfs/dbraw/zinc/97/56/82/880975682.db2.gz ODPRPEYDUZIEOM-QHCPKHFHSA-N 0 1 395.503 3.743 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCc2ccccc2NC1=O ZINC000792233672 880993942 /nfs/dbraw/zinc/99/39/42/880993942.db2.gz SHVKZJNVCZUZDV-QGZVFWFLSA-N 0 1 389.293 3.930 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCc2ccccc2NC1=O ZINC000792233672 880993950 /nfs/dbraw/zinc/99/39/50/880993950.db2.gz SHVKZJNVCZUZDV-QGZVFWFLSA-N 0 1 389.293 3.930 20 10 GHCDMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000858543300 883185873 /nfs/dbraw/zinc/18/58/73/883185873.db2.gz RSMXRAYTGHIVGB-QGZVFWFLSA-N 0 1 397.544 3.853 20 10 GHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCCCC2 ZINC000804899102 883464443 /nfs/dbraw/zinc/46/44/43/883464443.db2.gz AWNRGAMFFHUANQ-SNVBAGLBSA-N 0 1 398.294 3.577 20 10 GHCDMN O=C(NCc1ccccc1-n1ccnc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804981237 883526952 /nfs/dbraw/zinc/52/69/52/883526952.db2.gz SDDJBKPCZBPTEH-UHFFFAOYSA-N 0 1 391.258 3.884 20 10 GHCDMN COC[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805168622 883652306 /nfs/dbraw/zinc/65/23/06/883652306.db2.gz JXHKWQPWORBGNN-HNNXBMFYSA-N 0 1 383.275 3.756 20 10 GHCDMN CO[C@@H](C)c1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000805177688 883657536 /nfs/dbraw/zinc/65/75/36/883657536.db2.gz KSDIGOWBWLAAQE-QMMMGPOBSA-N 0 1 390.292 3.862 20 10 GHCDMN CO[C@H](C)c1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000805177687 883658127 /nfs/dbraw/zinc/65/81/27/883658127.db2.gz KSDIGOWBWLAAQE-MRVPVSSYSA-N 0 1 390.292 3.862 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236067 912780001 /nfs/dbraw/zinc/78/00/01/912780001.db2.gz IPLMKJDBONSKPO-KRWDZBQOSA-N 0 1 393.261 3.921 20 10 GHCDMN COc1ccccc1[C@@H](NCc1c(O)ccc(Cl)c1F)c1noc(C)n1 ZINC000191054213 884151058 /nfs/dbraw/zinc/15/10/58/884151058.db2.gz GKZOOYMLVZJTEB-QGZVFWFLSA-N 0 1 377.803 3.764 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000806131499 884349141 /nfs/dbraw/zinc/34/91/41/884349141.db2.gz KGFBHDAOLNSCPD-LJQANCHMSA-N 0 1 388.943 3.823 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000806304525 884547688 /nfs/dbraw/zinc/54/76/88/884547688.db2.gz MAWWXZCFSUKVRC-UHFFFAOYSA-N 0 1 380.231 3.905 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761981902 885086711 /nfs/dbraw/zinc/08/67/11/885086711.db2.gz JNLGNDRFQOGAGV-IQIBNGDESA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981902 885086725 /nfs/dbraw/zinc/08/67/25/885086725.db2.gz JNLGNDRFQOGAGV-IQIBNGDESA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1cccs1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981902 885086735 /nfs/dbraw/zinc/08/67/35/885086735.db2.gz JNLGNDRFQOGAGV-IQIBNGDESA-N 0 1 376.909 3.901 20 10 GHCDMN CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840680 885769668 /nfs/dbraw/zinc/76/96/68/885769668.db2.gz HVXBIHQXOVIBFR-UHFFFAOYSA-N 0 1 391.295 3.866 20 10 GHCDMN CN1C(=O)CCc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000807840421 885770965 /nfs/dbraw/zinc/77/09/65/885770965.db2.gz BZGMLIBQRKIBLQ-UHFFFAOYSA-N 0 1 379.243 3.538 20 10 GHCDMN CC(=O)CCc1ccc(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807835095 885799276 /nfs/dbraw/zinc/79/92/76/885799276.db2.gz VKEAVUIZUKQCQJ-UHFFFAOYSA-N 0 1 396.270 3.916 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(-c2ccccc2Cl)nn1 ZINC000807833966 885799324 /nfs/dbraw/zinc/79/93/24/885799324.db2.gz HZGUJRNEFKGXTP-UHFFFAOYSA-N 0 1 397.649 3.863 20 10 GHCDMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839317 885805966 /nfs/dbraw/zinc/80/59/66/885805966.db2.gz BXILNCNPTFZKHX-NWDGAFQWSA-N 0 1 387.307 3.600 20 10 GHCDMN O=C(Cc1cnn(-c2ccccc2)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839220 885806015 /nfs/dbraw/zinc/80/60/15/885806015.db2.gz AAIFTCWHUOOEMB-UHFFFAOYSA-N 0 1 376.243 3.744 20 10 GHCDMN CC(C)(C)OC(=O)N1CC(CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839188 885806058 /nfs/dbraw/zinc/80/60/58/885806058.db2.gz JRDYSMXOXRMNBK-UHFFFAOYSA-N 0 1 389.279 3.572 20 10 GHCDMN CC(C)(C)OC(=O)N(CC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807839134 885806477 /nfs/dbraw/zinc/80/64/77/885806477.db2.gz IKFQUPXYLAHWPP-UHFFFAOYSA-N 0 1 389.279 3.715 20 10 GHCDMN CN(C)C(=O)Nc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807839168 885806561 /nfs/dbraw/zinc/80/65/61/885806561.db2.gz IUQUKJOMIVYTME-UHFFFAOYSA-N 0 1 382.247 3.723 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808141927 886043892 /nfs/dbraw/zinc/04/38/92/886043892.db2.gz HFHRHQNDBNTILN-NRFANRHFSA-N 0 1 380.536 3.925 20 10 GHCDMN CCN(C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1)CC(F)(F)F ZINC000862250360 886252928 /nfs/dbraw/zinc/25/29/28/886252928.db2.gz NQCJJVSAGJPSMR-CYBMUJFWSA-N 0 1 379.417 3.737 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nn1-c1ccc(F)cc1F ZINC000808448042 886357993 /nfs/dbraw/zinc/35/79/93/886357993.db2.gz WDLFGJLCLBVFSR-UHFFFAOYSA-N 0 1 397.473 3.823 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485330 886406406 /nfs/dbraw/zinc/40/64/06/886406406.db2.gz KSCWDTBLVVDZFC-OCCSQVGLSA-N 0 1 384.314 3.954 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862496644 886416145 /nfs/dbraw/zinc/41/61/45/886416145.db2.gz BPBYUDQYOGZBBT-JKSUJKDBSA-N 0 1 396.270 3.793 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1cc(Br)ccc1[O-] ZINC000808724186 886708122 /nfs/dbraw/zinc/70/81/22/886708122.db2.gz UDFFCLDYHUYKSK-HNONPPJISA-N 0 1 395.341 3.842 20 10 GHCDMN Cn1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(-c2cccs2)n1 ZINC000809712439 887732409 /nfs/dbraw/zinc/73/24/09/887732409.db2.gz MZSOMDIJMRCTIM-UHFFFAOYSA-N 0 1 378.295 3.907 20 10 GHCDMN Cn1c(CNCc2cc(Br)ccc2O)nc2ccc(Cl)cc21 ZINC000809713096 887733920 /nfs/dbraw/zinc/73/39/20/887733920.db2.gz ILUAYWMOCAQLMF-UHFFFAOYSA-N 0 1 380.673 3.985 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000809712836 887734169 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CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000811515017 889711721 /nfs/dbraw/zinc/71/17/21/889711721.db2.gz SZOFRGKELCWOGW-OAHLLOKOSA-N 0 1 389.437 3.562 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)[C@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001132899360 889782650 /nfs/dbraw/zinc/78/26/50/889782650.db2.gz SZXFPOUEKPCEKJ-JOCHJYFZSA-N 0 1 395.547 3.611 20 10 GHCDMN COCCOc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000916835359 890270400 /nfs/dbraw/zinc/27/04/00/890270400.db2.gz VADORCGNIVTCOS-UHFFFAOYSA-N 0 1 399.491 3.900 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CC(C)(C)CO2)C1 ZINC001133492122 891063514 /nfs/dbraw/zinc/06/35/14/891063514.db2.gz VJRZNEZWVPWBNG-GOSISDBHSA-N 0 1 397.563 3.729 20 10 GHCDMN COc1cc(C)cc(CN2CCN(CCOc3ccccc3Cl)CC2)c1O ZINC000813182051 891347236 /nfs/dbraw/zinc/34/72/36/891347236.db2.gz BVZZAMIENWCTAU-UHFFFAOYSA-N 0 1 390.911 3.559 20 10 GHCDMN COc1ccc(CNCC(=O)Nc2c(C)cc(C)cc2C)cc1Cn1cccn1 ZINC000873007494 891423349 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20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000918184535 893322037 /nfs/dbraw/zinc/32/20/37/893322037.db2.gz HTCPCPBVALUEIS-HXUWFJFHSA-N 0 1 384.524 3.762 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000825954815 893560034 /nfs/dbraw/zinc/56/00/34/893560034.db2.gz BCEDAECQAVLWJF-CYBMUJFWSA-N 0 1 379.273 3.910 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cccc(O)c2)C1 ZINC000563776039 894176412 /nfs/dbraw/zinc/17/64/12/894176412.db2.gz UPOQEIPWCSZJQI-UHFFFAOYSA-N 0 1 391.515 3.772 20 10 GHCDMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000816519121 894895633 /nfs/dbraw/zinc/89/56/33/894895633.db2.gz ZJJGGNMSDHZWSZ-UHFFFAOYSA-N 0 1 394.874 3.914 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608033 894968662 /nfs/dbraw/zinc/96/86/62/894968662.db2.gz MUHXJSTVESHEDG-CQSZACIVSA-N 0 1 380.410 3.826 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816608033 894968673 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Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824637000 899729861 /nfs/dbraw/zinc/72/98/61/899729861.db2.gz WBADRPZPISGMIF-VQIMIIECSA-N 0 1 394.284 3.763 20 10 GHCDMN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(Br)cc1O ZINC000824938543 899898165 /nfs/dbraw/zinc/89/81/65/899898165.db2.gz KUMIPVUZDMGJOW-UHFFFAOYSA-N 0 1 378.192 3.539 20 10 GHCDMN O=C(c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1)N1CCCC1 ZINC000825038375 899946501 /nfs/dbraw/zinc/94/65/01/899946501.db2.gz ZWPJNEYHQONMMT-UHFFFAOYSA-N 0 1 389.293 3.681 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000825122285 899992555 /nfs/dbraw/zinc/99/25/55/899992555.db2.gz ZHGWPSHAIYGZSM-NSHDSACASA-N 0 1 375.266 3.890 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825337248 900101542 /nfs/dbraw/zinc/10/15/42/900101542.db2.gz FIPZOBJCCBJTQS-SNVBAGLBSA-N 0 1 393.119 3.512 20 10 GHCDMN CC(C)C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)Nc1nccs1 ZINC000825379053 900133324 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OC[C@@H]1CCC[C@@H](C(F)(F)F)N1Cc1cc(Br)c(F)cc1O ZINC001144299295 901649726 /nfs/dbraw/zinc/64/97/26/901649726.db2.gz VDDKSXDCLHMIIL-ZANVPECISA-N 0 1 386.183 3.572 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001144300566 901671588 /nfs/dbraw/zinc/67/15/88/901671588.db2.gz AOJSDZRBYHQHII-UHFFFAOYSA-N 0 1 392.272 3.562 20 10 GHCDMN COc1cc(OC)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000845902193 902515241 /nfs/dbraw/zinc/51/52/41/902515241.db2.gz BMBXCEYGRSRYJV-QGZVFWFLSA-N 0 1 375.440 3.730 20 10 GHCDMN COc1ccc(C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)nc1 ZINC000845997038 902613070 /nfs/dbraw/zinc/61/30/70/902613070.db2.gz WPWLRLBOBOHHEQ-UHFFFAOYSA-N 0 1 377.282 3.938 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1[O-] ZINC000847009672 903391866 /nfs/dbraw/zinc/39/18/66/903391866.db2.gz UCINAFKSRAWFEN-UHFFFAOYSA-N 0 1 392.471 3.567 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203645507 914804417 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/nfs/dbraw/zinc/88/33/61/914883361.db2.gz NRSPUQSETNZATQ-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000775490837 918272311 /nfs/dbraw/zinc/27/23/11/918272311.db2.gz DTVBBHVISMGCKO-KRWDZBQOSA-N 0 1 382.913 3.537 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775494288 918297956 /nfs/dbraw/zinc/29/79/56/918297956.db2.gz ZBIHMXFRTUUISA-GOSISDBHSA-N 0 1 376.884 3.754 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000281401275 919590219 /nfs/dbraw/zinc/59/02/19/919590219.db2.gz YSMPJVFWVSAGJJ-KRWDZBQOSA-N 0 1 380.467 3.699 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372909199 925768834 /nfs/dbraw/zinc/76/88/34/925768834.db2.gz VVXSVQXZADLJOQ-JOCHJYFZSA-N 0 1 386.455 3.969 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000726985125 926973187 /nfs/dbraw/zinc/97/31/87/926973187.db2.gz HJZVEAKHKKOTQJ-IBGZPJMESA-N 0 1 396.579 3.583 20 10 GHCDMN Cc1cc2cc(CNCc3ccc(N4CCS(=O)(=O)CC4)cc3)oc2cc1C ZINC000749285039 927032767 /nfs/dbraw/zinc/03/27/67/927032767.db2.gz ICJQBPVHKSKWMQ-UHFFFAOYSA-N 0 1 398.528 3.574 20 10 GHCDMN Cc1cc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749510940 927160061 /nfs/dbraw/zinc/16/00/61/927160061.db2.gz JPYKHZHOIVBQAV-OAQYLSRUSA-N 0 1 395.547 3.505 20 10 GHCDMN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000750823878 927876429 /nfs/dbraw/zinc/87/64/29/927876429.db2.gz XPOGMZGVAGKRDJ-MRXNPFEDSA-N 0 1 378.488 3.642 20 10 GHCDMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000750823878 927876438 /nfs/dbraw/zinc/87/64/38/927876438.db2.gz XPOGMZGVAGKRDJ-MRXNPFEDSA-N 0 1 378.488 3.642 20 10 GHCDMN CCCCCCNC(=O)[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000750823878 927876448 /nfs/dbraw/zinc/87/64/48/927876448.db2.gz XPOGMZGVAGKRDJ-MRXNPFEDSA-N 0 1 378.488 3.642 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC34CCCCC4)ccc21 ZINC000467464932 929098127 /nfs/dbraw/zinc/09/81/27/929098127.db2.gz DPSBSJQXEHZJCA-UHFFFAOYSA-N 0 1 397.563 3.995 20 10 GHCDMN CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000753585502 929429808 /nfs/dbraw/zinc/42/98/08/929429808.db2.gz IKDVKSBINGVTBT-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000753585502 929429813 /nfs/dbraw/zinc/42/98/13/929429813.db2.gz IKDVKSBINGVTBT-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000757866933 929832462 /nfs/dbraw/zinc/83/24/62/929832462.db2.gz GWANDLFUBHIEAL-FOIQADDNSA-N 0 1 391.475 3.639 20 10 GHCDMN CN(CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCSC1 ZINC000758005451 929885774 /nfs/dbraw/zinc/88/57/74/929885774.db2.gz XWUPXCAACWSRBA-FQEVSTJZSA-N 0 1 375.582 3.509 20 10 GHCDMN CC(C)n1cc([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000924907546 931581039 /nfs/dbraw/zinc/58/10/39/931581039.db2.gz RPUMOUCRGQJKNU-AWEZNQCLSA-N 0 1 379.455 3.780 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCSC2)C1 ZINC000557983667 931786331 /nfs/dbraw/zinc/78/63/31/931786331.db2.gz MNQACKHIOXSLRG-KRWDZBQOSA-N 0 1 385.577 3.667 20 10 GHCDMN Cn1nccc1[C@H]1CCCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150165 932889443 /nfs/dbraw/zinc/88/94/43/932889443.db2.gz LOJIINUDDUIQRO-HXUWFJFHSA-N 0 1 391.471 3.790 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC001118007689 934077787 /nfs/dbraw/zinc/07/77/87/934077787.db2.gz UZPNTABQQDVSKM-UHFFFAOYSA-N 0 1 386.801 3.892 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C3[C@H]4CCCCCC[C@H]34)CC2)cc1 ZINC001124585471 935420216 /nfs/dbraw/zinc/42/02/16/935420216.db2.gz PJISCWNIWHPSBP-VXKWHMMOSA-N 0 1 399.579 3.540 20 10 GHCDMN CCOc1ccc(O)c(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1 ZINC000828052667 935570414 /nfs/dbraw/zinc/57/04/14/935570414.db2.gz MHVJEAXOTIKQDA-UHFFFAOYSA-N 0 1 383.423 3.754 20 10 GHCDMN Cc1cc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N1CCCCC1 ZINC000828337739 935615070 /nfs/dbraw/zinc/61/50/70/935615070.db2.gz ANVRNYPTMDJAEW-NHCUHLMSSA-N 0 1 378.582 3.773 20 10 GHCDMN COC1CCN(c2ccc(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000828511056 935648884 /nfs/dbraw/zinc/64/88/84/935648884.db2.gz IQLHCZNVFWHRRD-XMMPIXPASA-N 0 1 379.548 3.791 20 10 GHCDMN Cc1cc(CN2CCN(c3ccc(Cl)nn3)CC2)c(C)n1-c1ccccc1 ZINC001137859273 935829732 /nfs/dbraw/zinc/82/97/32/935829732.db2.gz QYZIJSJWCXUOLL-UHFFFAOYSA-N 0 1 381.911 3.860 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C(=O)[O-])c3cccnc23)cc1 ZINC001599584375 993592642 /nfs/dbraw/zinc/59/26/42/993592642.db2.gz QIHIHXSXGKTITM-UHFFFAOYSA-N 0 1 379.460 3.510 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C(C)=O)c2ccccc2)c1O ZINC001227495331 1032440916 /nfs/dbraw/zinc/44/09/16/1032440916.db2.gz PZWLSZPDWAGBMR-CQSZACIVSA-N 0 1 392.429 3.516 20 10 GHCDMN CC(C)Cn1ncc(NCc2ccc(N3CCN(C)CC3)cc2)c1C(F)F ZINC000778111967 1018596654 /nfs/dbraw/zinc/59/66/54/1018596654.db2.gz ZIFKLXBFNXEWPH-UHFFFAOYSA-N 0 1 377.483 3.841 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001204338247 1032779449 /nfs/dbraw/zinc/77/94/49/1032779449.db2.gz BEQLYMFUGYVOET-INIZCTEOSA-N 0 1 396.256 3.956 20 10 GHCDMN CC(C)(C)[NH+]1CCC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CC1 ZINC001228108058 1032785738 /nfs/dbraw/zinc/78/57/38/1032785738.db2.gz BZQJTBQLFAGAAQ-UHFFFAOYSA-N 0 1 385.460 3.676 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4nc(C)cs4)C3)C2)cc1 ZINC001204377309 1032817462 /nfs/dbraw/zinc/81/74/62/1032817462.db2.gz SZMFOHBUUQWOKQ-OAQYLSRUSA-N 0 1 387.549 3.579 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001140338317 1021443308 /nfs/dbraw/zinc/44/33/08/1021443308.db2.gz FSEQMADZFYAPKK-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001140338317 1021443309 /nfs/dbraw/zinc/44/33/09/1021443309.db2.gz FSEQMADZFYAPKK-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN Cc1ncccc1NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000835071093 1021863805 /nfs/dbraw/zinc/86/38/05/1021863805.db2.gz MVYNOYGTXNHVQH-ZDUSSCGKSA-N 0 1 380.414 3.592 20 10 GHCDMN Cc1nc(COC[C@H]2Cn3ccnc3CN(Cc3cc(C)ccc3O)C2)cs1 ZINC001140620127 1022090723 /nfs/dbraw/zinc/09/07/23/1022090723.db2.gz CXJWQBNEJJCRNQ-QGZVFWFLSA-N 0 1 398.532 3.511 20 10 GHCDMN Cc1nn(C)c(C)c1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001203066480 1022528428 /nfs/dbraw/zinc/52/84/28/1022528428.db2.gz FOAVUPBBFFBDDT-UHFFFAOYSA-N 0 1 390.531 3.938 20 10 GHCDMN CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141030832 1023295997 /nfs/dbraw/zinc/29/59/97/1023295997.db2.gz MWDHVMJHCOWSOA-QAQDUYKDSA-N 0 1 393.524 3.991 20 10 GHCDMN CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141030832 1023296006 /nfs/dbraw/zinc/29/60/06/1023296006.db2.gz MWDHVMJHCOWSOA-QAQDUYKDSA-N 0 1 393.524 3.991 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030929 1023297488 /nfs/dbraw/zinc/29/74/88/1023297488.db2.gz RAPKDNJYCDKQQJ-UGKGYDQZSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030929 1023297496 /nfs/dbraw/zinc/29/74/96/1023297496.db2.gz RAPKDNJYCDKQQJ-UGKGYDQZSA-N 0 1 399.487 3.721 20 10 GHCDMN COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756538524 1023705293 /nfs/dbraw/zinc/70/52/93/1023705293.db2.gz CFLZOEUTGKAZKE-FZMZJTMJSA-N 0 1 378.266 3.818 20 10 GHCDMN COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000756635723 1023747444 /nfs/dbraw/zinc/74/74/44/1023747444.db2.gz HGJUIXRALBNZOY-ZFWWWQNUSA-N 0 1 379.884 3.565 20 10 GHCDMN CN1CCN(c2ccc(CNc3ncnc4sc5c(c43)CCC5)cc2)CC1 ZINC001156658603 1033161272 /nfs/dbraw/zinc/16/12/72/1033161272.db2.gz XBWQUKVUSAKUET-UHFFFAOYSA-N 0 1 379.533 3.544 20 10 GHCDMN C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756709615 1023784166 /nfs/dbraw/zinc/78/41/66/1023784166.db2.gz XHNSMHKQJFYNJU-GFCCVEGCSA-N 0 1 395.272 3.765 20 10 GHCDMN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756767239 1023807163 /nfs/dbraw/zinc/80/71/63/1023807163.db2.gz DXTBGJUKODRKSZ-RYUDHWBXSA-N 0 1 387.318 3.966 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccnc4ccc(OC)cc34)CC2)c(C)c1 ZINC001141151958 1023977398 /nfs/dbraw/zinc/97/73/98/1023977398.db2.gz DGNJCPCQIKOWTJ-UHFFFAOYSA-N 0 1 377.488 3.883 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccnc4ccc(OC)cc34)CC2)cc1 ZINC001141152030 1023977656 /nfs/dbraw/zinc/97/76/56/1023977656.db2.gz GLPYNWJTHHCGMX-UHFFFAOYSA-N 0 1 377.488 3.964 20 10 GHCDMN O=C(CCCc1cccnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544973 1023978726 /nfs/dbraw/zinc/97/87/26/1023978726.db2.gz VAMHGGGDXATBPV-LJQANCHMSA-N 0 1 387.911 3.544 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001138127071 1024174108 /nfs/dbraw/zinc/17/41/08/1024174108.db2.gz OKNOSUNNRAGDDK-UNMCSNQZSA-N 0 1 386.467 3.514 20 10 GHCDMN FC(F)C1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138679707 1025204196 /nfs/dbraw/zinc/20/41/96/1025204196.db2.gz GKSPXGOAMBWVMO-UHFFFAOYSA-N 0 1 389.284 3.763 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cc(F)ncc2F)C1 ZINC000838924169 1025447052 /nfs/dbraw/zinc/44/70/52/1025447052.db2.gz BYJSPUMAGDRLQG-UHFFFAOYSA-N 0 1 399.441 3.824 20 10 GHCDMN COc1cc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1F ZINC000839145776 1025640580 /nfs/dbraw/zinc/64/05/80/1025640580.db2.gz TTYMCZFFQJIGPM-CYBMUJFWSA-N 0 1 380.410 3.800 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC001162436987 1025749476 /nfs/dbraw/zinc/74/94/76/1025749476.db2.gz FJINVWREAJNWLL-SFHVURJKSA-N 0 1 395.894 3.974 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC001162436987 1025749489 /nfs/dbraw/zinc/74/94/89/1025749489.db2.gz FJINVWREAJNWLL-SFHVURJKSA-N 0 1 395.894 3.974 20 10 GHCDMN Cc1cc(CN2CCC(n3c4ccccc4n(C)c3=O)CC2)ccc1N(C)C ZINC001139672700 1026529151 /nfs/dbraw/zinc/52/91/51/1026529151.db2.gz BZVHBYSRTNHFNA-UHFFFAOYSA-N 0 1 378.520 3.552 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001139682109 1026537478 /nfs/dbraw/zinc/53/74/78/1026537478.db2.gz PAPDDRMIRHYLPV-LJQANCHMSA-N 0 1 395.400 3.803 20 10 GHCDMN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2Br)C[C@H](C)O)cc1 ZINC001140098888 1026875808 /nfs/dbraw/zinc/87/58/08/1026875808.db2.gz QQHAIMBPBRRMEX-AWEZNQCLSA-N 0 1 394.309 3.589 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2c([O-])cccc2Br)C[C@H](C)O)cc1 ZINC001140098888 1026875816 /nfs/dbraw/zinc/87/58/16/1026875816.db2.gz QQHAIMBPBRRMEX-AWEZNQCLSA-N 0 1 394.309 3.589 20 10 GHCDMN CCN(CC)c1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC001203374214 1027299433 /nfs/dbraw/zinc/29/94/33/1027299433.db2.gz VXFOCPJIGMLCAP-FQEVSTJZSA-N 0 1 375.444 3.577 20 10 GHCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203564846 1027436860 /nfs/dbraw/zinc/43/68/60/1027436860.db2.gz QTRQLEAERZACJA-GFCCVEGCSA-N 0 1 393.119 3.918 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001203575211 1027442666 /nfs/dbraw/zinc/44/26/66/1027442666.db2.gz GNTMHHRPZFCSMR-HZPDHXFCSA-N 0 1 378.303 3.658 20 10 GHCDMN CCC[N@H+](Cc1ccc(OC)cc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203635418 1027494537 /nfs/dbraw/zinc/49/45/37/1027494537.db2.gz SVNALXSJKWHEFR-MRXNPFEDSA-N 0 1 378.513 3.870 20 10 GHCDMN CCC[N@@H+](Cc1ccc(OC)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203635418 1027494540 /nfs/dbraw/zinc/49/45/40/1027494540.db2.gz SVNALXSJKWHEFR-MRXNPFEDSA-N 0 1 378.513 3.870 20 10 GHCDMN CCC[N@H+](Cc1ccc(OC)cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203635418 1027494543 /nfs/dbraw/zinc/49/45/43/1027494543.db2.gz SVNALXSJKWHEFR-MRXNPFEDSA-N 0 1 378.513 3.870 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 ZINC001203636294 1027494809 /nfs/dbraw/zinc/49/48/09/1027494809.db2.gz SSNPMBDBJTUYQB-SWLSCSKDSA-N 0 1 397.313 3.596 20 10 GHCDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(Br)ccc1O ZINC001203648768 1027505171 /nfs/dbraw/zinc/50/51/71/1027505171.db2.gz SWXVVJYGTGNPSO-RISCZKNCSA-N 0 1 385.302 3.642 20 10 GHCDMN Cc1cccnc1OC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203648292 1027505337 /nfs/dbraw/zinc/50/53/37/1027505337.db2.gz IOVGLOVSASVADW-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203655935 1027509330 /nfs/dbraw/zinc/50/93/30/1027509330.db2.gz FWCOFSYFSHNGNH-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001203655773 1027509989 /nfs/dbraw/zinc/50/99/89/1027509989.db2.gz CPXGXTYTDMNHET-UHFFFAOYSA-N 0 1 376.884 3.506 20 10 GHCDMN COCCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203665292 1027518466 /nfs/dbraw/zinc/51/84/66/1027518466.db2.gz GDCBMRKEJGNOHH-QGZVFWFLSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203665292 1027518480 /nfs/dbraw/zinc/51/84/80/1027518480.db2.gz GDCBMRKEJGNOHH-QGZVFWFLSA-N 0 1 398.931 3.894 20 10 GHCDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840483438 1027568003 /nfs/dbraw/zinc/56/80/03/1027568003.db2.gz KHHAHVYEIQBTSF-NUEKZKHPSA-N 0 1 386.544 3.684 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875994 1027675359 /nfs/dbraw/zinc/67/53/59/1027675359.db2.gz ZPLXCKOTSZQSCX-NRFANRHFSA-N 0 1 376.497 3.711 20 10 GHCDMN Cc1cc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)n(-c2ccccc2)n1 ZINC001203936587 1027730995 /nfs/dbraw/zinc/73/09/95/1027730995.db2.gz HXTTXKXDXRWGSS-UHFFFAOYSA-N 0 1 375.520 3.569 20 10 GHCDMN CCN(CC)c1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1 ZINC001203938871 1027731763 /nfs/dbraw/zinc/73/17/63/1027731763.db2.gz JKLXMMHBWHYNCA-MDNUFGMLSA-N 0 1 395.547 3.986 20 10 GHCDMN Fc1ccc2c(c1)[C@@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCCO2 ZINC000840760100 1027798632 /nfs/dbraw/zinc/79/86/32/1027798632.db2.gz RHLFSDURTXSTBG-IBGZPJMESA-N 0 1 392.421 3.944 20 10 GHCDMN Fc1cncc([C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C2CC2)c1 ZINC000840760108 1027799471 /nfs/dbraw/zinc/79/94/71/1027799471.db2.gz 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COc1ccc(C[N@@H+](C)CCc2ccccc2)c([O-])c1I ZINC001248476756 1035903761 /nfs/dbraw/zinc/90/37/61/1035903761.db2.gz PBDQMCMWOZBLJE-UHFFFAOYSA-N 0 1 397.256 3.680 20 10 GHCDMN CN1C(=O)C2(CC[NH+](Cc3cc(Cl)c([O-])cc3O)CC2)[C@@H]1c1ccccc1 ZINC001232261727 1037983455 /nfs/dbraw/zinc/98/34/55/1037983455.db2.gz NGJLBAWUZCGTSV-IBGZPJMESA-N 0 1 386.879 3.547 20 10 GHCDMN COc1cc(O)c(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1Cl ZINC001232263794 1037984432 /nfs/dbraw/zinc/98/44/32/1037984432.db2.gz AIBCXINEKCXDEN-CQSZACIVSA-N 0 1 384.904 3.933 20 10 GHCDMN COc1cc(O)c(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001232267073 1037988164 /nfs/dbraw/zinc/98/81/64/1037988164.db2.gz VPJPZPBYIJRYCW-AWEZNQCLSA-N 0 1 384.904 3.933 20 10 GHCDMN COc1cc(O)c(CN2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1Cl ZINC001232266393 1037988398 /nfs/dbraw/zinc/98/83/98/1037988398.db2.gz NIKPMSLAAUKWRN-CZUORRHYSA-N 0 1 396.915 3.886 20 10 GHCDMN COc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)cc1Cl ZINC001232266356 1037988513 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/nfs/dbraw/zinc/99/02/53/1037990253.db2.gz RYBXIYVMZRFETI-OKILXGFUSA-N 0 1 396.915 3.743 20 10 GHCDMN CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267925 1037990331 /nfs/dbraw/zinc/99/03/31/1037990331.db2.gz KGABSFHDTUOHEX-OAHLLOKOSA-N 0 1 387.904 3.625 20 10 GHCDMN CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267925 1037990339 /nfs/dbraw/zinc/99/03/39/1037990339.db2.gz KGABSFHDTUOHEX-OAHLLOKOSA-N 0 1 387.904 3.625 20 10 GHCDMN CCOC(=O)c1coc(C2CCN(Cc3cc(Cl)c(OC)cc3O)CC2)n1 ZINC001232270596 1037993658 /nfs/dbraw/zinc/99/36/58/1037993658.db2.gz GXCJVARQJAPZIR-UHFFFAOYSA-N 0 1 394.855 3.599 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)cc1Cl ZINC001232269756 1037993678 /nfs/dbraw/zinc/99/36/78/1037993678.db2.gz JTYAKJMQOCJKRR-UHFFFAOYSA-N 0 1 389.839 3.503 20 10 GHCDMN COc1cc(O)c(CN2CCC(c3noc(C(F)(F)F)n3)CC2)cc1Cl ZINC001232269890 1037994357 /nfs/dbraw/zinc/99/43/57/1037994357.db2.gz MDARNTRXHGAEMG-UHFFFAOYSA-N 0 1 391.777 3.836 20 10 GHCDMN COC(=O)c1c(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c2ccccc2n1C ZINC001232404034 1038187178 /nfs/dbraw/zinc/18/71/78/1038187178.db2.gz JSOHGTZHERWGNM-QGZVFWFLSA-N 0 1 382.435 3.757 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@H](NCc1cc(Cl)c(F)cc1O)C(F)F ZINC001462244950 1070115875 /nfs/dbraw/zinc/11/58/75/1070115875.db2.gz BXPUGKSNKUKLEG-LBPRGKRZSA-N 0 1 382.810 3.823 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cccc4ncsc43)CC2)cc1 ZINC001232736426 1038527031 /nfs/dbraw/zinc/52/70/31/1038527031.db2.gz LODOQGOSCAIIFG-UHFFFAOYSA-N 0 1 383.517 3.644 20 10 GHCDMN CCC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232840948 1038590972 /nfs/dbraw/zinc/59/09/72/1038590972.db2.gz OAANPOCXYRVARA-SFHVURJKSA-N 0 1 377.529 3.680 20 10 GHCDMN CCC[C@H]1CN(Cc2ccc(N(C)C)cc2O)CCN1C(=O)OC(C)(C)C ZINC001232840948 1038590986 /nfs/dbraw/zinc/59/09/86/1038590986.db2.gz OAANPOCXYRVARA-SFHVURJKSA-N 0 1 377.529 3.680 20 10 GHCDMN COC(=O)[C@@H]1CN(Cc2c(O)cc(Br)cc2F)Cc2ccccc21 ZINC001233030438 1038781702 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DKNWLXTYSCBKLQ-AWEZNQCLSA-N 0 1 393.119 3.918 20 10 GHCDMN COc1cccc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000174632628 868739009 /nfs/dbraw/zinc/73/90/09/868739009.db2.gz OCRSYAFPDAJGGO-NRFANRHFSA-N 0 1 397.496 3.684 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)CCC[C@H]3C)cc2F)CC1 ZINC000745808046 869830563 /nfs/dbraw/zinc/83/05/63/869830563.db2.gz JVYMQDYOEXHRPM-QZTJIDSGSA-N 0 1 390.547 3.688 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000745837819 869840412 /nfs/dbraw/zinc/84/04/12/869840412.db2.gz JSQJFWYJZKRPDS-UHFFFAOYSA-N 0 1 392.507 3.658 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000745837819 869840426 /nfs/dbraw/zinc/84/04/26/869840426.db2.gz JSQJFWYJZKRPDS-UHFFFAOYSA-N 0 1 392.507 3.658 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC001192315072 870281836 /nfs/dbraw/zinc/28/18/36/870281836.db2.gz NDDUZNQDXOAESL-SFHVURJKSA-N 0 1 382.504 3.593 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000775525809 870374895 /nfs/dbraw/zinc/37/48/95/870374895.db2.gz FUJWUOSWYNZRDH-GUTXKFCHSA-N 0 1 390.343 3.551 20 10 GHCDMN COc1ccc(O)c(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000181348077 870895036 /nfs/dbraw/zinc/89/50/36/870895036.db2.gz BBUWFAGVYNFIGG-JOCHJYFZSA-N 0 1 397.496 3.684 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CCCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193612974 871188834 /nfs/dbraw/zinc/18/88/34/871188834.db2.gz VSWIMHVWFXKMDW-IBGZPJMESA-N 0 1 398.887 3.518 20 10 GHCDMN C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606023 871212841 /nfs/dbraw/zinc/21/28/41/871212841.db2.gz RGQMWTPQOZNGMH-RYUDHWBXSA-N 0 1 398.887 3.517 20 10 GHCDMN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766645403 871380873 /nfs/dbraw/zinc/38/08/73/871380873.db2.gz UCXGGLMGZBZYPR-GOSISDBHSA-N 0 1 388.431 3.957 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccc(Cl)nn2)C1 ZINC000766683405 871458562 /nfs/dbraw/zinc/45/85/62/871458562.db2.gz CAQOSGRODZOIMQ-UHFFFAOYSA-N 0 1 397.910 3.514 20 10 GHCDMN CCC(CC)(CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)OC ZINC001129350331 872054623 /nfs/dbraw/zinc/05/46/23/872054623.db2.gz LXKLLEYXEXCZSN-UHFFFAOYSA-N 0 1 385.552 3.729 20 10 GHCDMN O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775662241 872471506 /nfs/dbraw/zinc/47/15/06/872471506.db2.gz CBCWDNKCVJBPEE-UHFFFAOYSA-N 0 1 390.886 3.852 20 10 GHCDMN O=C(CCc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775662241 872471514 /nfs/dbraw/zinc/47/15/14/872471514.db2.gz CBCWDNKCVJBPEE-UHFFFAOYSA-N 0 1 390.886 3.852 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCNc2ccccc2)C1 ZINC000767932339 872965572 /nfs/dbraw/zinc/96/55/72/872965572.db2.gz ZHHQNHREWQHFMJ-UHFFFAOYSA-N 0 1 390.531 3.636 20 10 GHCDMN Cc1cc(C[C@H](C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n[nH]1 ZINC000767969408 872983313 /nfs/dbraw/zinc/98/33/13/872983313.db2.gz FDZAFLDYZLQQJR-HNNXBMFYSA-N 0 1 379.508 3.599 20 10 GHCDMN CC(C)[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)CC1 ZINC000768018449 873029117 /nfs/dbraw/zinc/02/91/17/873029117.db2.gz WJFOJTAFFQWNPU-UHFFFAOYSA-N 0 1 393.940 3.671 20 10 GHCDMN COCCOc1ccccc1N1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775726609 873232438 /nfs/dbraw/zinc/23/24/38/873232438.db2.gz VREVRFQZVLWSCU-UHFFFAOYSA-N 0 1 394.874 3.532 20 10 GHCDMN CNC(=O)c1ccc(C[N@H+](Cc2cc(Br)ccc2[O-])C2CC2)cc1 ZINC000768423545 873295628 /nfs/dbraw/zinc/29/56/28/873295628.db2.gz HQAYXIFXOPNKCJ-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN CNC(=O)c1ccc(C[N@@H+](Cc2cc(Br)ccc2[O-])C2CC2)cc1 ZINC000768423545 873295634 /nfs/dbraw/zinc/29/56/34/873295634.db2.gz HQAYXIFXOPNKCJ-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858011469 882715873 /nfs/dbraw/zinc/71/58/73/882715873.db2.gz OPOMUXBGZKHEPS-OAHLLOKOSA-N 0 1 393.281 3.520 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2ccc(F)cn2)C1 ZINC000769663279 874220819 /nfs/dbraw/zinc/22/08/19/874220819.db2.gz NOOYXOJRBDUVEJ-UHFFFAOYSA-N 0 1 381.451 3.685 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372753 874613118 /nfs/dbraw/zinc/61/31/18/874613118.db2.gz FUHDMKQHWVRCSX-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000770372753 874613121 /nfs/dbraw/zinc/61/31/21/874613121.db2.gz FUHDMKQHWVRCSX-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccsc3C(F)(F)F)cc2)C1 ZINC000858104838 882849839 /nfs/dbraw/zinc/84/98/39/882849839.db2.gz ZNZBHPPWIXSDEE-HNNXBMFYSA-N 0 1 397.466 3.758 20 10 GHCDMN CCOCCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000771066232 875018483 /nfs/dbraw/zinc/01/84/83/875018483.db2.gz PZNRFGUQPWDWBO-GOSISDBHSA-N 0 1 394.943 3.723 20 10 GHCDMN CN(C)c1cc(F)c(CNCc2ccc(NC(=O)c3ccncc3)cc2)cc1F ZINC001199990345 875267794 /nfs/dbraw/zinc/26/77/94/875267794.db2.gz JCKHEEQMEUUUPS-UHFFFAOYSA-N 0 1 396.441 3.968 20 10 GHCDMN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(N4CCN(C)CC4)cc3)nc12 ZINC000771517059 875308322 /nfs/dbraw/zinc/30/83/22/875308322.db2.gz BVQUKUYFVOIGJD-RGEXLXHISA-N 0 1 394.906 3.720 20 10 GHCDMN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC001202049872 875978705 /nfs/dbraw/zinc/97/87/05/875978705.db2.gz GRQBKDIRPMBXIR-OLZOCXBDSA-N 0 1 385.302 3.501 20 10 GHCDMN CCOC(=O)C(=C(O)CSc1ncc(Cl)s1)c1nc(C)cs1 ZINC000849998764 876583608 /nfs/dbraw/zinc/58/36/08/876583608.db2.gz SRWAFEZDNFAGSV-SNVBAGLBSA-N 0 1 376.912 3.570 20 10 GHCDMN CCOC(=O)C(C(=O)CSc1ncc(Cl)s1)c1nc(C)cs1 ZINC000849998764 876583617 /nfs/dbraw/zinc/58/36/17/876583617.db2.gz SRWAFEZDNFAGSV-SNVBAGLBSA-N 0 1 376.912 3.570 20 10 GHCDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(N(C)C)cc3C)n2)cc1 ZINC000152043274 876609545 /nfs/dbraw/zinc/60/95/45/876609545.db2.gz BVZRCCMPGZTECD-UHFFFAOYSA-N 0 1 395.532 3.563 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3c(C4CCC4)cnn3C)cc2F)C[C@H](C)O1 ZINC000850034231 876619100 /nfs/dbraw/zinc/61/91/00/876619100.db2.gz IPRLVPPVUKGACH-HOTGVXAUSA-N 0 1 386.515 3.730 20 10 GHCDMN CN(C)c1ccc(CNCc2cnc(C(F)(F)F)nc2)c(C(F)(F)F)c1 ZINC000850345352 876836104 /nfs/dbraw/zinc/83/61/04/876836104.db2.gz VRFPQEQWDILMDG-UHFFFAOYSA-N 0 1 378.320 3.870 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000850403714 876884036 /nfs/dbraw/zinc/88/40/36/876884036.db2.gz SJVOBRWWBGHJSI-UHFFFAOYSA-N 0 1 377.435 3.661 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000850487106 876962356 /nfs/dbraw/zinc/96/23/56/876962356.db2.gz FUUVFJBWIGNATB-UGKGYDQZSA-N 0 1 380.467 3.526 20 10 GHCDMN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Br)ccc1[O-] ZINC000858453598 883110963 /nfs/dbraw/zinc/11/09/63/883110963.db2.gz XPBALEWXKWQPAS-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN Oc1ccc2ccncc2c1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000795668782 912236833 /nfs/dbraw/zinc/23/68/33/912236833.db2.gz QZFWWVMYQMIYLO-IBGZPJMESA-N 0 1 394.475 3.945 20 10 GHCDMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)Cc1ccccc1O ZINC000111235644 878959783 /nfs/dbraw/zinc/95/97/83/878959783.db2.gz YMDBZLBPWFRURT-AWEZNQCLSA-N 0 1 391.309 3.634 20 10 GHCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000789565783 879075361 /nfs/dbraw/zinc/07/53/61/879075361.db2.gz JGRLMTKKYMHPOV-AWEZNQCLSA-N 0 1 393.119 3.654 20 10 GHCDMN COc1cc(O)c(CN2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000853526153 879086638 /nfs/dbraw/zinc/08/66/38/879086638.db2.gz NGWFTDCAHCFDLB-GOSISDBHSA-N 0 1 399.487 3.851 20 10 GHCDMN CCN(C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1)CC(F)(F)F ZINC000093770794 912431541 /nfs/dbraw/zinc/43/15/41/912431541.db2.gz DKNZULONYDNQAS-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN CCN(C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1)CC(F)(F)F ZINC000093770794 912431546 /nfs/dbraw/zinc/43/15/46/912431546.db2.gz DKNZULONYDNQAS-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180765364 879295881 /nfs/dbraw/zinc/29/58/81/879295881.db2.gz KGSCHXCLCLKTRI-BBRMVZONSA-N 0 1 387.421 3.630 20 10 GHCDMN O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1c(F)ccc(O)c1[O-] ZINC000789973866 879392994 /nfs/dbraw/zinc/39/29/94/879392994.db2.gz TUUZNBLSKIKOJL-UHFFFAOYSA-N 0 1 392.858 3.532 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1O ZINC000069009908 879409151 /nfs/dbraw/zinc/40/91/51/879409151.db2.gz OFYRRWSZZPLLEY-UHFFFAOYSA-N 0 1 397.519 3.725 20 10 GHCDMN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)ccc(O)c3O)n2)cc1 ZINC000790070444 879413558 /nfs/dbraw/zinc/41/35/58/879413558.db2.gz SCEKRAWKKBANRM-UHFFFAOYSA-N 0 1 387.392 3.571 20 10 GHCDMN C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000130875856 879737817 /nfs/dbraw/zinc/73/78/17/879737817.db2.gz PMHATQXLPCIOCR-CQSZACIVSA-N 0 1 388.899 3.518 20 10 GHCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(Cl)cc1Cl ZINC000776748353 879884763 /nfs/dbraw/zinc/88/47/63/879884763.db2.gz CSANJOAPNDTEHQ-UHFFFAOYSA-N 0 1 390.244 3.595 20 10 GHCDMN Cc1cccc(NC(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)c1 ZINC000792164051 880956177 /nfs/dbraw/zinc/95/61/77/880956177.db2.gz FVODUAAHKVGFIK-UHFFFAOYSA-N 0 1 377.847 3.843 20 10 GHCDMN CCOc1ccc(O)c(CN(CCO)Cc2ccc(Br)s2)c1 ZINC000792195041 880982161 /nfs/dbraw/zinc/98/21/61/880982161.db2.gz CSZKPKZHSRNFIF-UHFFFAOYSA-N 0 1 386.311 3.609 20 10 GHCDMN C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Br)ccc1[O-] ZINC000185025916 883399462 /nfs/dbraw/zinc/39/94/62/883399462.db2.gz KOWSNYHZITUAOL-ZDUSSCGKSA-N 0 1 376.298 3.869 20 10 GHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nnc2n1CCCCC2 ZINC000804899101 883464323 /nfs/dbraw/zinc/46/43/23/883464323.db2.gz AWNRGAMFFHUANQ-JTQLQIEISA-N 0 1 398.294 3.577 20 10 GHCDMN COCCOc1ccccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804941479 883475536 /nfs/dbraw/zinc/47/55/36/883475536.db2.gz VXLSUTOXSCKMQO-UHFFFAOYSA-N 0 1 399.274 3.724 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CCCO2 ZINC000805135496 883616853 /nfs/dbraw/zinc/61/68/53/883616853.db2.gz UJDFQZSXEWTXQV-UHFFFAOYSA-N 0 1 388.272 3.503 20 10 GHCDMN C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@H]1c1ccccc1 ZINC000805235605 883679861 /nfs/dbraw/zinc/67/98/61/883679861.db2.gz DMUYOPSEYFJYQQ-IAGOWNOFSA-N 0 1 394.302 3.944 20 10 GHCDMN CCN(CC)CC(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000806183802 884425742 /nfs/dbraw/zinc/42/57/42/884425742.db2.gz XMAGRKOKQIAYIF-HNNXBMFYSA-N 0 1 399.491 3.632 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275248294 912823368 /nfs/dbraw/zinc/82/33/68/912823368.db2.gz MYWBWNSKZSFACR-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275248294 912823381 /nfs/dbraw/zinc/82/33/81/912823381.db2.gz MYWBWNSKZSFACR-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN Cc1nn(C)c2ncc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc12 ZINC000806207676 884448471 /nfs/dbraw/zinc/44/84/71/884448471.db2.gz VNIKUSQAWQTWKU-UHFFFAOYSA-N 0 1 380.235 3.611 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860240535 884471425 /nfs/dbraw/zinc/47/14/25/884471425.db2.gz BJIFJBINXRIEIQ-CMCXCUNFSA-N 0 1 396.918 3.712 20 10 GHCDMN CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001142520134 884474319 /nfs/dbraw/zinc/47/43/19/884474319.db2.gz CAKSVDSIVLLPGS-QFIPXVFZSA-N 0 1 386.442 3.817 20 10 GHCDMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000860242954 884476021 /nfs/dbraw/zinc/47/60/21/884476021.db2.gz XOOZLXQGACICQT-FZMZJTMJSA-N 0 1 378.822 3.715 20 10 GHCDMN O=C(NCC1CCCC1)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275254194 912851847 /nfs/dbraw/zinc/85/18/47/912851847.db2.gz MCRZDUJDMSVUJA-SFHVURJKSA-N 0 1 376.928 3.954 20 10 GHCDMN Cc1ccc2nc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2c1 ZINC000806498121 884743450 /nfs/dbraw/zinc/74/34/50/884743450.db2.gz XSACOIVIYFCFOE-UHFFFAOYSA-N 0 1 379.247 3.655 20 10 GHCDMN CCN(CC)[C@@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)c1ccccc1 ZINC001130745513 884986147 /nfs/dbraw/zinc/98/61/47/884986147.db2.gz ZIJDZKFHEYRBME-JOCHJYFZSA-N 0 1 383.536 3.673 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@]2(C)CCCOC2)C1 ZINC000861048628 885195965 /nfs/dbraw/zinc/19/59/65/885195965.db2.gz POTAUWTZMOXUCL-QHCPKHFHSA-N 0 1 384.520 3.768 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C/C=C/c3ccc(F)cc3)cc2F)CC1 ZINC000747384467 885342398 /nfs/dbraw/zinc/34/23/98/885342398.db2.gz VCCPYMUXXBAEHN-ONEGZZNKSA-N 0 1 399.485 3.826 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000807511942 885496044 /nfs/dbraw/zinc/49/60/44/885496044.db2.gz GBQVSDFPHVCDAE-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN CCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1-c1ccccc1 ZINC000807840323 885770811 /nfs/dbraw/zinc/77/08/11/885770811.db2.gz YYVUVPGMLSIRDU-UHFFFAOYSA-N 0 1 391.258 3.772 20 10 GHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc(C(F)(F)F)n1 ZINC000807838554 885803796 /nfs/dbraw/zinc/80/37/96/885803796.db2.gz WWSLFJOPKVXIPN-UHFFFAOYSA-N 0 1 380.153 3.746 20 10 GHCDMN COc1ccc2c(c1)C=C(S(=O)(=O)Nc1cc(Cl)c(O)cc1F)CC2 ZINC000808114624 886024319 /nfs/dbraw/zinc/02/43/19/886024319.db2.gz CURZPOFCLJXGGB-UHFFFAOYSA-N 0 1 383.828 3.922 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc(Br)c1 ZINC000808114454 886025908 /nfs/dbraw/zinc/02/59/08/886025908.db2.gz ZBRKHAOSZHGPSY-UHFFFAOYSA-N 0 1 380.622 3.748 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862367298 886327321 /nfs/dbraw/zinc/32/73/21/886327321.db2.gz CJDNUXKLMHPMFE-ZDUSSCGKSA-N 0 1 381.270 3.551 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862367298 886327342 /nfs/dbraw/zinc/32/73/42/886327342.db2.gz CJDNUXKLMHPMFE-ZDUSSCGKSA-N 0 1 381.270 3.551 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862367298 886327363 /nfs/dbraw/zinc/32/73/63/886327363.db2.gz CJDNUXKLMHPMFE-ZDUSSCGKSA-N 0 1 381.270 3.551 20 10 GHCDMN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119072703 886579350 /nfs/dbraw/zinc/57/93/50/886579350.db2.gz POQYPUQUSHPPTD-MAUKXSAKSA-N 0 1 382.243 3.518 20 10 GHCDMN CCOC(=O)c1ccc2c(c1)nc(CN[C@@H](C)c1cc(OC)ccc1O)n2CC ZINC000808743537 886757251 /nfs/dbraw/zinc/75/72/51/886757251.db2.gz HPTUHFYUSPKGBO-AWEZNQCLSA-N 0 1 397.475 3.798 20 10 GHCDMN CCCNS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000864042619 887530238 /nfs/dbraw/zinc/53/02/38/887530238.db2.gz ACGKTPKAKKGOJF-UHFFFAOYSA-N 0 1 389.304 3.999 20 10 GHCDMN C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000809658842 887619290 /nfs/dbraw/zinc/61/92/90/887619290.db2.gz XUCKRAHQTRETAS-CYFREDJKSA-N 0 1 378.516 3.629 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)Cc2cc3c(cc2O)OCO3)cc1 ZINC000809731467 887712986 /nfs/dbraw/zinc/71/29/86/887712986.db2.gz IDQNRYFNPVBFCT-UHFFFAOYSA-N 0 1 380.444 3.982 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1 ZINC000809709244 887729822 /nfs/dbraw/zinc/72/98/22/887729822.db2.gz OGWXVFVVYMUUFJ-CQSZACIVSA-N 0 1 385.302 3.516 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000794703365 887876918 /nfs/dbraw/zinc/87/69/18/887876918.db2.gz BWBOHSHGQBXEIE-OAQYLSRUSA-N 0 1 388.552 3.685 20 10 GHCDMN CCc1nc([C@H](C)NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n[nH]1 ZINC000763201760 888249720 /nfs/dbraw/zinc/24/97/20/888249720.db2.gz LPYLALLMHNXAIX-ZDUSSCGKSA-N 0 1 385.899 3.848 20 10 GHCDMN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215036 888291749 /nfs/dbraw/zinc/29/17/49/888291749.db2.gz OLOOQWIQLGNMJC-QGZVFWFLSA-N 0 1 396.409 3.977 20 10 GHCDMN CC(=O)Nc1cccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000865419396 888338122 /nfs/dbraw/zinc/33/81/22/888338122.db2.gz XSWLLMOOQROBEC-IYBDPMFKSA-N 0 1 385.483 3.688 20 10 GHCDMN CN(C)c1ccc([C@H](CNCc2cn(C3CC3)cn2)NC(=O)OC(C)(C)C)cc1 ZINC000865519873 888403397 /nfs/dbraw/zinc/40/33/97/888403397.db2.gz UWDSSTBBVUZNGL-FQEVSTJZSA-N 0 1 399.539 3.640 20 10 GHCDMN C[C@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866434432 888874502 /nfs/dbraw/zinc/87/45/02/888874502.db2.gz TWQXCLUHHBUNLJ-SUMWQHHRSA-N 0 1 385.409 3.862 20 10 GHCDMN CC(C)(NCc1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000154017461 889048282 /nfs/dbraw/zinc/04/82/82/889048282.db2.gz KJQLBLRCWLQYIS-UHFFFAOYSA-N 0 1 387.281 3.760 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4cccc(C)c4o3)CC2)cc1 ZINC001184658602 913347438 /nfs/dbraw/zinc/34/74/38/913347438.db2.gz DWMCCSQMXWMOAJ-UHFFFAOYSA-N 0 1 380.492 3.769 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(c2ccccc2F)C1 ZINC000811528778 889683281 /nfs/dbraw/zinc/68/32/81/889683281.db2.gz HQRCGQJCVWULNY-NSHDSACASA-N 0 1 383.250 3.981 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)c(F)cc3Cl)cc2)CC1 ZINC001133123842 890258009 /nfs/dbraw/zinc/25/80/09/890258009.db2.gz YXUQCOCTAMGMRY-UHFFFAOYSA-N 0 1 396.293 3.814 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccco1 ZINC000154222900 890416061 /nfs/dbraw/zinc/41/60/61/890416061.db2.gz TZDQXSXAGSPTRC-HXUWFJFHSA-N 0 1 382.508 3.538 20 10 GHCDMN Cn1ncc2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000812917199 891102087 /nfs/dbraw/zinc/10/20/87/891102087.db2.gz OVENFUYOOLZIDX-UHFFFAOYSA-N 0 1 379.247 3.585 20 10 GHCDMN COC(=O)c1cc2[nH]cnc2c(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168522805 891103919 /nfs/dbraw/zinc/10/39/19/891103919.db2.gz JNVMSVXVLGHJOQ-UHFFFAOYSA-N 0 1 382.807 3.869 20 10 GHCDMN C[C@H](Cc1ccccc1)c1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)n[nH]1 ZINC001184997843 913595782 /nfs/dbraw/zinc/59/57/82/913595782.db2.gz RSTWURGLBJDCDO-OAHLLOKOSA-N 0 1 391.471 3.756 20 10 GHCDMN Cc1ccc(-n2cnnc2)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000813682932 891875959 /nfs/dbraw/zinc/87/59/59/891875959.db2.gz NPHYPGHUHIECBM-UHFFFAOYSA-N 0 1 377.231 3.518 20 10 GHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)sc2nc(C)nc(N)c12 ZINC000813686338 891876920 /nfs/dbraw/zinc/87/69/20/891876920.db2.gz ZPBFLXHTZASSIP-UHFFFAOYSA-N 0 1 397.287 3.833 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774833266 913689149 /nfs/dbraw/zinc/68/91/49/913689149.db2.gz NJNIOMAHXHHOMI-UHFFFAOYSA-N 0 1 375.381 3.628 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000774833266 913689159 /nfs/dbraw/zinc/68/91/59/913689159.db2.gz NJNIOMAHXHHOMI-UHFFFAOYSA-N 0 1 375.381 3.628 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000774840935 913727767 /nfs/dbraw/zinc/72/77/67/913727767.db2.gz PUTKRYNGSHUSKF-UHFFFAOYSA-N 0 1 387.255 3.765 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000774840935 913727778 /nfs/dbraw/zinc/72/77/78/913727778.db2.gz PUTKRYNGSHUSKF-UHFFFAOYSA-N 0 1 387.255 3.765 20 10 GHCDMN OC1CCN(c2ccc(CNCc3nc4ccccc4n3C3CC3)cc2)CC1 ZINC000877351497 893570793 /nfs/dbraw/zinc/57/07/93/893570793.db2.gz ZQJASRITIJQOPC-UHFFFAOYSA-N 0 1 376.504 3.622 20 10 GHCDMN NC(=O)c1ccc(CN(Cc2ccc(Br)cc2O)C2CC2)c(F)c1 ZINC000825959190 893570996 /nfs/dbraw/zinc/57/09/96/893570996.db2.gz BXJIJCXFXIDJES-UHFFFAOYSA-N 0 1 393.256 3.557 20 10 GHCDMN C[C@H](NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccccc1O ZINC000877758200 893796288 /nfs/dbraw/zinc/79/62/88/893796288.db2.gz MQGMSTYECHVKTJ-ZDUSSCGKSA-N 0 1 375.469 3.991 20 10 GHCDMN C[C@@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)cc(F)c1O ZINC000815657817 894072940 /nfs/dbraw/zinc/07/29/40/894072940.db2.gz JUNMOGCKBGSELZ-LLVKDONJSA-N 0 1 391.244 3.725 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1n1cccn1 ZINC000826089635 894811622 /nfs/dbraw/zinc/81/16/22/894811622.db2.gz MAIXIIVAZVFBFM-OIISXLGYSA-N 0 1 394.313 3.638 20 10 GHCDMN Cn1nccc1-c1ccccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816480978 894850175 /nfs/dbraw/zinc/85/01/75/894850175.db2.gz DDTPYVVDJUZAIV-HXUWFJFHSA-N 0 1 377.488 3.974 20 10 GHCDMN O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816540130 894908959 /nfs/dbraw/zinc/90/89/59/894908959.db2.gz CZFFWVGBDAZDSO-NRFANRHFSA-N 0 1 390.483 3.744 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913869 914025974 /nfs/dbraw/zinc/02/59/74/914025974.db2.gz SRKICJDRIPMAJE-DOTOQJQBSA-N 0 1 390.436 3.770 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915221 914031689 /nfs/dbraw/zinc/03/16/89/914031689.db2.gz ZILZDTCOFVDARH-SJLPKXTDSA-N 0 1 390.411 3.536 20 10 GHCDMN COc1ccc(N2CC[C@@H](CN[C@@H](c3ccn(C)n3)c3ccc(F)cc3)C2)cc1 ZINC000818341828 896121125 /nfs/dbraw/zinc/12/11/25/896121125.db2.gz HIYMDNXNJNDVAE-GAJHUEQPSA-N 0 1 394.494 3.773 20 10 GHCDMN COC1(c2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)CCC1 ZINC000567025485 896808657 /nfs/dbraw/zinc/80/86/57/896808657.db2.gz ZESSEJQTZVIVJS-UHFFFAOYSA-N 0 1 380.492 3.865 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)cc2F)CC1 ZINC000155288359 898563334 /nfs/dbraw/zinc/56/33/34/898563334.db2.gz CHNPHJHYJIPPAK-KRWDZBQOSA-N 0 1 399.510 3.590 20 10 GHCDMN Fc1cc(CNCc2cccc(Br)c2F)ccc1N1CCOCC1 ZINC000823671421 899180465 /nfs/dbraw/zinc/18/04/65/899180465.db2.gz OFMZFZPFTIDXHG-UHFFFAOYSA-N 0 1 397.263 3.854 20 10 GHCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ncccc2O)cc1 ZINC000778775411 899643085 /nfs/dbraw/zinc/64/30/85/899643085.db2.gz HDSYTYKHMMXBJR-UHFFFAOYSA-N 0 1 377.444 3.709 20 10 GHCDMN CCOc1c(OC)cc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1OC ZINC000825168544 900008250 /nfs/dbraw/zinc/00/82/50/900008250.db2.gz ZRPYNTUZOJWUDQ-UHFFFAOYSA-N 0 1 396.281 3.860 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000825214792 900029791 /nfs/dbraw/zinc/02/97/91/900029791.db2.gz LFCMFEKXWZMVMS-NSHDSACASA-N 0 1 375.266 3.524 20 10 GHCDMN COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825190459 900039255 /nfs/dbraw/zinc/03/92/55/900039255.db2.gz KRJKRUFRJGMVPJ-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1)cc2=O ZINC000846257583 902831348 /nfs/dbraw/zinc/83/13/48/902831348.db2.gz SCSDFXACOIIUAH-ZGKFYVQTSA-N 0 1 392.459 3.591 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCCc3ccc(C)cc3)cc2F)CC1 ZINC000303336513 914681963 /nfs/dbraw/zinc/68/19/63/914681963.db2.gz VFVCYJUOSYLJCF-UHFFFAOYSA-N 0 1 397.538 3.915 20 10 GHCDMN Cc1cc(C(=O)N2CCNC(C)(C)C2)c(C)n1-c1ccccc1Br ZINC001137245397 903226005 /nfs/dbraw/zinc/22/60/05/903226005.db2.gz RDGGHDRARQMSOB-UHFFFAOYSA-N 0 1 390.325 3.681 20 10 GHCDMN CCC(C)(C)OC1CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC001147595357 903830894 /nfs/dbraw/zinc/83/08/94/903830894.db2.gz FGGRQBQJVPXBFT-UHFFFAOYSA-N 0 1 397.563 3.824 20 10 GHCDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccc(Br)cc1 ZINC000779173835 905115780 /nfs/dbraw/zinc/11/57/80/905115780.db2.gz IRANRVHZAXPLNB-AWEZNQCLSA-N 0 1 384.657 3.812 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1[O-] ZINC000184979882 907690804 /nfs/dbraw/zinc/69/08/04/907690804.db2.gz OHVHVDYLBBVEIS-LBPRGKRZSA-N 0 1 393.281 3.703 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc2ccccc2c1[O-] ZINC000185063771 907706627 /nfs/dbraw/zinc/70/66/27/907706627.db2.gz VHVCEAAURUVCAR-INIZCTEOSA-N 0 1 378.472 3.863 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000185649630 907805825 /nfs/dbraw/zinc/80/58/25/907805825.db2.gz ICMOQXGZVDDKLK-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN CSCC[C@H](NCc1ccc(N2CCCC2)cc1)c1nnc2ccccn21 ZINC001177142501 908423670 /nfs/dbraw/zinc/42/36/70/908423670.db2.gz HVXPGBTZGKZTQN-IBGZPJMESA-N 0 1 381.549 3.914 20 10 GHCDMN O=C(Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1)N1CCOCC1 ZINC001177341636 908535005 /nfs/dbraw/zinc/53/50/05/908535005.db2.gz ONCXMYUSOAGMOP-UHFFFAOYSA-N 0 1 395.286 3.712 20 10 GHCDMN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])n1 ZINC000191559498 908641846 /nfs/dbraw/zinc/64/18/46/908641846.db2.gz NDFGQOXGXXBQJA-SNVBAGLBSA-N 0 1 399.310 3.681 20 10 GHCDMN C[C@@H](c1ccccc1)n1ccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001178139046 908904109 /nfs/dbraw/zinc/90/41/09/908904109.db2.gz KLQBIGZFDMKXKC-IBGZPJMESA-N 0 1 375.520 3.856 20 10 GHCDMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000194721079 908917161 /nfs/dbraw/zinc/91/71/61/908917161.db2.gz OVXKIIZODFWGSA-GJZGRUSLSA-N 0 1 399.450 3.535 20 10 GHCDMN CN(C)Cc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000773882599 910354413 /nfs/dbraw/zinc/35/44/13/910354413.db2.gz GNYXLNFLGMVFMD-UHFFFAOYSA-N 0 1 380.536 3.842 20 10 GHCDMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622217 910885424 /nfs/dbraw/zinc/88/54/24/910885424.db2.gz RPQKDWDXGJGLOS-GOEBONIOSA-N 0 1 382.451 3.893 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001182115642 911181559 /nfs/dbraw/zinc/18/15/59/911181559.db2.gz NZYVRFLWCCSUJB-UHFFFAOYSA-N 0 1 388.240 3.995 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)CCn2cccn2)C1 ZINC000774180643 911500331 /nfs/dbraw/zinc/50/03/31/911500331.db2.gz OSQSKTJAKMUWDU-SFHVURJKSA-N 0 1 394.519 3.626 20 10 GHCDMN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1c(F)ccc(O)c1O ZINC001182401196 911584444 /nfs/dbraw/zinc/58/44/44/911584444.db2.gz RSSCNKAEAVMOPN-UHFFFAOYSA-N 0 1 391.292 3.906 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291140996 915003582 /nfs/dbraw/zinc/00/35/82/915003582.db2.gz CTYHPMQTSNOQCD-CYBMUJFWSA-N 0 1 385.439 3.504 20 10 GHCDMN CCC(C)(C)NC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000775178408 916040373 /nfs/dbraw/zinc/04/03/73/916040373.db2.gz JUCCAFMBCUSRET-UHFFFAOYSA-N 0 1 394.563 3.969 20 10 GHCDMN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000775258316 916693195 /nfs/dbraw/zinc/69/31/95/916693195.db2.gz XDUKRJDBKWEOTN-CQSZACIVSA-N 0 1 375.856 3.936 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001190974818 917677432 /nfs/dbraw/zinc/67/74/32/917677432.db2.gz BVTVQJRCYVTWTD-NWDGAFQWSA-N 0 1 393.336 3.546 20 10 GHCDMN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1cc(Cl)cc(Cl)c1O ZINC001190977327 917679892 /nfs/dbraw/zinc/67/98/92/917679892.db2.gz YXQWPCQEDFUBJO-SECBINFHSA-N 0 1 388.263 3.944 20 10 GHCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1C(F)(F)F ZINC000775459472 918033639 /nfs/dbraw/zinc/03/36/39/918033639.db2.gz PUIGDKLLPBVBJD-CQSZACIVSA-N 0 1 379.426 3.738 20 10 GHCDMN Cc1nc(CN2CC[C@@]3(CCCN3Cc3c(O)cccc3Cl)C2=O)cs1 ZINC001275841691 918456680 /nfs/dbraw/zinc/45/66/80/918456680.db2.gz BMVBQSIIRKOMTD-IBGZPJMESA-N 0 1 391.924 3.578 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775511526 918529923 /nfs/dbraw/zinc/52/99/23/918529923.db2.gz HAHIACKLZJCHFM-FOIQADDNSA-N 0 1 393.911 3.955 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893085 919289274 /nfs/dbraw/zinc/28/92/74/919289274.db2.gz PXRRKANJAUKGMF-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893085 919289333 /nfs/dbraw/zinc/28/93/33/919289333.db2.gz PXRRKANJAUKGMF-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN CCN(CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)C[C@H]1CCOC1 ZINC000827430379 925482287 /nfs/dbraw/zinc/48/22/87/925482287.db2.gz KBOAWXJRYYVVLX-MRXNPFEDSA-N 0 1 375.900 3.684 20 10 GHCDMN COCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCCC1 ZINC001137440498 925796365 /nfs/dbraw/zinc/79/63/65/925796365.db2.gz XCTKMYGASSGAOG-GOSISDBHSA-N 0 1 394.943 3.723 20 10 GHCDMN CCCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000726876385 926902138 /nfs/dbraw/zinc/90/21/38/926902138.db2.gz QQKLWMFZLSHEEK-NBVRZTHBSA-N 0 1 380.444 3.726 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(n3cc(Br)cn3)CC2)c1O ZINC000750819785 927874146 /nfs/dbraw/zinc/87/41/46/927874146.db2.gz HZJVSCHJNVIHIQ-UHFFFAOYSA-N 0 1 396.260 3.530 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000758525136 930070572 /nfs/dbraw/zinc/07/05/72/930070572.db2.gz DIMXGLABEATXRD-LBPRGKRZSA-N 0 1 384.701 3.749 20 10 GHCDMN COC(=O)c1ccc(Cl)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000781339537 930802594 /nfs/dbraw/zinc/80/25/94/930802594.db2.gz NRHBUXGJOOUSFY-OAHLLOKOSA-N 0 1 388.895 3.814 20 10 GHCDMN CCOc1ccc(CN[C@H](CCO)c2ccccc2Br)c(O)c1 ZINC000781637585 930919982 /nfs/dbraw/zinc/91/99/82/930919982.db2.gz BEZQZMRQKPKGPC-QGZVFWFLSA-N 0 1 380.282 3.767 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000781911568 931025161 /nfs/dbraw/zinc/02/51/61/931025161.db2.gz NWVVURGOZIEFTC-JOCHJYFZSA-N 0 1 382.323 3.833 20 10 GHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924795187 931541940 /nfs/dbraw/zinc/54/19/40/931541940.db2.gz LONPYJPDVNSUCU-ROUUACIJSA-N 0 1 377.492 3.516 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(C2CC2)c1 ZINC000783590632 931590187 /nfs/dbraw/zinc/59/01/87/931590187.db2.gz VJAYUXMEVMLNGG-GOSISDBHSA-N 0 1 385.895 3.712 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(C2CC2)c1 ZINC000783590632 931590196 /nfs/dbraw/zinc/59/01/96/931590196.db2.gz VJAYUXMEVMLNGG-GOSISDBHSA-N 0 1 385.895 3.712 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnn1C1CCC1 ZINC000926558330 932228280 /nfs/dbraw/zinc/22/82/80/932228280.db2.gz DRHMGZZVNSADQI-CQSZACIVSA-N 0 1 376.451 3.574 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797606141 932342568 /nfs/dbraw/zinc/34/25/68/932342568.db2.gz ZYQPGLOAKDXNLZ-DEYYWGMASA-N 0 1 384.314 3.622 20 10 GHCDMN CC[C@@H]1CCC[C@]1(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124518129 935403138 /nfs/dbraw/zinc/40/31/38/935403138.db2.gz RNEQXXMLORKYKE-XXBNENTESA-N 0 1 387.568 3.540 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001137835340 935814760 /nfs/dbraw/zinc/81/47/60/935814760.db2.gz DSFNKZVSVFAANM-HSZRJFAPSA-N 0 1 391.446 3.662 20 10 GHCDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840997412 955585444 /nfs/dbraw/zinc/58/54/44/955585444.db2.gz DYTUPODUUPQMHB-HNNXBMFYSA-N 0 1 381.314 3.736 20 10 GHCDMN CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1O ZINC001596362754 983842274 /nfs/dbraw/zinc/84/22/74/983842274.db2.gz MZKYMXXCCGKXRW-UHFFFAOYSA-N 0 1 394.265 3.640 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C(=O)[O-])cs3)cc2F)CC1 ZINC001596438603 984128675 /nfs/dbraw/zinc/12/86/75/984128675.db2.gz NGQKJRCBSINQSF-AWEZNQCLSA-N 0 1 391.512 3.578 20 10 GHCDMN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])ccc3c1C(=O)c1ccccc1C3=O)C2 ZINC001227580443 1032471063 /nfs/dbraw/zinc/47/10/63/1032471063.db2.gz PZLWRYSRQMIIDN-ZSHCYNCHSA-N 0 1 391.467 3.950 20 10 GHCDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])ccc3c1C(=O)c1ccccc1C3=O)C2 ZINC001227580443 1032471066 /nfs/dbraw/zinc/47/10/66/1032471066.db2.gz PZLWRYSRQMIIDN-ZSHCYNCHSA-N 0 1 391.467 3.950 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H](c2ccccc2)C(F)(F)F)c1O ZINC001227619988 1032488124 /nfs/dbraw/zinc/48/81/24/1032488124.db2.gz AWMZIGRJAJHDSL-ZDUSSCGKSA-N 0 1 390.335 3.709 20 10 GHCDMN C[C@H]1C[C@H](Oc2cc(O)cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)CCO1 ZINC001227659750 1032508509 /nfs/dbraw/zinc/50/85/09/1032508509.db2.gz SUWDNQQWWOUADC-GXSJLCMTSA-N 0 1 398.367 3.756 20 10 GHCDMN CN(C)c1ccc(/C=C/CN2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC001204189002 1032644814 /nfs/dbraw/zinc/64/48/14/1032644814.db2.gz ZDJDJOLBPCQVCX-SOFGYWHQSA-N 0 1 379.504 3.973 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OCCOC3CCCC3)c1C2=O ZINC001227993884 1032730153 /nfs/dbraw/zinc/73/01/53/1032730153.db2.gz HEOJJKRIQSIHEP-UHFFFAOYSA-N 0 1 382.412 3.520 20 10 GHCDMN COCCOc1ccccc1N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329324 1032772343 /nfs/dbraw/zinc/77/23/43/1032772343.db2.gz MEFFRHVLBDSGHS-UHFFFAOYSA-N 0 1 395.547 3.634 20 10 GHCDMN c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001204327865 1032770336 /nfs/dbraw/zinc/77/03/36/1032770336.db2.gz KTKLTNKHAROHTR-RBZQAINGSA-N 0 1 393.531 3.630 20 10 GHCDMN COc1cc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)cc(O)c1O ZINC001204342130 1032783390 /nfs/dbraw/zinc/78/33/90/1032783390.db2.gz JMDVVRAPUGDNAG-UHFFFAOYSA-N 0 1 391.427 3.614 20 10 GHCDMN COc1cccc([C@@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)c1 ZINC001228519817 1032968143 /nfs/dbraw/zinc/96/81/43/1032968143.db2.gz SNMLXCLZONWFDF-GFCCVEGCSA-N 0 1 396.395 3.889 20 10 GHCDMN OC1CCN(c2ccc(CN3CCN(Cc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001140285445 1021317438 /nfs/dbraw/zinc/31/74/38/1021317438.db2.gz KLVRMSVSBXHBLR-UHFFFAOYSA-N 0 1 399.966 3.619 20 10 GHCDMN Cc1cccc(C)c1N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286769 1021318709 /nfs/dbraw/zinc/31/87/09/1021318709.db2.gz FBYBSWBBYOLVBH-UHFFFAOYSA-N 0 1 379.548 3.587 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140339788 1021447244 /nfs/dbraw/zinc/44/72/44/1021447244.db2.gz YFUBCNIQGDNURA-TZIWHRDSSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140339788 1021447249 /nfs/dbraw/zinc/44/72/49/1021447249.db2.gz YFUBCNIQGDNURA-TZIWHRDSSA-N 0 1 388.895 3.891 20 10 GHCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000834910611 1021670382 /nfs/dbraw/zinc/67/03/82/1021670382.db2.gz ILKUBOCSHUWQIC-PWSUYJOCSA-N 0 1 378.270 3.536 20 10 GHCDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140464367 1021756286 /nfs/dbraw/zinc/75/62/86/1021756286.db2.gz MUWRBJFQLGSJPH-INIZCTEOSA-N 0 1 384.904 3.503 20 10 GHCDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140464367 1021756305 /nfs/dbraw/zinc/75/63/05/1021756305.db2.gz MUWRBJFQLGSJPH-INIZCTEOSA-N 0 1 384.904 3.503 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC001140850723 1022697895 /nfs/dbraw/zinc/69/78/95/1022697895.db2.gz RTDBGRCXSGPRFW-MRXNPFEDSA-N 0 1 377.529 3.680 20 10 GHCDMN COCCC[N@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140951042 1022975546 /nfs/dbraw/zinc/97/55/46/1022975546.db2.gz VQOMQUDZURMGRQ-UHFFFAOYSA-N 0 1 392.540 3.939 20 10 GHCDMN COCCC[N@@H+](Cc1ccc(C)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140951042 1022975552 /nfs/dbraw/zinc/97/55/52/1022975552.db2.gz VQOMQUDZURMGRQ-UHFFFAOYSA-N 0 1 392.540 3.939 20 10 GHCDMN COc1ccc(C(=O)C2CCN(Cc3c(O)cc(OC)cc3OC)CC2)cc1 ZINC001141028571 1023276819 /nfs/dbraw/zinc/27/68/19/1023276819.db2.gz VAQMORYMSIMYMO-UHFFFAOYSA-N 0 1 385.460 3.513 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2cnn(CC)c21 ZINC001141074772 1023434344 /nfs/dbraw/zinc/43/43/44/1023434344.db2.gz BEMSFAZSCGSXCU-JOCHJYFZSA-N 0 1 394.563 3.738 20 10 GHCDMN C[C@@H]1C[C@@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2c1c(F)ccc2O ZINC000756362607 1023607727 /nfs/dbraw/zinc/60/77/27/1023607727.db2.gz AWUGNSXXQWLYEC-BXKDBHETSA-N 0 1 380.345 3.931 20 10 GHCDMN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756461781 1023665033 /nfs/dbraw/zinc/66/50/33/1023665033.db2.gz VRSIIYPJCNLKBI-GOEBONIOSA-N 0 1 394.309 3.862 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756479534 1023678127 /nfs/dbraw/zinc/67/81/27/1023678127.db2.gz NPQDPIYHVATKNB-AWEZNQCLSA-N 0 1 391.309 3.854 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756659276 1023759062 /nfs/dbraw/zinc/75/90/62/1023759062.db2.gz CGQMILSPWYNZTG-LRDDRELGSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756673908 1023768998 /nfs/dbraw/zinc/76/89/98/1023768998.db2.gz BDGVARRBSVUFOR-DYVFJYSZSA-N 0 1 389.293 3.606 20 10 GHCDMN CN1CCN(c2ccc(CNc3c(F)ccc4c(Cl)ncnc43)cc2)CC1 ZINC001156658980 1033160429 /nfs/dbraw/zinc/16/04/29/1033160429.db2.gz IERMJVSBNFOJSM-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756775784 1023811273 /nfs/dbraw/zinc/81/12/73/1023811273.db2.gz SYAZHENFVBOSNA-BXUZGUMPSA-N 0 1 378.266 3.818 20 10 GHCDMN C[C@H](Cc1ccco1)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545309 1023977850 /nfs/dbraw/zinc/97/78/50/1023977850.db2.gz XHUUGWDBXWBXCO-PBHICJAKSA-N 0 1 376.884 3.598 20 10 GHCDMN C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830545309 1023977855 /nfs/dbraw/zinc/97/78/55/1023977855.db2.gz XHUUGWDBXWBXCO-PBHICJAKSA-N 0 1 376.884 3.598 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001138127272 1024173914 /nfs/dbraw/zinc/17/39/14/1024173914.db2.gz 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Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001139129395 1025941914 /nfs/dbraw/zinc/94/19/14/1025941914.db2.gz XXSDECLQRFPESJ-UHFFFAOYSA-N 0 1 392.499 3.903 20 10 GHCDMN CN1CCN(c2ccc(CN3CCOC[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC001139410920 1026281284 /nfs/dbraw/zinc/28/12/84/1026281284.db2.gz LXTWCRBCWSWZQB-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc4nc(Cl)ccc4[nH]3)CC2)cc1 ZINC001164330026 1026486644 /nfs/dbraw/zinc/48/66/44/1026486644.db2.gz HQSYQMGZIHQSLX-UHFFFAOYSA-N 0 1 399.926 3.849 20 10 GHCDMN Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(N(C)C)c(C)c2)n1 ZINC001139670659 1026525059 /nfs/dbraw/zinc/52/50/59/1026525059.db2.gz OMGKYRZATFSXEQ-RBZQAINGSA-N 0 1 395.547 3.713 20 10 GHCDMN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139682671 1026537814 /nfs/dbraw/zinc/53/78/14/1026537814.db2.gz AKHOCLVFCVRZDT-HZUJVAHNSA-N 0 1 387.474 3.798 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2c(O)cccc2Br)C1 ZINC001140100472 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GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4c[nH]c5ccccc45)nn3)cc2)CC1 ZINC001167422984 839890166 /nfs/dbraw/zinc/89/01/66/839890166.db2.gz JIMMGKDIZPILDH-UHFFFAOYSA-N 0 1 398.514 3.989 20 10 GHCDMN CCC(CC)C[N@@H+](CC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000123897106 840109158 /nfs/dbraw/zinc/10/91/58/840109158.db2.gz ULKPWNFOZFLKNH-UHFFFAOYSA-N 0 1 376.541 3.685 20 10 GHCDMN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001125975986 841012760 /nfs/dbraw/zinc/01/27/60/841012760.db2.gz GQCATFYIEPRZAC-RBUKOAKNSA-N 0 1 375.532 3.800 20 10 GHCDMN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756555029 841414545 /nfs/dbraw/zinc/41/45/45/841414545.db2.gz PUOODHSUJNZFHL-ZDUSSCGKSA-N 0 1 385.346 3.695 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 ZINC000123867158 841887592 /nfs/dbraw/zinc/88/75/92/841887592.db2.gz YFRFGAAIMGAHAO-UHFFFAOYSA-N 0 1 394.446 3.651 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)CC1 ZINC000255339550 841904275 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GHCDMN Cc1cn2nc(N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)sc2n1 ZINC000731903315 861950483 /nfs/dbraw/zinc/95/04/83/861950483.db2.gz JBDFQPAOLSUJPP-CQSZACIVSA-N 0 1 377.901 3.535 20 10 GHCDMN COc1ccc(CNCC(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000732231288 862163794 /nfs/dbraw/zinc/16/37/94/862163794.db2.gz KJSUKHMSDQRHOL-UHFFFAOYSA-N 0 1 377.282 3.803 20 10 GHCDMN COC(=O)c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)s1 ZINC000151240782 853212947 /nfs/dbraw/zinc/21/29/47/853212947.db2.gz XXPKNWTZHCOHJL-QGZVFWFLSA-N 0 1 375.490 3.730 20 10 GHCDMN CCc1cc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c(C(C)(C)C)c1 ZINC000732800284 862501051 /nfs/dbraw/zinc/50/10/51/862501051.db2.gz ZJPSTDQIGWXYIH-MRXNPFEDSA-N 0 1 386.458 3.847 20 10 GHCDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000057979328 855903027 /nfs/dbraw/zinc/90/30/27/855903027.db2.gz JYUPFTFGDGRMDB-FQEVSTJZSA-N 0 1 377.492 3.984 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3nc4ccc(F)cc4s3)SC2=S)CC1 ZINC000760990188 856990826 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Cc1nn2cc(S(=O)(=O)Nc3cc(C(C)C)c(O)cc3C)cnc2c1Cl ZINC000766322474 869098253 /nfs/dbraw/zinc/09/82/53/869098253.db2.gz WBKYASTZVBTTQW-UHFFFAOYSA-N 0 1 394.884 3.629 20 10 GHCDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000793612242 882329771 /nfs/dbraw/zinc/32/97/71/882329771.db2.gz SDIUFWOXIKHEAW-SUMWQHHRSA-N 0 1 392.293 3.665 20 10 GHCDMN CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cc(Br)ccc1[O-] ZINC000775522870 870299879 /nfs/dbraw/zinc/29/98/79/870299879.db2.gz CPKCRMJCJIVWRF-RDJZCZTQSA-N 0 1 383.330 3.842 20 10 GHCDMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000746477764 870819525 /nfs/dbraw/zinc/81/95/25/870819525.db2.gz DSFMATZOYMFJCT-UHFFFAOYSA-N 0 1 392.290 3.834 20 10 GHCDMN CN(Cc1cnc(-c2ccccn2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121328200 870932517 /nfs/dbraw/zinc/93/25/17/870932517.db2.gz IGCDFNUUABRCSL-UHFFFAOYSA-N 0 1 380.517 3.674 20 10 GHCDMN CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247250 870973151 /nfs/dbraw/zinc/97/31/51/870973151.db2.gz QSEYECVOZHPRIF-QGZVFWFLSA-N 0 1 388.895 3.782 20 10 GHCDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247250 870973162 /nfs/dbraw/zinc/97/31/62/870973162.db2.gz QSEYECVOZHPRIF-QGZVFWFLSA-N 0 1 388.895 3.782 20 10 GHCDMN CCOC(=O)c1csc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000763497118 871191633 /nfs/dbraw/zinc/19/16/33/871191633.db2.gz HPZQTKNYBSWQSI-UHFFFAOYSA-N 0 1 391.512 3.905 20 10 GHCDMN CO[C@]1(C)CCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000477863962 872040521 /nfs/dbraw/zinc/04/05/21/872040521.db2.gz PGTASEVRYKSLSM-XMMPIXPASA-N 0 1 397.563 3.825 20 10 GHCDMN CCOC(=O)c1nc[nH]c1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262204 872290066 /nfs/dbraw/zinc/29/00/66/872290066.db2.gz MNXFWVMLGPXNQM-WCWDXBQESA-N 0 1 379.376 3.960 20 10 GHCDMN Cc1cc(Cl)cc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1O ZINC000775665009 872526431 /nfs/dbraw/zinc/52/64/31/872526431.db2.gz VHKBBTXQAOTACX-UHFFFAOYSA-N 0 1 390.886 3.770 20 10 GHCDMN Fc1cc(CN[C@@H]2CCc3ccc(Cl)nc32)cc(F)c1N1CCOCC1 ZINC000857913172 882634242 /nfs/dbraw/zinc/63/42/42/882634242.db2.gz IRZUNGKCEMRQNF-MRXNPFEDSA-N 0 1 379.838 3.627 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCc2cccnc21 ZINC000768080055 873052171 /nfs/dbraw/zinc/05/21/71/873052171.db2.gz MFLXNMQSTSVACM-RBUKOAKNSA-N 0 1 399.922 3.641 20 10 GHCDMN COc1cc2c(cc1OC)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000768159211 873121308 /nfs/dbraw/zinc/12/13/08/873121308.db2.gz DLQSRMMFCNYECA-UHFFFAOYSA-N 0 1 378.812 3.529 20 10 GHCDMN COc1cc2c(cc1OC)C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000768159211 873121316 /nfs/dbraw/zinc/12/13/16/873121316.db2.gz DLQSRMMFCNYECA-UHFFFAOYSA-N 0 1 378.812 3.529 20 10 GHCDMN COc1cc2c(c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)c1)O[C@@H](C)C2 ZINC000768162071 873122621 /nfs/dbraw/zinc/12/26/21/873122621.db2.gz KNSRWZCOVQYLED-JXFKEZNVSA-N 0 1 383.488 3.905 20 10 GHCDMN CCOc1cc2c(cc1OCC)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000768211453 873167037 /nfs/dbraw/zinc/16/70/37/873167037.db2.gz YNIDPFACOVKVCV-UHFFFAOYSA-N 0 1 396.531 3.879 20 10 GHCDMN O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1cccc(Br)c1O ZINC000768238001 873185627 /nfs/dbraw/zinc/18/56/27/873185627.db2.gz WODLHLRJHYHDRU-KRWDZBQOSA-N 0 1 390.277 3.863 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000768247592 873188065 /nfs/dbraw/zinc/18/80/65/873188065.db2.gz BYPXCISNKMVIDM-ZDUSSCGKSA-N 0 1 385.302 3.596 20 10 GHCDMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(Br)c1[O-] ZINC000768422005 873294103 /nfs/dbraw/zinc/29/41/03/873294103.db2.gz DHZDMYGCNWNUMZ-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN Cc1noc(C2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)n1 ZINC000768787811 873579768 /nfs/dbraw/zinc/57/97/68/873579768.db2.gz DUFXVWMNHWCFGD-UHFFFAOYSA-N 0 1 385.468 3.656 20 10 GHCDMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)c(O)c1 ZINC001197186683 873620682 /nfs/dbraw/zinc/62/06/82/873620682.db2.gz ZQNMNWHKPGLDGZ-QURGRASLSA-N 0 1 396.428 3.707 20 10 GHCDMN COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(C)c1 ZINC000768911939 873680308 /nfs/dbraw/zinc/68/03/08/873680308.db2.gz KQGSCZIDSWCJKF-QGZVFWFLSA-N 0 1 388.895 3.757 20 10 GHCDMN O=C(CCOc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917423 873685994 /nfs/dbraw/zinc/68/59/94/873685994.db2.gz ZDAISDFPAYTXMJ-GOSISDBHSA-N 0 1 388.895 3.595 20 10 GHCDMN Cc1cc(C)cc(C(=O)c2ccccc2NS(=O)(=O)Cc2cccnc2)c1 ZINC001197464871 873819587 /nfs/dbraw/zinc/81/95/87/873819587.db2.gz GVPQFXQGBZEYOH-UHFFFAOYSA-N 0 1 380.469 3.871 20 10 GHCDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])C(=O)NCC1CCCCC1 ZINC000769933877 874375608 /nfs/dbraw/zinc/37/56/08/874375608.db2.gz KEDIPPBPECMEKU-UHFFFAOYSA-N 0 1 383.330 3.719 20 10 GHCDMN O=C1CCCN1Cc1ccccc1C[NH2+]Cc1c([O-])cccc1Br ZINC000858095551 882840073 /nfs/dbraw/zinc/84/00/73/882840073.db2.gz QLAMJMPYWJOCIH-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000858110015 882855548 /nfs/dbraw/zinc/85/55/48/882855548.db2.gz GOEFJRUGMQMZPL-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN O=C(CCC[NH2+]Cc1c([O-])cccc1Br)N1Cc2ccccc2C1 ZINC000858134943 882869348 /nfs/dbraw/zinc/86/93/48/882869348.db2.gz XKRLKPHICDNSGA-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000771055330 875013109 /nfs/dbraw/zinc/01/31/09/875013109.db2.gz BOSGGVXBAFCIGF-BEFAXECRSA-N 0 1 387.911 3.715 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001199678389 875120923 /nfs/dbraw/zinc/12/09/23/875120923.db2.gz NGKPQNHWEPRTRT-GFCCVEGCSA-N 0 1 375.774 3.594 20 10 GHCDMN CN(C)c1cc(F)c(CNCc2ccc(Cn3ccccc3=O)cc2)cc1F ZINC001199769563 875174498 /nfs/dbraw/zinc/17/44/98/875174498.db2.gz NBTOGPLWQPGSMC-UHFFFAOYSA-N 0 1 383.442 3.531 20 10 GHCDMN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC001202049874 875979019 /nfs/dbraw/zinc/97/90/19/875979019.db2.gz GRQBKDIRPMBXIR-QWHCGFSZSA-N 0 1 385.302 3.501 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1F ZINC001202436695 876205787 /nfs/dbraw/zinc/20/57/87/876205787.db2.gz YUZMVJTUOYXQBV-BHIYHBOVSA-N 0 1 378.467 3.514 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cc(F)ccc3Br)cc2)CC1 ZINC000850405708 876886782 /nfs/dbraw/zinc/88/67/82/876886782.db2.gz AEZREPZEYHVBAR-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN C[C@H](NCc1cccnc1N1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850501981 876976745 /nfs/dbraw/zinc/97/67/45/876976745.db2.gz QQPAHTDDHDPRQX-KRWDZBQOSA-N 0 1 384.499 3.508 20 10 GHCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(Br)cc1[O-] ZINC000850532357 877003420 /nfs/dbraw/zinc/00/34/20/877003420.db2.gz TYQUZZSGIXZVOS-LBPRGKRZSA-N 0 1 390.343 3.553 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@]2(C)CC2(F)F)C1 ZINC000851258775 877548625 /nfs/dbraw/zinc/54/86/25/877548625.db2.gz RRLWWSIXFRIRJI-FQEVSTJZSA-N 0 1 376.447 3.996 20 10 GHCDMN CCC[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nn[nH]n1 ZINC000772708014 877671507 /nfs/dbraw/zinc/67/15/07/877671507.db2.gz LPFVXOLOEDPWQA-GOSISDBHSA-N 0 1 392.467 3.952 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000746776351 878481589 /nfs/dbraw/zinc/48/15/89/878481589.db2.gz CZQGQDLPUZAKGM-FQEVSTJZSA-N 0 1 388.943 3.850 20 10 GHCDMN COC[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCCO1 ZINC000789382641 878876211 /nfs/dbraw/zinc/87/62/11/878876211.db2.gz MQHMCGQFMMCDMY-WOJBJXKFSA-N 0 1 382.464 3.824 20 10 GHCDMN CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000093736997 912408094 /nfs/dbraw/zinc/40/80/94/912408094.db2.gz NEQPTYZSXOYLKC-KRWDZBQOSA-N 0 1 389.565 3.881 20 10 GHCDMN COc1cc2ccnc(NCc3ccc(N4CCC(O)CC4)cc3)c2cc1OC ZINC000853958302 879401458 /nfs/dbraw/zinc/40/14/58/879401458.db2.gz WHSZMYNECXYHGC-UHFFFAOYSA-N 0 1 393.487 3.825 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCO[C@@H](COc4ccccc4)C3)c2c1 ZINC000790459310 879740595 /nfs/dbraw/zinc/74/05/95/879740595.db2.gz LLEMDWCSTWNYNW-HXUWFJFHSA-N 0 1 379.456 3.834 20 10 GHCDMN CC(C)(C)OC(=O)NC1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000854474510 879838731 /nfs/dbraw/zinc/83/87/31/879838731.db2.gz MOYZIFBBUMRHKP-UHFFFAOYSA-N 0 1 389.279 3.763 20 10 GHCDMN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792167681 880959664 /nfs/dbraw/zinc/95/96/64/880959664.db2.gz YLOCDWSYUOUASK-INIZCTEOSA-N 0 1 378.831 3.796 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)c(F)c(F)c1 ZINC000805135224 883616591 /nfs/dbraw/zinc/61/65/91/883616591.db2.gz QTCOZYOMXFKDEK-UHFFFAOYSA-N 0 1 386.178 3.595 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000805241540 883685839 /nfs/dbraw/zinc/68/58/39/883685839.db2.gz APGYMTQWPBDHCF-BZPMIXESSA-N 0 1 393.361 3.878 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677408 912776973 /nfs/dbraw/zinc/77/69/73/912776973.db2.gz DFAFIOONYJLMAY-HUUCEWRRSA-N 0 1 387.476 3.560 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677408 912776980 /nfs/dbraw/zinc/77/69/80/912776980.db2.gz DFAFIOONYJLMAY-HUUCEWRRSA-N 0 1 387.476 3.560 20 10 GHCDMN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236244 912779450 /nfs/dbraw/zinc/77/94/50/912779450.db2.gz MTSGGOOJQIBZRH-HXPMCKFVSA-N 0 1 399.318 3.634 20 10 GHCDMN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236244 912779457 /nfs/dbraw/zinc/77/94/57/912779457.db2.gz MTSGGOOJQIBZRH-HXPMCKFVSA-N 0 1 399.318 3.634 20 10 GHCDMN CN(C)C(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806183427 884425569 /nfs/dbraw/zinc/42/55/69/884425569.db2.gz DPUMIYPVSOACNQ-UHFFFAOYSA-N 0 1 382.247 3.723 20 10 GHCDMN COc1ccc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc1Cn1cccn1 ZINC000898183483 884642184 /nfs/dbraw/zinc/64/21/84/884642184.db2.gz JSRNEDJOQGKABG-QGZVFWFLSA-N 0 1 379.508 3.787 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c(Cl)c1 ZINC000898290309 884700811 /nfs/dbraw/zinc/70/08/11/884700811.db2.gz OYBWUJVBQHIUIS-UHFFFAOYSA-N 0 1 380.897 3.548 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691644 912866453 /nfs/dbraw/zinc/86/64/53/912866453.db2.gz SSKNVBVJJSPZSN-CVEARBPZSA-N 0 1 383.444 3.834 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691644 912866466 /nfs/dbraw/zinc/86/64/66/912866466.db2.gz SSKNVBVJJSPZSN-CVEARBPZSA-N 0 1 383.444 3.834 20 10 GHCDMN CCCN(CC(=O)Nc1nnc(-c2sccc2C)o1)Cc1ccccc1O ZINC000153371230 884838356 /nfs/dbraw/zinc/83/83/56/884838356.db2.gz ATULPZOZXHBPOF-UHFFFAOYSA-N 0 1 386.477 3.663 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000154897613 884879966 /nfs/dbraw/zinc/87/99/66/884879966.db2.gz IAJKQHICIIPYAX-CYBMUJFWSA-N 0 1 385.302 3.644 20 10 GHCDMN CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000795850325 912909348 /nfs/dbraw/zinc/90/93/48/912909348.db2.gz YBCMZQVHFRCAKI-WBMJQRKESA-N 0 1 377.282 3.683 20 10 GHCDMN CCCOc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511800 885495971 /nfs/dbraw/zinc/49/59/71/885495971.db2.gz VUUIJZXMCSNULO-UHFFFAOYSA-N 0 1 397.258 3.743 20 10 GHCDMN CSc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807511886 885496529 /nfs/dbraw/zinc/49/65/29/885496529.db2.gz ZOKHCGDGEKHPJB-UHFFFAOYSA-N 0 1 385.272 3.676 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000807839836 885771009 /nfs/dbraw/zinc/77/10/09/885771009.db2.gz MILHBLFQERFWDR-OAHLLOKOSA-N 0 1 382.243 3.797 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841080 885772911 /nfs/dbraw/zinc/77/29/11/885772911.db2.gz QYWHLUGCEOXJFH-VHSXEESVSA-N 0 1 391.295 3.865 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841078 885773641 /nfs/dbraw/zinc/77/36/41/885773641.db2.gz QYWHLUGCEOXJFH-NXEZZACHSA-N 0 1 391.295 3.865 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCC2=O)cc1 ZINC000807833624 885798686 /nfs/dbraw/zinc/79/86/86/885798686.db2.gz CKEQMONZQFDKIR-UHFFFAOYSA-N 0 1 379.243 3.756 20 10 GHCDMN COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc2c1O[C@H](C)C2 ZINC000807836735 885799205 /nfs/dbraw/zinc/79/92/05/885799205.db2.gz MWKNZOYXNBWKEA-SECBINFHSA-N 0 1 382.243 3.961 20 10 GHCDMN C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839782 885804074 /nfs/dbraw/zinc/80/40/74/885804074.db2.gz LMDGJUYWHQEDQU-NSHDSACASA-N 0 1 387.307 3.790 20 10 GHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)n1ccc2ccccc2c1=O ZINC000807839119 885805984 /nfs/dbraw/zinc/80/59/84/885805984.db2.gz XHJPRUFCYQZSNY-LLVKDONJSA-N 0 1 391.254 3.891 20 10 GHCDMN Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1-c1ccc(F)cc1 ZINC000807839479 885806346 /nfs/dbraw/zinc/80/63/46/885806346.db2.gz NOCKZMZXVRIFFC-UHFFFAOYSA-N 0 1 395.221 3.657 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000747470204 886160479 /nfs/dbraw/zinc/16/04/79/886160479.db2.gz ACASLDQETXWSEV-HSZRJFAPSA-N 0 1 381.472 3.721 20 10 GHCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000862245214 886247731 /nfs/dbraw/zinc/24/77/31/886247731.db2.gz KIQDIMJHRKHCMF-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000862245214 886247755 /nfs/dbraw/zinc/24/77/55/886247755.db2.gz KIQDIMJHRKHCMF-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000862332450 886296837 /nfs/dbraw/zinc/29/68/37/886296837.db2.gz VJGIRSLQHSBEPY-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000862332450 886296848 /nfs/dbraw/zinc/29/68/48/886296848.db2.gz VJGIRSLQHSBEPY-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)cc1F ZINC000747547772 887187889 /nfs/dbraw/zinc/18/78/89/887187889.db2.gz RBVKKACTLUJFMI-UHFFFAOYSA-N 0 1 382.443 3.574 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)c(C(F)(F)F)c1 ZINC000809664186 887688542 /nfs/dbraw/zinc/68/85/42/887688542.db2.gz BUGXMJMJNIIVNZ-AWEZNQCLSA-N 0 1 379.430 3.523 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)c1C ZINC000809687968 887705846 /nfs/dbraw/zinc/70/58/46/887705846.db2.gz WNYLTEDXJGVAOF-UHFFFAOYSA-N 0 1 377.872 3.564 20 10 GHCDMN COc1ccc(CC[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1O ZINC000809712273 887732198 /nfs/dbraw/zinc/73/21/98/887732198.db2.gz IGBDGITXPHMIMM-LBPRGKRZSA-N 0 1 380.282 3.980 20 10 GHCDMN COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(Br)c1 ZINC000809753187 887791889 /nfs/dbraw/zinc/79/18/89/887791889.db2.gz BVNSYEMTLVVRIR-UHFFFAOYSA-N 0 1 384.657 3.885 20 10 GHCDMN COC(=O)c1ccc(CNCc2cc(Cl)ccc2O)c(Br)c1 ZINC000809753187 887791910 /nfs/dbraw/zinc/79/19/10/887791910.db2.gz BVNSYEMTLVVRIR-UHFFFAOYSA-N 0 1 384.657 3.885 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2cccc(Cl)c2O)[C@@H](C(F)F)C1 ZINC000809784258 887836496 /nfs/dbraw/zinc/83/64/96/887836496.db2.gz SJJJYTGQXVNZIE-CYBMUJFWSA-N 0 1 376.831 3.732 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)c2C)cc1 ZINC000763197333 888229105 /nfs/dbraw/zinc/22/91/05/888229105.db2.gz OVVOGWVQWWWIEF-AWEZNQCLSA-N 0 1 381.480 3.835 20 10 GHCDMN Oc1c(CNc2nc3[nH]cnc3c(C(F)(F)F)n2)cc(Cl)c2cccnc12 ZINC001168521960 890279426 /nfs/dbraw/zinc/27/94/26/890279426.db2.gz MHVBXFMTTPOBPZ-UHFFFAOYSA-N 0 1 394.744 3.843 20 10 GHCDMN C[C@@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccc(N2CCOCC2)cc1Cl ZINC000872122329 891169018 /nfs/dbraw/zinc/16/90/18/891169018.db2.gz DULBDFCSNRYGNA-CYBMUJFWSA-N 0 1 387.867 3.874 20 10 GHCDMN O=C(NCc1ccnc(OC(F)F)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000805475858 891245991 /nfs/dbraw/zinc/24/59/91/891245991.db2.gz DICLSYFLVMDFKC-UHFFFAOYSA-N 0 1 392.189 3.695 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000813685497 891875113 /nfs/dbraw/zinc/87/51/13/891875113.db2.gz IOFUPTYANUFHPB-UHFFFAOYSA-N 0 1 381.137 3.748 20 10 GHCDMN O=C(Cc1cccnc1Br)NCc1cc(Cl)cc(Cl)c1O ZINC000813682849 891875434 /nfs/dbraw/zinc/87/54/34/891875434.db2.gz LOSSPLRQVFXGCW-UHFFFAOYSA-N 0 1 390.064 3.715 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C2CC2)cc1 ZINC000918065699 893081468 /nfs/dbraw/zinc/08/14/68/893081468.db2.gz SQJQLASGOLWGTR-FQEVSTJZSA-N 0 1 386.565 3.791 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000918067331 893083701 /nfs/dbraw/zinc/08/37/01/893083701.db2.gz IEPJRHNVFXTAHN-UHFFFAOYSA-N 0 1 395.532 3.555 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000815141468 893514580 /nfs/dbraw/zinc/51/45/80/893514580.db2.gz CYKOKALENTZXOC-UHFFFAOYSA-N 0 1 375.188 3.901 20 10 GHCDMN Fc1cc(CNCc2cc3c(ccnc3Cl)o2)cc(F)c1N1CCOCC1 ZINC000877582386 893702048 /nfs/dbraw/zinc/70/20/48/893702048.db2.gz UHNHIMABRFJZIH-UHFFFAOYSA-N 0 1 393.821 3.886 20 10 GHCDMN Oc1c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)ccc2ccccc21 ZINC000816574662 894953445 /nfs/dbraw/zinc/95/34/45/894953445.db2.gz ORORNZRXIZDLPL-UHFFFAOYSA-N 0 1 394.422 3.738 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774907404 914001352 /nfs/dbraw/zinc/00/13/52/914001352.db2.gz BAJOZLCOGIHWIM-GOSISDBHSA-N 0 1 386.448 3.533 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774907404 914001371 /nfs/dbraw/zinc/00/13/71/914001371.db2.gz BAJOZLCOGIHWIM-GOSISDBHSA-N 0 1 386.448 3.533 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000796276438 914081779 /nfs/dbraw/zinc/08/17/79/914081779.db2.gz YQUVVALFRMUJQM-UHFFFAOYSA-N 0 1 391.309 3.584 20 10 GHCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000132164903 897702468 /nfs/dbraw/zinc/70/24/68/897702468.db2.gz MSTPKTAVAZKHJT-LJQANCHMSA-N 0 1 390.491 3.584 20 10 GHCDMN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000132164903 897702482 /nfs/dbraw/zinc/70/24/82/897702482.db2.gz MSTPKTAVAZKHJT-LJQANCHMSA-N 0 1 390.491 3.584 20 10 GHCDMN COc1cc(F)cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000823671344 899180433 /nfs/dbraw/zinc/18/04/33/899180433.db2.gz MEMMQGMCPSDFKM-GASCZTMLSA-N 0 1 376.447 3.877 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000823767450 899239548 /nfs/dbraw/zinc/23/95/48/899239548.db2.gz GFOFOZZVNDSPKK-NUEKZKHPSA-N 0 1 381.234 3.976 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000824376544 899572368 /nfs/dbraw/zinc/57/23/68/899572368.db2.gz JJNYKBPTLHZCBN-UGSOOPFHSA-N 0 1 397.313 3.501 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636995 899730719 /nfs/dbraw/zinc/73/07/19/899730719.db2.gz WBADRPZPISGMIF-LPHOPBHVSA-N 0 1 394.284 3.763 20 10 GHCDMN Cc1ccc(C2(O)CC[NH+](Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC001203635187 914376277 /nfs/dbraw/zinc/37/62/77/914376277.db2.gz NYHZGCUBZZZSFA-UHFFFAOYSA-N 0 1 376.294 3.947 20 10 GHCDMN COc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])N(C)C)cc1OC ZINC000825051256 899951974 /nfs/dbraw/zinc/95/19/74/899951974.db2.gz ZBXZRCCVDRIEKU-QGZVFWFLSA-N 0 1 378.900 3.764 20 10 GHCDMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825121862 899992194 /nfs/dbraw/zinc/99/21/94/899992194.db2.gz VGRGGDMPYDGZNI-CYBMUJFWSA-N 0 1 391.309 3.973 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000825253596 900053076 /nfs/dbraw/zinc/05/30/76/900053076.db2.gz HUZAWUSBPCGCAW-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825376134 900133508 /nfs/dbraw/zinc/13/35/08/900133508.db2.gz VHICNGZEUADDQS-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)CC1 ZINC000886325031 900932907 /nfs/dbraw/zinc/93/29/07/900932907.db2.gz QRQSNGFSJUFIGG-UHFFFAOYSA-N 0 1 392.330 3.985 20 10 GHCDMN COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])c1 ZINC001144308154 901701271 /nfs/dbraw/zinc/70/12/71/901701271.db2.gz RTNYSNRKTIZZKW-UHFFFAOYSA-N 0 1 382.229 3.712 20 10 GHCDMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846240358 902815554 /nfs/dbraw/zinc/81/55/54/902815554.db2.gz LVOMPPFLWCKLCZ-NSHDSACASA-N 0 1 386.839 3.512 20 10 GHCDMN CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846243852 902819136 /nfs/dbraw/zinc/81/91/36/902819136.db2.gz JCGAPDHQYKYLDR-SFHVURJKSA-N 0 1 396.491 3.757 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1)cc2=O ZINC000846258406 902832216 /nfs/dbraw/zinc/83/22/16/902832216.db2.gz HKTAFRWTTCQPMX-MVGZEHJDSA-N 0 1 398.488 3.653 20 10 GHCDMN C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000181461048 907005787 /nfs/dbraw/zinc/00/57/87/907005787.db2.gz GMDHXBKEMGWZSA-MRXNPFEDSA-N 0 1 386.467 3.674 20 10 GHCDMN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185042379 907702312 /nfs/dbraw/zinc/70/23/12/907702312.db2.gz LESVAHCVGGTPQB-ZDUSSCGKSA-N 0 1 395.334 3.697 20 10 GHCDMN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185267019 907742437 /nfs/dbraw/zinc/74/24/37/907742437.db2.gz XDUBTCNMHRQXMW-OAHLLOKOSA-N 0 1 381.451 3.767 20 10 GHCDMN Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920591 908014405 /nfs/dbraw/zinc/01/44/05/908014405.db2.gz ZGNWVSOALGFCRP-INIZCTEOSA-N 0 1 375.310 3.766 20 10 GHCDMN O=C1COc2cc(NCc3cc(Cl)cc(Br)c3O)ccc2N1 ZINC001177391455 908559747 /nfs/dbraw/zinc/55/97/47/908559747.db2.gz IRJMXXNTVDPUGT-UHFFFAOYSA-N 0 1 383.629 3.751 20 10 GHCDMN Cc1c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cnn1C(C)(C)C ZINC000191203728 908593864 /nfs/dbraw/zinc/59/38/64/908593864.db2.gz AMMPILBUCSLOGN-OAHLLOKOSA-N 0 1 388.531 3.898 20 10 GHCDMN OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001179864918 909789084 /nfs/dbraw/zinc/78/90/84/909789084.db2.gz YPJVONVWFREBIL-SFHVURJKSA-N 0 1 399.293 3.689 20 10 GHCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)c2[nH]1 ZINC000801826326 921528126 /nfs/dbraw/zinc/52/81/26/921528126.db2.gz JYXJXHVWTGOMOU-ZIAGYGMSSA-N 0 1 396.466 3.554 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1ccccc1C ZINC000774218521 911532327 /nfs/dbraw/zinc/53/23/27/911532327.db2.gz VBQYDQPTFIUZJP-INIZCTEOSA-N 0 1 380.448 3.511 20 10 GHCDMN COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCN2C2CC2)c1 ZINC000801957664 921683926 /nfs/dbraw/zinc/68/39/26/921683926.db2.gz NQYMBDZNKPIDJG-FGZHOGPDSA-N 0 1 398.478 3.810 20 10 GHCDMN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Br)ccc3[O-])C2)n(C)n1 ZINC000774453695 911759629 /nfs/dbraw/zinc/75/96/29/911759629.db2.gz DXMQTKLYUAACLF-DZGCQCFKSA-N 0 1 393.329 3.516 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000097476970 915587192 /nfs/dbraw/zinc/58/71/92/915587192.db2.gz BYRROSBZDBBRDX-IBGZPJMESA-N 0 1 381.520 3.851 20 10 GHCDMN CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])c1 ZINC000775493896 918336408 /nfs/dbraw/zinc/33/64/08/918336408.db2.gz WJAGPHBEYVBWTI-GOSISDBHSA-N 0 1 376.884 3.801 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C2CCCC2)c1 ZINC000800476070 920156326 /nfs/dbraw/zinc/15/63/26/920156326.db2.gz GYGGDIFEWGRKEN-INIZCTEOSA-N 0 1 386.515 3.949 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000800993797 920674951 /nfs/dbraw/zinc/67/49/51/920674951.db2.gz NLFWUBIGQNSXHN-LPHOPBHVSA-N 0 1 388.895 3.766 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc2ccccc2c1[O-] ZINC000903434914 923025617 /nfs/dbraw/zinc/02/56/17/923025617.db2.gz ONAHOSHCEGHOAQ-OCCSQVGLSA-N 0 1 384.867 3.624 20 10 GHCDMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C(C)C ZINC000827095674 924738099 /nfs/dbraw/zinc/73/80/99/924738099.db2.gz JYLZKDFOAWGWQM-QGZVFWFLSA-N 0 1 390.915 3.526 20 10 GHCDMN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000371863718 924921531 /nfs/dbraw/zinc/92/15/31/924921531.db2.gz IPAIBKRXIRQQMG-NEPJUHHUSA-N 0 1 379.302 3.884 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827197044 925001113 /nfs/dbraw/zinc/00/11/13/925001113.db2.gz VBFPTHVANSGTKW-DLBZAZTESA-N 0 1 376.294 3.753 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000725849681 926466478 /nfs/dbraw/zinc/46/64/78/926466478.db2.gz UTXSEHZJTWGRLS-UHFFFAOYSA-N 0 1 384.657 3.869 20 10 GHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000757604571 929741054 /nfs/dbraw/zinc/74/10/54/929741054.db2.gz DDETXSWFIWQIEQ-UHFFFAOYSA-N 0 1 384.863 3.953 20 10 GHCDMN CCN(C(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000781992858 931054435 /nfs/dbraw/zinc/05/44/35/931054435.db2.gz OIGMIEOUKBWMOM-IBGZPJMESA-N 0 1 387.568 3.525 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782293952 931162331 /nfs/dbraw/zinc/16/23/31/931162331.db2.gz IEALHCLNLHCLPM-CQSZACIVSA-N 0 1 376.382 3.993 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782293952 931162334 /nfs/dbraw/zinc/16/23/34/931162334.db2.gz IEALHCLNLHCLPM-CQSZACIVSA-N 0 1 376.382 3.993 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(Cc4ccc(Cl)cc4)o3)cc2)CC1 ZINC000777514832 931325621 /nfs/dbraw/zinc/32/56/21/931325621.db2.gz GBPKBXLQECOAJP-UHFFFAOYSA-N 0 1 397.910 3.678 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(Cc4cccc(F)c4)s3)cc2)CC1 ZINC000777518475 931339687 /nfs/dbraw/zinc/33/96/87/931339687.db2.gz PRSBNXCXAWFGQZ-UHFFFAOYSA-N 0 1 397.523 3.632 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(Br)s1)[C@@H](O)CO2 ZINC000784029391 931761029 /nfs/dbraw/zinc/76/10/29/931761029.db2.gz HMZQWVMZPKIZJW-OCCSQVGLSA-N 0 1 396.306 3.979 20 10 GHCDMN COc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccc1O ZINC000797820413 932417127 /nfs/dbraw/zinc/41/71/27/932417127.db2.gz WQLGZCZYXVKRPG-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1[O-] ZINC000799201845 932913478 /nfs/dbraw/zinc/91/34/78/932913478.db2.gz CCZHKZLXMHWTJO-MRXNPFEDSA-N 0 1 382.476 3.763 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[O-] ZINC000777808861 933570351 /nfs/dbraw/zinc/57/03/51/933570351.db2.gz KFZVXPSCXKXGRR-MRXNPFEDSA-N 0 1 394.450 3.899 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[O-] ZINC000777808861 933570356 /nfs/dbraw/zinc/57/03/56/933570356.db2.gz KFZVXPSCXKXGRR-MRXNPFEDSA-N 0 1 394.450 3.899 20 10 GHCDMN CC[C@H]1CCC[C@]1(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124518122 935403000 /nfs/dbraw/zinc/40/30/00/935403000.db2.gz RNEQXXMLORKYKE-CVDCTZTESA-N 0 1 387.568 3.540 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001599866518 989271857 /nfs/dbraw/zinc/27/18/57/989271857.db2.gz MBRUWZNXXDJZOQ-UKRRQHHQSA-N 0 1 381.314 3.592 20 10 GHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C(=O)[O-] ZINC001598505893 992502985 /nfs/dbraw/zinc/50/29/85/992502985.db2.gz SANVRBNCMICJIE-FQEVSTJZSA-N 0 1 382.435 3.761 20 10 GHCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598519127 992656582 /nfs/dbraw/zinc/65/65/82/992656582.db2.gz KNSRGSRRGBCCLB-UHFFFAOYSA-N 0 1 383.448 3.915 20 10 GHCDMN CC[C@@H](COC)Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227662302 1032509270 /nfs/dbraw/zinc/50/92/70/1032509270.db2.gz IXBJJDXWUPRMNL-JTQLQIEISA-N 0 1 386.356 3.613 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001204211803 1032662037 /nfs/dbraw/zinc/66/20/37/1032662037.db2.gz FUKXFITYKHHIGD-CQSZACIVSA-N 0 1 393.314 3.974 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1C(=O)Cc1cccc(Cl)c1 ZINC001204211803 1032662040 /nfs/dbraw/zinc/66/20/40/1032662040.db2.gz FUKXFITYKHHIGD-CQSZACIVSA-N 0 1 393.314 3.974 20 10 GHCDMN CN(C)c1ccc(CN2CC3CC2(C(=O)NCc2ccco2)C3)c2ccccc21 ZINC001204237608 1032683003 /nfs/dbraw/zinc/68/30/03/1032683003.db2.gz LCWJESZUHQIPMJ-UHFFFAOYSA-N 0 1 389.499 3.780 20 10 GHCDMN COc1cc(CN2CCC[C@H](OCc3ccc(Cl)cc3)C2)cc(O)c1O ZINC001204345435 1032785952 /nfs/dbraw/zinc/78/59/52/1032785952.db2.gz SGMYUDNCMLQKIE-KRWDZBQOSA-N 0 1 377.868 3.941 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4ccccc4n3)CC2)cc1 ZINC001204507807 1032938146 /nfs/dbraw/zinc/93/81/46/1032938146.db2.gz WHTXOJIUQZDAEP-UHFFFAOYSA-N 0 1 377.488 3.582 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cccc(OC(F)F)c3)SC2=S)CC1 ZINC000195291589 1020970141 /nfs/dbraw/zinc/97/01/41/1020970141.db2.gz PSPWNTPNARMKNZ-GXDHUFHOSA-N 0 1 384.473 3.583 20 10 GHCDMN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1=O ZINC001140339685 1021447224 /nfs/dbraw/zinc/44/72/24/1021447224.db2.gz LKFXSKZWSOTQIB-GOSISDBHSA-N 0 1 384.907 3.884 20 10 GHCDMN CCN1CC[C@@]2(C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001140340165 1021448304 /nfs/dbraw/zinc/44/83/04/1021448304.db2.gz RUAZALPYOZCFCM-GCJKJVERSA-N 0 1 384.907 3.884 20 10 GHCDMN CCN1CC[C@@]2(C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]2c2ccccc2)C1=O ZINC001140340165 1021448312 /nfs/dbraw/zinc/44/83/12/1021448312.db2.gz RUAZALPYOZCFCM-GCJKJVERSA-N 0 1 384.907 3.884 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)ccc1[O-] ZINC000834915783 1021677735 /nfs/dbraw/zinc/67/77/35/1021677735.db2.gz ZVKUUAJNJZBAFP-UKPHBRMFSA-N 0 1 394.313 3.849 20 10 GHCDMN CSc1nc(Cl)cc(N2CCC[N@H+](Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140464517 1021755460 /nfs/dbraw/zinc/75/54/60/1021755460.db2.gz SQUVNZFTKIXCEQ-UHFFFAOYSA-N 0 1 399.347 3.923 20 10 GHCDMN CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140464517 1021755462 /nfs/dbraw/zinc/75/54/62/1021755462.db2.gz SQUVNZFTKIXCEQ-UHFFFAOYSA-N 0 1 399.347 3.923 20 10 GHCDMN CN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)Cc1ccccn1 ZINC001140473913 1021770417 /nfs/dbraw/zinc/77/04/17/1021770417.db2.gz ITYDTVFUTYYBOR-UHFFFAOYSA-N 0 1 396.535 3.771 20 10 GHCDMN COCCOc1c(Cl)cccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000835031525 1021789165 /nfs/dbraw/zinc/78/91/65/1021789165.db2.gz JINCXUAOJVJZSN-UHFFFAOYSA-N 0 1 389.927 3.729 20 10 GHCDMN COC(=O)c1cccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2F)c1 ZINC001140667135 1022218514 /nfs/dbraw/zinc/21/85/14/1022218514.db2.gz IOZRIHUPXASYEP-JOCHJYFZSA-N 0 1 398.478 3.786 20 10 GHCDMN Cc1cccc(N2CCC[C@@]3(CN(Cc4ccc(O)c(C)c4O)CCO3)C2)c1 ZINC001140745186 1022412983 /nfs/dbraw/zinc/41/29/83/1022412983.db2.gz ZHDOVTODGSQJKB-HSZRJFAPSA-N 0 1 382.504 3.586 20 10 GHCDMN Cc1cc(C(=O)CN(CC(C)(C)O)C2CCOCC2)c(C)n1-c1ccccc1C ZINC000754660527 1022815224 /nfs/dbraw/zinc/81/52/24/1022815224.db2.gz UMOIQAMIEHOCMR-UHFFFAOYSA-N 0 1 398.547 3.837 20 10 GHCDMN COc1cc(O)c(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC001141028807 1023278317 /nfs/dbraw/zinc/27/83/17/1023278317.db2.gz AQMNFVXQTIDLHX-UHFFFAOYSA-N 0 1 386.275 3.711 20 10 GHCDMN CCOc1cccc(CN(CCO)Cc2cc(Br)cs2)c1O ZINC000756119182 1023527961 /nfs/dbraw/zinc/52/79/61/1023527961.db2.gz FEEHINOZFLDJGH-UHFFFAOYSA-N 0 1 386.311 3.609 20 10 GHCDMN CN1CCOc2cc(CN3CCC(C(=O)c4ccc(F)cc4F)CC3)ccc21 ZINC001141143939 1023581153 /nfs/dbraw/zinc/58/11/53/1023581153.db2.gz ORXKIDIWXCIMHG-UHFFFAOYSA-N 0 1 386.442 3.888 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(Br)cc1[O-] ZINC000756391453 1023625745 /nfs/dbraw/zinc/62/57/45/1023625745.db2.gz CJAORKYAIBQXPX-ZDUSSCGKSA-N 0 1 387.281 3.645 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000756413996 1023635590 /nfs/dbraw/zinc/63/55/90/1023635590.db2.gz HKMUWARKZLRGHC-GFCCVEGCSA-N 0 1 383.330 3.842 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000756477440 1023676087 /nfs/dbraw/zinc/67/60/87/1023676087.db2.gz XOBMLQBZWACLBN-JSGCOSHPSA-N 0 1 375.266 3.611 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])cc2F)CC1 ZINC000756554667 1023712401 /nfs/dbraw/zinc/71/24/01/1023712401.db2.gz PDLYKRHOPNXSFM-AWEZNQCLSA-N 0 1 393.453 3.802 20 10 GHCDMN Cc1ccc(C(F)(F)NCc2ccc(N3CCN(C)CC3)cc2)nc1Cl ZINC001156657211 1033161136 /nfs/dbraw/zinc/16/11/36/1033161136.db2.gz HRVOSWMEXWQFLI-UHFFFAOYSA-N 0 1 380.870 3.634 20 10 GHCDMN Cc1ccc(Cl)nc1C(F)(F)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156656942 1033161300 /nfs/dbraw/zinc/16/13/00/1033161300.db2.gz CYYHIHDSLBYQHQ-UHFFFAOYSA-N 0 1 380.870 3.634 20 10 GHCDMN C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(Br)ccc1[O-] ZINC000756709019 1023783382 /nfs/dbraw/zinc/78/33/82/1023783382.db2.gz VGRAKOQRVAWUOD-CYBMUJFWSA-N 0 1 395.341 3.987 20 10 GHCDMN Cc1nc2sc3c(c2c(NCc2ccc(N4CCN(C)CC4)cc2)n1)CCC3 ZINC001156658116 1033161420 /nfs/dbraw/zinc/16/14/20/1033161420.db2.gz SMKWCDCTGMUFQV-UHFFFAOYSA-N 0 1 393.560 3.852 20 10 GHCDMN CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756734568 1023792892 /nfs/dbraw/zinc/79/28/92/1023792892.db2.gz XDGJXQVZTCNJBI-AWEZNQCLSA-N 0 1 377.868 3.881 20 10 GHCDMN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756776427 1023810574 /nfs/dbraw/zinc/81/05/74/1023810574.db2.gz ZEXCMEYQWMEJTN-SMDDNHRTSA-N 0 1 378.266 3.818 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126935 1024172912 /nfs/dbraw/zinc/17/29/12/1024172912.db2.gz NHXOSCIUBYNESK-JOCHJYFZSA-N 0 1 386.442 3.685 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001138126916 1024174164 /nfs/dbraw/zinc/17/41/64/1024174164.db2.gz MQBWRTBLPPGXTO-GHTZIAJQSA-N 0 1 390.430 3.516 20 10 GHCDMN Nc1ccc(Cc2nc(C(=O)O[C@H]3CCN(Cc4ccccc4)C3)cs2)cc1 ZINC000837631900 1024599525 /nfs/dbraw/zinc/59/95/25/1024599525.db2.gz ZZQMNJLIFFFDAE-IBGZPJMESA-N 0 1 393.512 3.747 20 10 GHCDMN CN1CCCc2cc(CN3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)ccc21 ZINC001138357264 1024721435 /nfs/dbraw/zinc/72/14/35/1024721435.db2.gz PLFUEGHCIALYMN-UEVCKROQSA-N 0 1 393.531 3.522 20 10 GHCDMN Cc1csc([C@H]2C[C@@H]3CCN(Cc4ccc(N5CCOCC5)cc4)C[C@H]3O2)n1 ZINC001138497828 1024929333 /nfs/dbraw/zinc/92/93/33/1024929333.db2.gz NZHZZWFTTDPIPN-CEWLAPEOSA-N 0 1 399.560 3.640 20 10 GHCDMN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(Br)c2)cn1 ZINC001138678331 1025203533 /nfs/dbraw/zinc/20/35/33/1025203533.db2.gz ZRYQOJDFWVMYIS-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN Fc1ccc2oc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)cc2c1 ZINC000839146342 1025643329 /nfs/dbraw/zinc/64/33/29/1025643329.db2.gz DOINQGSVLMPFJF-UHFFFAOYSA-N 0 1 376.378 3.977 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001139126832 1025939011 /nfs/dbraw/zinc/93/90/11/1025939011.db2.gz RSDNQZNYOOXKQM-IBGZPJMESA-N 0 1 393.439 3.515 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001139126832 1025939014 /nfs/dbraw/zinc/93/90/14/1025939014.db2.gz RSDNQZNYOOXKQM-IBGZPJMESA-N 0 1 393.439 3.515 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001139132655 1025945168 /nfs/dbraw/zinc/94/51/68/1025945168.db2.gz YVZUDJBYHAZXJW-UHFFFAOYSA-N 0 1 387.439 3.551 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC001461096062 1069386854 /nfs/dbraw/zinc/38/68/54/1069386854.db2.gz NVGKVLPPCMXTBI-ZDUSSCGKSA-N 0 1 389.801 3.902 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cncc(C(F)(F)F)c3)CC2)cc1 ZINC001164334682 1026489449 /nfs/dbraw/zinc/48/94/49/1026489449.db2.gz XGLFXJOXAFWGMQ-UHFFFAOYSA-N 0 1 394.441 3.733 20 10 GHCDMN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139681070 1026535826 /nfs/dbraw/zinc/53/58/26/1026535826.db2.gz HMFYYSPTALXBCF-HIFRSBDPSA-N 0 1 399.416 3.982 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001139682261 1026537356 /nfs/dbraw/zinc/53/73/56/1026537356.db2.gz UNYWXRUKFNXURQ-NQIIRXRSSA-N 0 1 390.430 3.516 20 10 GHCDMN Oc1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001140054245 1026833760 /nfs/dbraw/zinc/83/37/60/1026833760.db2.gz NJYOBDBWCBYSNY-LJQANCHMSA-N 0 1 377.410 3.664 20 10 GHCDMN COc1cc(OC2CC[NH+](Cc3c([O-])cccc3Br)CC2)ccn1 ZINC001140101912 1026880819 /nfs/dbraw/zinc/88/08/19/1026880819.db2.gz DGRSPTCKJZGUIU-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cc(OC2CCN(Cc3c(O)cccc3Br)CC2)ccn1 ZINC001140101912 1026880828 /nfs/dbraw/zinc/88/08/28/1026880828.db2.gz DGRSPTCKJZGUIU-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN CN(C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)C(=O)OC(C)(C)C ZINC001140103005 1026884274 /nfs/dbraw/zinc/88/42/74/1026884274.db2.gz DMFDLMDTWAPSAA-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)C(=O)OC(C)(C)C ZINC001140103005 1026884282 /nfs/dbraw/zinc/88/42/82/1026884282.db2.gz DMFDLMDTWAPSAA-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN O=S(=O)(c1cc(O)cc(F)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC001210039713 1027325595 /nfs/dbraw/zinc/32/55/95/1027325595.db2.gz WXEDGAAUYSFIQH-UHFFFAOYSA-N 0 1 379.453 3.761 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203655903 1027509131 /nfs/dbraw/zinc/50/91/31/1027509131.db2.gz DQQUOWKQJFOJLH-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203655903 1027509144 /nfs/dbraw/zinc/50/91/44/1027509144.db2.gz DQQUOWKQJFOJLH-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001203657954 1027513250 /nfs/dbraw/zinc/51/32/50/1027513250.db2.gz IVNOMHWOTYESGB-RTWAWAEBSA-N 0 1 386.923 3.563 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001203657954 1027513266 /nfs/dbraw/zinc/51/32/66/1027513266.db2.gz IVNOMHWOTYESGB-RTWAWAEBSA-N 0 1 386.923 3.563 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203657748 1027513914 /nfs/dbraw/zinc/51/39/14/1027513914.db2.gz FTFGMJPXAJVIHL-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001203657748 1027513930 /nfs/dbraw/zinc/51/39/30/1027513930.db2.gz FTFGMJPXAJVIHL-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cc(C)c(OC)cc3C)CC2)cc1 ZINC001203758633 1027582009 /nfs/dbraw/zinc/58/20/09/1027582009.db2.gz OPGLBTGXKKMOEB-UHFFFAOYSA-N 0 1 384.520 3.659 20 10 GHCDMN Cc1cnn(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2F)c1 ZINC001461296686 1069485597 /nfs/dbraw/zinc/48/55/97/1069485597.db2.gz IHSYLGCELHZRLU-UHFFFAOYSA-N 0 1 379.483 3.684 20 10 GHCDMN Fc1ccc2c(c1)OCCC[C@@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758233 1027795858 /nfs/dbraw/zinc/79/58/58/1027795858.db2.gz DZZSDVYPLQVUJL-IBGZPJMESA-N 0 1 392.421 3.944 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000840876968 1027915069 /nfs/dbraw/zinc/91/50/69/1027915069.db2.gz VKKZQUMANSXZAB-UHFFFAOYSA-N 0 1 376.859 3.888 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840946518 1027976639 /nfs/dbraw/zinc/97/66/39/1027976639.db2.gz PMZZKZRAJBEJRI-QWRGUYRKSA-N 0 1 382.917 3.521 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1F ZINC001461361060 1069519041 /nfs/dbraw/zinc/51/90/41/1069519041.db2.gz ODHUAGHBYWZDTE-LBPRGKRZSA-N 0 1 397.828 3.718 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)c(F)c3)cc2)CC1 ZINC001214684745 1028859791 /nfs/dbraw/zinc/85/97/91/1028859791.db2.gz UZMMTPZGTQJCFY-UHFFFAOYSA-N 0 1 376.863 3.553 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841756777 1028915961 /nfs/dbraw/zinc/91/59/61/1028915961.db2.gz KCEGWALKFZRTSY-DZGCQCFKSA-N 0 1 384.904 3.722 20 10 GHCDMN COc1cc([O-])c(CN2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)c1 ZINC001222661044 1030266181 /nfs/dbraw/zinc/26/61/81/1030266181.db2.gz YNFPCAWJVSFRMS-HNNXBMFYSA-N 0 1 378.822 3.561 20 10 GHCDMN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC001223197739 1030481282 /nfs/dbraw/zinc/48/12/82/1030481282.db2.gz MIYZMAKYVQFAFQ-OAQYLSRUSA-N 0 1 380.536 3.559 20 10 GHCDMN Cn1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc2ccccc21 ZINC001150347402 1030498041 /nfs/dbraw/zinc/49/80/41/1030498041.db2.gz JBNNCXLRHBMYBN-SFHVURJKSA-N 0 1 397.906 3.932 20 10 GHCDMN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC001223347580 1030532774 /nfs/dbraw/zinc/53/27/74/1030532774.db2.gz IUQPPIZOYFFESG-JOCHJYFZSA-N 0 1 380.536 3.635 20 10 GHCDMN Cc1c([O-])cc2c(c1O[C@@H]1C[NH2+]Cc3ccccc31)C(=O)c1ccccc1C2=O ZINC001218486933 1030957626 /nfs/dbraw/zinc/95/76/26/1030957626.db2.gz GHLIUOKRDOFNIO-HXUWFJFHSA-N 0 1 385.419 3.699 20 10 GHCDMN CN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC001277015943 1031220897 /nfs/dbraw/zinc/22/08/97/1031220897.db2.gz JEXUAYZJGFOBCY-LJQANCHMSA-N 0 1 389.293 3.505 20 10 GHCDMN COC(=O)[C@@H]1[C@@H](CN(C)Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1(F)F ZINC001461860107 1069800632 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3.954 20 10 GHCDMN Cc1nc(COC[C@H]2Cn3ccnc3CN(Cc3cccc(C)c3O)C2)cs1 ZINC001231593091 1034747592 /nfs/dbraw/zinc/74/75/92/1034747592.db2.gz MXBJFBYBMFJDHG-QGZVFWFLSA-N 0 1 398.532 3.511 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001231869381 1034956625 /nfs/dbraw/zinc/95/66/25/1034956625.db2.gz NOPFEUJRABLTBG-JOCHJYFZSA-N 0 1 399.922 3.906 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001231869381 1034956626 /nfs/dbraw/zinc/95/66/26/1034956626.db2.gz NOPFEUJRABLTBG-JOCHJYFZSA-N 0 1 399.922 3.906 20 10 GHCDMN Oc1c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)ccc2ccccc21 ZINC001231880174 1034963720 /nfs/dbraw/zinc/96/37/20/1034963720.db2.gz HVQLNAHLKOJYJX-GOSISDBHSA-N 0 1 377.488 3.801 20 10 GHCDMN Cn1ccc(CN2CCCC23CC[NH+](Cc2ccc4ccccc4c2[O-])CC3)n1 ZINC001231881501 1034964923 /nfs/dbraw/zinc/96/49/23/1034964923.db2.gz WYUJLWCMOQEFEY-UHFFFAOYSA-N 0 1 390.531 3.910 20 10 GHCDMN Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc5ccccc5c4[O-])C[C@@H]3C2=O)c1 ZINC001231880475 1034965046 /nfs/dbraw/zinc/96/50/46/1034965046.db2.gz NGKWMZNIOZFNML-GMAHTHKFSA-N 0 1 386.495 3.944 20 10 GHCDMN Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccc5ccccc5c4[O-])C[C@@H]3C2=O)c1 ZINC001231880475 1034965048 /nfs/dbraw/zinc/96/50/48/1034965048.db2.gz NGKWMZNIOZFNML-GMAHTHKFSA-N 0 1 386.495 3.944 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(Cl)c2[O-])C2COC2)CC1 ZINC001231912507 1034987064 /nfs/dbraw/zinc/98/70/64/1034987064.db2.gz JSHBBGWUCRWTCI-UHFFFAOYSA-N 0 1 396.915 3.646 20 10 GHCDMN [O-]c1c(Cl)cccc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001231911517 1034987105 /nfs/dbraw/zinc/98/71/05/1034987105.db2.gz MVRUVIHVRNGEAY-SJLPKXTDSA-N 0 1 376.859 3.522 20 10 GHCDMN CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2cccc(Cl)c2[O-])cn1 ZINC001231912157 1034987173 /nfs/dbraw/zinc/98/71/73/1034987173.db2.gz WQXJEDUNGZOXFB-UHFFFAOYSA-N 0 1 387.915 3.815 20 10 GHCDMN CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2cccc(Cl)c2[O-])cn1 ZINC001231912157 1034987174 /nfs/dbraw/zinc/98/71/74/1034987174.db2.gz WQXJEDUNGZOXFB-UHFFFAOYSA-N 0 1 387.915 3.815 20 10 GHCDMN CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2cccc(Cl)c2O)cn1 ZINC001231912157 1034987176 /nfs/dbraw/zinc/98/71/76/1034987176.db2.gz WQXJEDUNGZOXFB-UHFFFAOYSA-N 0 1 387.915 3.815 20 10 GHCDMN Cc1nc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2c(=O)[nH]1 ZINC001160598882 1035013857 /nfs/dbraw/zinc/01/38/57/1035013857.db2.gz AYTXSPNXJPUQDW-UHFFFAOYSA-N 0 1 378.215 3.586 20 10 GHCDMN Clc1cc(CN2CC[C@H](OCc3ccccc3)C2)ccc1N1CCOCC1 ZINC001232201092 1035157813 /nfs/dbraw/zinc/15/78/13/1035157813.db2.gz GRFWEZJCLIYHKL-FQEVSTJZSA-N 0 1 386.923 3.968 20 10 GHCDMN Clc1cc(CN2CCC(Oc3ccccn3)CC2)ccc1N1CCOCC1 ZINC001232202932 1035159888 /nfs/dbraw/zinc/15/98/88/1035159888.db2.gz IOKCKYKUFGVDMX-UHFFFAOYSA-N 0 1 387.911 3.615 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001209519671 1035301253 /nfs/dbraw/zinc/30/12/53/1035301253.db2.gz DMSZKKOQVPCIQV-PZJWPPBQSA-N 0 1 399.535 3.554 20 10 GHCDMN CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(I)c2[O-])C1 ZINC001248494092 1035913084 /nfs/dbraw/zinc/91/30/84/1035913084.db2.gz HOTLBONRHHSWDI-NSHDSACASA-N 0 1 375.250 3.627 20 10 GHCDMN CCOC(=O)c1cc2c(cc(C)nc2-c2ccc(C(=O)N(CC)CC)nc2)n1C ZINC001243766512 1036276710 /nfs/dbraw/zinc/27/67/10/1036276710.db2.gz WPDQRGGNHCEVPN-UHFFFAOYSA-N 0 1 394.475 3.602 20 10 GHCDMN COc1cc(C)cc(CN[C@H]2COc3cc(F)c(Br)cc32)c1O ZINC001462145331 1070032944 /nfs/dbraw/zinc/03/29/44/1070032944.db2.gz HIHJEUPDPLQHLV-AWEZNQCLSA-N 0 1 382.229 3.834 20 10 GHCDMN COc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1Cl ZINC001232266357 1037987524 /nfs/dbraw/zinc/98/75/24/1037987524.db2.gz LSHXAFSYIHTXOU-ZDUSSCGKSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001232267085 1037987851 /nfs/dbraw/zinc/98/78/51/1037987851.db2.gz WCFZYAYJOQUFDI-HXUWFJFHSA-N 0 1 396.915 3.887 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001232267085 1037987856 /nfs/dbraw/zinc/98/78/56/1037987856.db2.gz WCFZYAYJOQUFDI-HXUWFJFHSA-N 0 1 396.915 3.887 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232268361 1037990201 /nfs/dbraw/zinc/99/02/01/1037990201.db2.gz PDYHQAQKJVQEDF-CJNGLKHVSA-N 0 1 396.915 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232268361 1037990204 /nfs/dbraw/zinc/99/02/04/1037990204.db2.gz PDYHQAQKJVQEDF-CJNGLKHVSA-N 0 1 396.915 3.886 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC001462246799 1070117082 /nfs/dbraw/zinc/11/70/82/1070117082.db2.gz GSFTWGZPPUUIGT-QWHCGFSZSA-N 0 1 389.293 3.611 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc(O)c(CN3CCC[C@H](F)C3)c2)nc1C ZINC001232453153 1038235857 /nfs/dbraw/zinc/23/58/57/1038235857.db2.gz ZKLFRSLHDHBDHS-HNNXBMFYSA-N 0 1 378.469 3.935 20 10 GHCDMN [O-]c1cc(I)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001232978417 1038748008 /nfs/dbraw/zinc/74/80/08/1038748008.db2.gz GPAZPIDOMMMERN-UHFFFAOYSA-N 0 1 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GHCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[O-])cc1C(F)(F)F ZINC001308726164 1050072822 /nfs/dbraw/zinc/07/28/22/1050072822.db2.gz CGQVPJNYMMDYRQ-UHFFFAOYSA-N 0 1 393.814 3.758 20 10 GHCDMN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1CO ZINC001308873799 1050133371 /nfs/dbraw/zinc/13/33/71/1050133371.db2.gz OLFMUGWCPATERF-RDJZCZTQSA-N 0 1 381.358 3.890 20 10 GHCDMN CCOc1ccc(N2CCN(CC[C@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC001328393353 1050493681 /nfs/dbraw/zinc/49/36/81/1050493681.db2.gz GJKYNNCLMPLGGE-OAQYLSRUSA-N 0 1 397.544 3.710 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3scnc32)C1 ZINC001328538865 1050538371 /nfs/dbraw/zinc/53/83/71/1050538371.db2.gz RVTQQMXVNPHMLJ-CYBMUJFWSA-N 0 1 375.885 3.522 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncnc3scnc32)C1 ZINC001328538865 1050538388 /nfs/dbraw/zinc/53/83/88/1050538388.db2.gz RVTQQMXVNPHMLJ-CYBMUJFWSA-N 0 1 375.885 3.522 20 10 GHCDMN CC(C)C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)Nc1nccs1 ZINC001328687781 1050592482 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/nfs/dbraw/zinc/87/29/61/860872961.db2.gz GLVZIUMUVJGUHB-XLIONFOSSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)cc(C)c3)cc2F)CC1 ZINC000730132530 860872983 /nfs/dbraw/zinc/87/29/83/860872983.db2.gz FFKNQAAXYOGYIR-UHFFFAOYSA-N 0 1 384.499 3.906 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000730134309 860873618 /nfs/dbraw/zinc/87/36/18/860873618.db2.gz XUCBHQNPYXVFAB-HKUYNNGSSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000730192486 860934895 /nfs/dbraw/zinc/93/48/95/860934895.db2.gz BNWHCROTVISDKG-QZTJIDSGSA-N 0 1 375.532 3.800 20 10 GHCDMN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(F)c(F)c1O ZINC000281692738 863324025 /nfs/dbraw/zinc/32/40/25/863324025.db2.gz SFDHICVCUZBBSX-SJKOYZFVSA-N 0 1 376.403 3.761 20 10 GHCDMN CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CC1 ZINC000735384156 864763574 /nfs/dbraw/zinc/76/35/74/864763574.db2.gz OBOMNQKPJPETLN-SFHVURJKSA-N 0 1 390.547 3.689 20 10 GHCDMN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738220982 865503060 /nfs/dbraw/zinc/50/30/60/865503060.db2.gz OKQHRZAKASSWDV-JOCHJYFZSA-N 0 1 381.520 3.944 20 10 GHCDMN CC[N@H+](Cc1ccc(C(=O)NC)cc1)Cc1cc(Br)ccc1[O-] ZINC000174425520 865790768 /nfs/dbraw/zinc/79/07/68/865790768.db2.gz FZCNNCDROBVMMC-UHFFFAOYSA-N 0 1 377.282 3.536 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1cc(Br)ccc1[O-] ZINC000174425520 865790770 /nfs/dbraw/zinc/79/07/70/865790770.db2.gz FZCNNCDROBVMMC-UHFFFAOYSA-N 0 1 377.282 3.536 20 10 GHCDMN C[C@H](C(=O)NCCc1ccccc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741709459 866745091 /nfs/dbraw/zinc/74/50/91/866745091.db2.gz JZEIGHUYXIUTOS-HXUWFJFHSA-N 0 1 379.548 3.856 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cn(-c4ccccc4)nn3)C2)cc1 ZINC000742385030 867251079 /nfs/dbraw/zinc/25/10/79/867251079.db2.gz PYAKSPHOQWQBIY-MRXNPFEDSA-N 0 1 399.445 3.627 20 10 GHCDMN Cc1ccoc1CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000553606708 867745687 /nfs/dbraw/zinc/74/56/87/867745687.db2.gz KFMAJEFLZFUCGI-UHFFFAOYSA-N 0 1 379.504 3.968 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccc(C)cc1 ZINC000743870852 868469883 /nfs/dbraw/zinc/46/98/83/868469883.db2.gz DQGDJPXHPFLSGH-QGZVFWFLSA-N 0 1 394.309 3.725 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccc(C)cc1 ZINC000743870852 868469886 /nfs/dbraw/zinc/46/98/86/868469886.db2.gz DQGDJPXHPFLSGH-QGZVFWFLSA-N 0 1 394.309 3.725 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000065482056 882338289 /nfs/dbraw/zinc/33/82/89/882338289.db2.gz JCUSXBIVOWEHRX-HXUWFJFHSA-N 0 1 384.524 3.762 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000775521876 870286501 /nfs/dbraw/zinc/28/65/01/870286501.db2.gz CXDFXDSAHALMDL-HOCLYGCPSA-N 0 1 384.314 3.924 20 10 GHCDMN Cc1cccc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1O ZINC000181348040 870894297 /nfs/dbraw/zinc/89/42/97/870894297.db2.gz ZDBYWNNMNOYFIU-OAQYLSRUSA-N 0 1 381.497 3.983 20 10 GHCDMN COc1ccc(N2CCN([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001168879123 870965044 /nfs/dbraw/zinc/96/50/44/870965044.db2.gz GBWNXVIOGONSLF-MSOLQXFVSA-N 0 1 389.540 3.524 20 10 GHCDMN O=C1c2cccc(NS(=O)(=O)CC3CCC3)c2C(=O)c2cccc(Cl)c21 ZINC001193514575 871153690 /nfs/dbraw/zinc/15/36/90/871153690.db2.gz AEOIOGQNXGRZGS-UHFFFAOYSA-N 0 1 389.860 3.657 20 10 GHCDMN COCCC1(CNC(=O)c2cc(O)c(O)c(Cl)c2)CCC(F)(F)CC1 ZINC001193633888 871201149 /nfs/dbraw/zinc/20/11/49/871201149.db2.gz KAGFQNYYZQQBRN-UHFFFAOYSA-N 0 1 377.815 3.713 20 10 GHCDMN C[C@@H](C(=O)NCc1ccccc1F)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758991 882521340 /nfs/dbraw/zinc/52/13/40/882521340.db2.gz WDLVDADBLOTCJC-SFHVURJKSA-N 0 1 383.511 3.953 20 10 GHCDMN COc1ccc(CN2CCCN(Cc3cc4c(cc3O)CCCC4)CC2=O)cc1 ZINC000767520276 872590626 /nfs/dbraw/zinc/59/06/26/872590626.db2.gz CQBUBUWYPBYYNR-UHFFFAOYSA-N 0 1 394.515 3.514 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccccc2O)C1 ZINC000768029791 873033816 /nfs/dbraw/zinc/03/38/16/873033816.db2.gz DJYUTGZWYPUENN-UHFFFAOYSA-N 0 1 391.515 3.772 20 10 GHCDMN CCN(Cc1ccccc1Br)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441215 873305503 /nfs/dbraw/zinc/30/55/03/873305503.db2.gz XHSHQPSYLIYVSG-KRWDZBQOSA-N 0 1 378.266 3.603 20 10 GHCDMN COc1cc(O)c(CN(C)Cc2cc(OC)c(OC)cc2SC)cc1OC ZINC000768444652 873308740 /nfs/dbraw/zinc/30/87/40/873308740.db2.gz BBMPPHLZNLNLAZ-UHFFFAOYSA-N 0 1 393.505 3.781 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)cc(F)c1 ZINC000768915117 873683194 /nfs/dbraw/zinc/68/31/94/873683194.db2.gz JNRMPTVGQNGNNE-KRWDZBQOSA-N 0 1 380.822 3.718 20 10 GHCDMN COc1ccc([C@@H](CO)N(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000769425903 874046714 /nfs/dbraw/zinc/04/67/14/874046714.db2.gz ZAPRKMCYMGEKPT-JOCHJYFZSA-N 0 1 399.491 3.759 20 10 GHCDMN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)c(O)c1 ZINC000769483210 874064532 /nfs/dbraw/zinc/06/45/32/874064532.db2.gz HANRWULDCBUZQR-YJBOKZPZSA-N 0 1 378.513 3.916 20 10 GHCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc4ccccc43)c2)CC1 ZINC000769848919 874324294 /nfs/dbraw/zinc/32/42/94/874324294.db2.gz RQGDMTLLLCEPBS-UHFFFAOYSA-N 0 1 395.528 3.783 20 10 GHCDMN CCN(CC)C(=O)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858094088 882837225 /nfs/dbraw/zinc/83/72/25/882837225.db2.gz BVQVCHVGJNKKSE-UHFFFAOYSA-N 0 1 375.463 3.803 20 10 GHCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)ns2)C1 ZINC000804445729 882888239 /nfs/dbraw/zinc/88/82/39/882888239.db2.gz MKIGVTFOOJZJDP-LLVKDONJSA-N 0 1 392.834 3.992 20 10 GHCDMN Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2nc(C(F)(F)F)ns2)C1 ZINC000804445729 882888259 /nfs/dbraw/zinc/88/82/59/882888259.db2.gz MKIGVTFOOJZJDP-LLVKDONJSA-N 0 1 392.834 3.992 20 10 GHCDMN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2c([O-])cccc2Br)C1 ZINC001202049868 875978586 /nfs/dbraw/zinc/97/85/86/875978586.db2.gz GRQBKDIRPMBXIR-CHWSQXEVSA-N 0 1 385.302 3.501 20 10 GHCDMN COc1cc(O)c(CNCc2ccc(Br)c(F)c2F)cc1OC ZINC000529660373 876472234 /nfs/dbraw/zinc/47/22/34/876472234.db2.gz FMSVLAMETLCYRF-UHFFFAOYSA-N 0 1 388.208 3.740 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1[O-] ZINC000850580886 877054400 /nfs/dbraw/zinc/05/44/00/877054400.db2.gz BPBXARJPDUUMJN-ANRSDYALSA-N 0 1 390.199 3.956 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1[O-] ZINC000787016059 877122618 /nfs/dbraw/zinc/12/26/18/877122618.db2.gz WOJKZMMDOPCKSV-DDBGAENHSA-N 0 1 394.265 3.656 20 10 GHCDMN CCCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000787327700 877348765 /nfs/dbraw/zinc/34/87/65/877348765.db2.gz KRYVUXRZJVKQNR-MRXNPFEDSA-N 0 1 386.492 3.957 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000787684968 877554003 /nfs/dbraw/zinc/55/40/03/877554003.db2.gz CBRWURKNNCENOP-MOPGFXCFSA-N 0 1 378.394 3.547 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000787684970 877554427 /nfs/dbraw/zinc/55/44/27/877554427.db2.gz CBRWURKNNCENOP-OALUTQOASA-N 0 1 378.394 3.547 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CC(O)(c2ccc(Br)cc2)C1 ZINC001183065471 912257821 /nfs/dbraw/zinc/25/78/21/912257821.db2.gz LSCROXUPDHIAJL-UHFFFAOYSA-N 0 1 386.648 3.651 20 10 GHCDMN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000746766585 878349779 /nfs/dbraw/zinc/34/97/79/878349779.db2.gz GQXTTWAHXOPHBD-NRFANRHFSA-N 0 1 398.938 3.818 20 10 GHCDMN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000789367793 878907024 /nfs/dbraw/zinc/90/70/24/878907024.db2.gz WPJPMQQCPWUNHJ-CYBMUJFWSA-N 0 1 386.423 3.884 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853491286 879059297 /nfs/dbraw/zinc/05/92/97/879059297.db2.gz PQJFNZIVVPURMH-UHFFFAOYSA-N 0 1 394.479 3.787 20 10 GHCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180898016 879466402 /nfs/dbraw/zinc/46/64/02/879466402.db2.gz ZDIKIGBVCVJDSQ-GOSISDBHSA-N 0 1 388.515 3.782 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000790411637 879690342 /nfs/dbraw/zinc/69/03/42/879690342.db2.gz LLZXZHXYACMGIU-UHFFFAOYSA-N 0 1 379.331 3.750 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCc4[nH]cnc4C3)cc2Cl)C1 ZINC000854343362 879740858 /nfs/dbraw/zinc/74/08/58/879740858.db2.gz DKWIOCYUFBDZOX-ZBFHGGJFSA-N 0 1 386.927 3.721 20 10 GHCDMN Cc1c(S(=O)(=O)Nc2ccc(O)c(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000776747837 879883049 /nfs/dbraw/zinc/88/30/49/879883049.db2.gz NNQKQPMYUQAJIY-UHFFFAOYSA-N 0 1 377.853 3.649 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695123 880087727 /nfs/dbraw/zinc/08/77/27/880087727.db2.gz JDCBNLIKVXZYLZ-MRXNPFEDSA-N 0 1 384.520 3.928 20 10 GHCDMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000792162079 880929293 /nfs/dbraw/zinc/92/92/93/880929293.db2.gz BMNKAELSJGOKBF-CYBMUJFWSA-N 0 1 377.847 3.739 20 10 GHCDMN CCOc1ccccc1C(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162541 880951472 /nfs/dbraw/zinc/95/14/72/880951472.db2.gz KVMLZPYLPDMBOM-UHFFFAOYSA-N 0 1 392.858 3.541 20 10 GHCDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(Cl)c1 ZINC000792175151 880965124 /nfs/dbraw/zinc/96/51/24/880965124.db2.gz QZOZCAYEWWABQZ-MRXNPFEDSA-N 0 1 388.222 3.851 20 10 GHCDMN COc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000804860431 883403063 /nfs/dbraw/zinc/40/30/63/883403063.db2.gz LXDYEOWBANRPOU-UHFFFAOYSA-N 0 1 399.274 3.758 20 10 GHCDMN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccco2)c(C)n1-c1ccccn1 ZINC000804869210 883409293 /nfs/dbraw/zinc/40/92/93/883409293.db2.gz MLJCTWCJLVJQOA-UHFFFAOYSA-N 0 1 380.492 3.676 20 10 GHCDMN CC(C)c1noc(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000805036089 883578860 /nfs/dbraw/zinc/57/88/60/883578860.db2.gz ZMGGILQWNHGSGP-UHFFFAOYSA-N 0 1 387.267 3.637 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2ncsc2c1 ZINC000805134985 883613558 /nfs/dbraw/zinc/61/35/58/883613558.db2.gz MNSKOHPUMCXVRV-UHFFFAOYSA-N 0 1 389.285 3.787 20 10 GHCDMN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236239 912779411 /nfs/dbraw/zinc/77/94/11/912779411.db2.gz MTSGGOOJQIBZRH-BUXKBTBVSA-N 0 1 399.318 3.634 20 10 GHCDMN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236239 912779425 /nfs/dbraw/zinc/77/94/25/912779425.db2.gz MTSGGOOJQIBZRH-BUXKBTBVSA-N 0 1 399.318 3.634 20 10 GHCDMN COC(=O)[C@H](Cc1cc2ccccc2o1)NCc1cc(Cl)c(F)cc1O ZINC001183779492 912794270 /nfs/dbraw/zinc/79/42/70/912794270.db2.gz NSUJIVFHIUVYGU-INIZCTEOSA-N 0 1 377.799 3.805 20 10 GHCDMN C[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001168473614 884164739 /nfs/dbraw/zinc/16/47/39/884164739.db2.gz DKBBPAYZQJWCFE-OAHLLOKOSA-N 0 1 384.435 3.751 20 10 GHCDMN CN(C)C(=O)Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806209080 884450493 /nfs/dbraw/zinc/45/04/93/884450493.db2.gz OQBXPSQHBFKSFC-UHFFFAOYSA-N 0 1 396.274 3.651 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(-c2ncccc2F)n1 ZINC000806371138 884649200 /nfs/dbraw/zinc/64/92/00/884649200.db2.gz PPWIIQFJXRHKNO-UHFFFAOYSA-N 0 1 396.209 3.741 20 10 GHCDMN CCc1cccc(NC(=O)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806643083 884892774 /nfs/dbraw/zinc/89/27/74/884892774.db2.gz BOBBZXUSNPAXEL-UHFFFAOYSA-N 0 1 396.274 3.699 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000761994731 885155873 /nfs/dbraw/zinc/15/58/73/885155873.db2.gz DVSJVWMMBOGMIO-UHFFFAOYSA-N 0 1 389.477 3.911 20 10 GHCDMN CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807512880 885498590 /nfs/dbraw/zinc/49/85/90/885498590.db2.gz NFEFZPJBDUGLOJ-SNVBAGLBSA-N 0 1 397.258 3.661 20 10 GHCDMN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840282 885770880 /nfs/dbraw/zinc/77/08/80/885770880.db2.gz WVHZPXQWLYYBKU-GFCCVEGCSA-N 0 1 393.270 3.906 20 10 GHCDMN CCOC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1C ZINC000807839895 885771580 /nfs/dbraw/zinc/77/15/80/885771580.db2.gz UBZKKMJOJJDXOS-UHFFFAOYSA-N 0 1 383.231 3.509 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](c1ccccc1)n1cccn1 ZINC000807839953 885771719 /nfs/dbraw/zinc/77/17/19/885771719.db2.gz NRWXEVOTPMJJCB-INIZCTEOSA-N 0 1 376.243 3.801 20 10 GHCDMN Cn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1Cc1ccccc1 ZINC000807835817 885798718 /nfs/dbraw/zinc/79/87/18/885798718.db2.gz AOXWCRHJUSUMIU-UHFFFAOYSA-N 0 1 390.270 3.953 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(N2CCCC2=O)ccc1F ZINC000807838670 885804175 /nfs/dbraw/zinc/80/41/75/885804175.db2.gz NQMIANXXPGVMIS-UHFFFAOYSA-N 0 1 397.233 3.895 20 10 GHCDMN COC(=O)c1cc(C)nc(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000808088803 886008775 /nfs/dbraw/zinc/00/87/75/886008775.db2.gz BXXLOAVAJXSWMU-UHFFFAOYSA-N 0 1 386.191 3.709 20 10 GHCDMN COc1cc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1OC ZINC000808113510 886024773 /nfs/dbraw/zinc/02/47/73/886024773.db2.gz BLNALXOZWDFHLQ-UHFFFAOYSA-N 0 1 396.223 3.656 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000919671972 886096809 /nfs/dbraw/zinc/09/68/09/886096809.db2.gz FAOCDQOGJKAWOX-QFIPXVFZSA-N 0 1 390.531 3.687 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000862214814 886213016 /nfs/dbraw/zinc/21/30/16/886213016.db2.gz ACKQFKABVXLJBV-ZDUSSCGKSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000862214814 886213035 /nfs/dbraw/zinc/21/30/35/886213035.db2.gz ACKQFKABVXLJBV-ZDUSSCGKSA-N 0 1 387.281 3.577 20 10 GHCDMN Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000119350079 886938219 /nfs/dbraw/zinc/93/82/19/886938219.db2.gz LCXDUUAXLIMSJD-UHFFFAOYSA-N 0 1 390.531 3.958 20 10 GHCDMN CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809721042 887746916 /nfs/dbraw/zinc/74/69/16/887746916.db2.gz RQCACKBUQMLJPJ-CQSZACIVSA-N 0 1 385.302 3.644 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000841746291 888741153 /nfs/dbraw/zinc/74/11/53/888741153.db2.gz XSVQILDGWDZUNH-GOEBONIOSA-N 0 1 387.911 3.598 20 10 GHCDMN CC[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)cc1 ZINC001132898592 889781416 /nfs/dbraw/zinc/78/14/16/889781416.db2.gz DTIZJGVMTRELAS-OAQYLSRUSA-N 0 1 379.548 3.947 20 10 GHCDMN CCCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000812033417 890244177 /nfs/dbraw/zinc/24/41/77/890244177.db2.gz VDJRUDPLFBISIT-KRWDZBQOSA-N 0 1 378.536 3.688 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000812449573 890643253 /nfs/dbraw/zinc/64/32/53/890643253.db2.gz QFIGKKPOBBKDQJ-ZDUSSCGKSA-N 0 1 385.222 3.641 20 10 GHCDMN CCOc1ccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000917073872 890964042 /nfs/dbraw/zinc/96/40/42/890964042.db2.gz FOZOSRNWUAFWJF-UHFFFAOYSA-N 0 1 395.547 3.774 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4c3cccc4F)CC2)cc1 ZINC001137058775 891236303 /nfs/dbraw/zinc/23/63/03/891236303.db2.gz CZWAAMLHHFZTFJ-UHFFFAOYSA-N 0 1 383.467 3.654 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cnn(C(C)C)c4)C3)C2)cc1 ZINC001137074287 891826685 /nfs/dbraw/zinc/82/66/85/891826685.db2.gz DSIPMWSGAYDBMQ-QHCPKHFHSA-N 0 1 398.551 3.592 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000917394290 891888627 /nfs/dbraw/zinc/88/86/27/891888627.db2.gz HVKKZCRTQGEPPS-FQEVSTJZSA-N 0 1 389.499 3.938 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386862 891891898 /nfs/dbraw/zinc/89/18/98/891891898.db2.gz QEGSCHIISMQHBU-QGZVFWFLSA-N 0 1 395.253 3.618 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386862 891891908 /nfs/dbraw/zinc/89/19/08/891891908.db2.gz QEGSCHIISMQHBU-QGZVFWFLSA-N 0 1 395.253 3.618 20 10 GHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1 ZINC000874052082 891970734 /nfs/dbraw/zinc/97/07/34/891970734.db2.gz ZONZSKDTRUMPBD-VQTJNVASSA-N 0 1 398.551 3.737 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCN(Cc2ccncc2)CC1)CCCC3 ZINC000917419588 891971482 /nfs/dbraw/zinc/97/14/82/891971482.db2.gz CVJDPBGVTIDYLQ-UHFFFAOYSA-N 0 1 377.488 3.730 20 10 GHCDMN CC(C)(C)c1cc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917435395 891994520 /nfs/dbraw/zinc/99/45/20/891994520.db2.gz KPAADYHWYYBUCB-QGZVFWFLSA-N 0 1 396.597 3.501 20 10 GHCDMN OC[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825784642 892565468 /nfs/dbraw/zinc/56/54/68/892565468.db2.gz KDYGGRJRJHEDLE-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000825784642 892565481 /nfs/dbraw/zinc/56/54/81/892565481.db2.gz KDYGGRJRJHEDLE-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000825784642 892565491 /nfs/dbraw/zinc/56/54/91/892565491.db2.gz KDYGGRJRJHEDLE-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876872408 893369078 /nfs/dbraw/zinc/36/90/78/893369078.db2.gz YMPVJJPGBZCCSH-GFCCVEGCSA-N 0 1 384.448 3.500 20 10 GHCDMN Cc1cc(CN(CCO)Cc2cc(Br)cs2)ccc1N(C)C ZINC000815103786 893476114 /nfs/dbraw/zinc/47/61/14/893476114.db2.gz YWXZVKILMPOGSZ-UHFFFAOYSA-N 0 1 383.355 3.880 20 10 GHCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854617 913802034 /nfs/dbraw/zinc/80/20/34/913802034.db2.gz YEISRVIZCDRENW-LPHOPBHVSA-N 0 1 399.491 3.966 20 10 GHCDMN COc1cccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)c1 ZINC000816488080 894855874 /nfs/dbraw/zinc/85/58/74/894855874.db2.gz HVRYTLDNILBWLD-UHFFFAOYSA-N 0 1 376.456 3.512 20 10 GHCDMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cn2)C[C@H](C)O1 ZINC000816535618 894905503 /nfs/dbraw/zinc/90/55/03/894905503.db2.gz UUJHOFUPVKXPGU-CALCHBBNSA-N 0 1 377.488 3.844 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816548961 894918480 /nfs/dbraw/zinc/91/84/80/894918480.db2.gz YPNVXULARLFQNA-UHFFFAOYSA-N 0 1 398.528 3.663 20 10 GHCDMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816525364 894923615 /nfs/dbraw/zinc/92/36/15/894923615.db2.gz PZLINWKHNJJEBI-OAQYLSRUSA-N 0 1 375.472 3.607 20 10 GHCDMN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Br)ccc3[O-])C2)cc1 ZINC000818220098 896084352 /nfs/dbraw/zinc/08/43/52/896084352.db2.gz JHPROQVZDJQDCG-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN COC(OC)c1ccc(F)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000818182911 896097718 /nfs/dbraw/zinc/09/77/18/896097718.db2.gz MKNHFXAYAGZGQK-INIZCTEOSA-N 0 1 388.483 3.805 20 10 GHCDMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(C)n1-c1cccc(Br)c1 ZINC000819973386 897064623 /nfs/dbraw/zinc/06/46/23/897064623.db2.gz WPRJNXHARFEQRY-UHFFFAOYSA-N 0 1 399.292 3.778 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1cc(Br)ccc1[O-] ZINC000883286018 897445605 /nfs/dbraw/zinc/44/56/05/897445605.db2.gz GXIUBOPGRZDZRT-GFCCVEGCSA-N 0 1 390.281 3.535 20 10 GHCDMN CCOc1cccc(CNCc2ccc(Br)cc2[N+](=O)[O-])c1O ZINC000883287826 897449140 /nfs/dbraw/zinc/44/91/40/897449140.db2.gz HUUZESYACVIZDY-UHFFFAOYSA-N 0 1 381.226 3.751 20 10 GHCDMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185986702 914214248 /nfs/dbraw/zinc/21/42/48/914214248.db2.gz AHDSBXJRIXVMST-UHFFFAOYSA-N 0 1 377.425 3.595 20 10 GHCDMN Fc1cc2c(c(F)c1F)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000823671994 899181276 /nfs/dbraw/zinc/18/12/76/899181276.db2.gz ZZVCCMRNTKPKSZ-MRXNPFEDSA-N 0 1 380.385 3.857 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000824534710 899663677 /nfs/dbraw/zinc/66/36/77/899663677.db2.gz IRUXLNZYPACTON-UHFFFAOYSA-N 0 1 387.281 3.577 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000289863613 914388623 /nfs/dbraw/zinc/38/86/23/914388623.db2.gz RRSDETURFOQVRD-FQEVSTJZSA-N 0 1 392.902 3.918 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000825125562 899995419 /nfs/dbraw/zinc/99/54/19/899995419.db2.gz LOPPBFBCRYFTNG-UHFFFAOYSA-N 0 1 393.350 3.998 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000825214791 900030103 /nfs/dbraw/zinc/03/01/03/900030103.db2.gz LFCMFEKXWZMVMS-LLVKDONJSA-N 0 1 375.266 3.524 20 10 GHCDMN COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825190762 900039231 /nfs/dbraw/zinc/03/92/31/900039231.db2.gz OQPLJMXHLVAZQR-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000825291338 900074731 /nfs/dbraw/zinc/07/47/31/900074731.db2.gz JXTDRSJTNMCGTB-MRXNPFEDSA-N 0 1 384.259 3.602 20 10 GHCDMN Cc1cc(Br)cc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000825294599 900075882 /nfs/dbraw/zinc/07/58/82/900075882.db2.gz UKNGMUKJXHSQAA-UHFFFAOYSA-N 0 1 395.263 3.922 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000825354483 900120947 /nfs/dbraw/zinc/12/09/47/900120947.db2.gz VWBALOCNZSXDOV-ZDUSSCGKSA-N 0 1 382.689 3.572 20 10 GHCDMN COCCCOc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825371596 900130846 /nfs/dbraw/zinc/13/08/46/900130846.db2.gz ZKKPHNYMDNSMTA-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447530 900170571 /nfs/dbraw/zinc/17/05/71/900170571.db2.gz VWFWKXCMKFEHCD-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447530 900170578 /nfs/dbraw/zinc/17/05/78/900170578.db2.gz VWFWKXCMKFEHCD-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN Cc1cnc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1Br ZINC001143660922 900304583 /nfs/dbraw/zinc/30/45/83/900304583.db2.gz JVJLUXVKKFBHGS-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000844219807 900585608 /nfs/dbraw/zinc/58/56/08/900585608.db2.gz WQYMSUYQIOUGHS-GQSKFBFOSA-N 0 1 396.447 3.609 20 10 GHCDMN CCN1CCN(c2ccccc2NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844490894 900926233 /nfs/dbraw/zinc/92/62/33/900926233.db2.gz RTWRRPRSMFHDHN-UHFFFAOYSA-N 0 1 388.899 3.509 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2nc(CSC)n[nH]2)cc1 ZINC000886328501 900937394 /nfs/dbraw/zinc/93/73/94/900937394.db2.gz KWPTZRLABPHTAU-UHFFFAOYSA-N 0 1 381.549 3.984 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC001144306560 901685690 /nfs/dbraw/zinc/68/56/90/901685690.db2.gz HDGDZESEJHOHOF-UHFFFAOYSA-N 0 1 378.245 3.520 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(O)c(OC)cc2Br)c1 ZINC000845972566 902552700 /nfs/dbraw/zinc/55/27/00/902552700.db2.gz SASOSKUQNIINNL-SNVBAGLBSA-N 0 1 382.254 3.728 20 10 GHCDMN COc1cccc([C@H](C)N[C@H](CCO)c2ccccc2Br)c1O ZINC000846166053 902736619 /nfs/dbraw/zinc/73/66/19/902736619.db2.gz QTZDVWJHSYYWEY-BLLLJJGKSA-N 0 1 380.282 3.938 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001203643088 914702035 /nfs/dbraw/zinc/70/20/35/914702035.db2.gz SBFIRDNOKIWBOJ-UHFFFAOYSA-N 0 1 380.257 3.777 20 10 GHCDMN COc1cc(CNCc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779052457 903596152 /nfs/dbraw/zinc/59/61/52/903596152.db2.gz OQVDOZSEJSGSPQ-UHFFFAOYSA-N 0 1 395.406 3.603 20 10 GHCDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCc3cc(O)c(O)cc3C2)c1F ZINC001173191336 906272770 /nfs/dbraw/zinc/27/27/70/906272770.db2.gz CFWWDYPUHUJBLQ-LBPRGKRZSA-N 0 1 390.411 3.533 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1[O-] ZINC000184967457 907689234 /nfs/dbraw/zinc/68/92/34/907689234.db2.gz ZAIPRADJRHLQLG-GFCCVEGCSA-N 0 1 393.281 3.703 20 10 GHCDMN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185177108 907726378 /nfs/dbraw/zinc/72/63/78/907726378.db2.gz BBJIDSQNDOGPPJ-LBPRGKRZSA-N 0 1 377.282 3.755 20 10 GHCDMN COc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F ZINC000192668242 907832279 /nfs/dbraw/zinc/83/22/79/907832279.db2.gz CNSDMERKNBPXLL-UHFFFAOYSA-N 0 1 398.400 3.980 20 10 GHCDMN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192932399 908022363 /nfs/dbraw/zinc/02/23/63/908022363.db2.gz BJIWDVDZJAIFEJ-MRXNPFEDSA-N 0 1 375.310 3.766 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC001179040015 909358062 /nfs/dbraw/zinc/35/80/62/909358062.db2.gz ROSMHMGRFPBAIG-NSHDSACASA-N 0 1 386.773 3.730 20 10 GHCDMN COc1c(Br)cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000267597339 909560018 /nfs/dbraw/zinc/56/00/18/909560018.db2.gz COHCOURRVZVKOM-UHFFFAOYSA-N 0 1 391.309 3.584 20 10 GHCDMN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H]1C ZINC001180935554 910440015 /nfs/dbraw/zinc/44/00/15/910440015.db2.gz OWRHOSUGOLEJEL-ZBFHGGJFSA-N 0 1 395.341 3.823 20 10 GHCDMN COC(=O)c1c(CNCc2ccc(C(C)(C)O)cc2)c2cc(F)ccc2n1C ZINC001180976606 910470655 /nfs/dbraw/zinc/47/06/55/910470655.db2.gz GEQYKNBTXAOZNE-UHFFFAOYSA-N 0 1 384.451 3.621 20 10 GHCDMN CC(C)N(Cc1cc(F)c(N(C)C)cc1F)C[C@H](O)COc1ccccc1 ZINC001181267936 910668388 /nfs/dbraw/zinc/66/83/88/910668388.db2.gz WXHNCOABJDRBGV-KRWDZBQOSA-N 0 1 378.463 3.681 20 10 GHCDMN COCC[C@]1(NCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000773947373 910987708 /nfs/dbraw/zinc/98/77/08/910987708.db2.gz HZJRMAFWWBGUGA-NRFANRHFSA-N 0 1 382.464 3.826 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC2(C)CCOCC2)C1 ZINC000774213865 911498860 /nfs/dbraw/zinc/49/88/60/911498860.db2.gz OYFHVGRBCIFNOK-UHFFFAOYSA-N 0 1 384.520 3.768 20 10 GHCDMN CCOCc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000284182752 911783509 /nfs/dbraw/zinc/78/35/09/911783509.db2.gz XSQWDMVDFKXEHM-INIZCTEOSA-N 0 1 391.533 3.876 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001182712925 911996278 /nfs/dbraw/zinc/99/62/78/911996278.db2.gz DEDWGGMDMVEEOH-PMACEKPBSA-N 0 1 390.886 3.660 20 10 GHCDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N(C)C ZINC000796389037 915393340 /nfs/dbraw/zinc/39/33/40/915393340.db2.gz WWOIAECCFCDCFZ-UHFFFAOYSA-N 0 1 389.304 3.870 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1[O-] ZINC000360346606 916072511 /nfs/dbraw/zinc/07/25/11/916072511.db2.gz SOUSSKSISXKGPN-INIZCTEOSA-N 0 1 387.281 3.976 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775200076 916220718 /nfs/dbraw/zinc/22/07/18/916220718.db2.gz MLTJMVYNLQHJQZ-QGZVFWFLSA-N 0 1 394.309 3.805 20 10 GHCDMN CC(C)[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000775200076 916220736 /nfs/dbraw/zinc/22/07/36/916220736.db2.gz MLTJMVYNLQHJQZ-QGZVFWFLSA-N 0 1 394.309 3.805 20 10 GHCDMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)c(O)cc2C(=O)OC)cc1 ZINC001190447750 917349988 /nfs/dbraw/zinc/34/99/88/917349988.db2.gz OOOFIGYCOOFCKL-UHFFFAOYSA-N 0 1 395.452 3.806 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000775495931 918370753 /nfs/dbraw/zinc/37/07/53/918370753.db2.gz BVOVNWHDRDSVTG-IBGZPJMESA-N 0 1 388.895 3.759 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775514383 918549433 /nfs/dbraw/zinc/54/94/33/918549433.db2.gz UQOKTFQLGVNXGK-OKZBNKHCSA-N 0 1 397.357 3.839 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000802222834 921926101 /nfs/dbraw/zinc/92/61/01/921926101.db2.gz QHYXVYKMLLMNMK-UHFFFAOYSA-N 0 1 387.499 3.975 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@H]2CO)c(=O)c1-c1ccccc1Cl ZINC000902631997 922359165 /nfs/dbraw/zinc/35/91/65/922359165.db2.gz ZKHJCFCKMSSZJP-ZDUSSCGKSA-N 0 1 385.847 3.694 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@H]2CO)c(=O)c1-c1ccccc1Cl ZINC000902631997 922359180 /nfs/dbraw/zinc/35/91/80/922359180.db2.gz ZKHJCFCKMSSZJP-ZDUSSCGKSA-N 0 1 385.847 3.694 20 10 GHCDMN Cc1cc(Br)cc([C@H](C)NCc2nc(CN(C)C)cs2)c1O ZINC000903221022 922865380 /nfs/dbraw/zinc/86/53/80/922865380.db2.gz SOUPNXRKXHKMJM-NSHDSACASA-N 0 1 384.343 3.832 20 10 GHCDMN CC[C@H](NCc1nc(CN(C)C)cs1)c1cc(Br)ccc1O ZINC000903223234 922867809 /nfs/dbraw/zinc/86/78/09/922867809.db2.gz YKAKXSWPPRTVNK-AWEZNQCLSA-N 0 1 384.343 3.914 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827204365 925014088 /nfs/dbraw/zinc/01/40/88/925014088.db2.gz SNYQZSYTWXSBGW-FUHWJXTLSA-N 0 1 376.294 3.753 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827204365 925014097 /nfs/dbraw/zinc/01/40/97/925014097.db2.gz SNYQZSYTWXSBGW-FUHWJXTLSA-N 0 1 376.294 3.753 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827311239 925240547 /nfs/dbraw/zinc/24/05/47/925240547.db2.gz XJNKCUHOVLQUQD-AIADIJKESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311239 925240552 /nfs/dbraw/zinc/24/05/52/925240552.db2.gz XJNKCUHOVLQUQD-AIADIJKESA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311239 925240553 /nfs/dbraw/zinc/24/05/53/925240553.db2.gz XJNKCUHOVLQUQD-AIADIJKESA-N 0 1 385.895 3.543 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276078208 925246708 /nfs/dbraw/zinc/24/67/08/925246708.db2.gz IKOGUKKSGDOMNJ-HIFRSBDPSA-N 0 1 395.341 3.672 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)s1 ZINC000827949913 926374308 /nfs/dbraw/zinc/37/43/08/926374308.db2.gz PEMMFVOINXLYAK-LBPRGKRZSA-N 0 1 380.897 3.977 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)s1 ZINC000827949913 926374317 /nfs/dbraw/zinc/37/43/17/926374317.db2.gz PEMMFVOINXLYAK-LBPRGKRZSA-N 0 1 380.897 3.977 20 10 GHCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892270 930629781 /nfs/dbraw/zinc/62/97/81/930629781.db2.gz IVSDXELWYAQVDS-VHSXEESVSA-N 0 1 393.119 3.510 20 10 GHCDMN CC(=O)c1cc(F)cc(CN[C@@H](CCO)c2ccccc2Br)c1O ZINC000782103763 931090944 /nfs/dbraw/zinc/09/09/44/931090944.db2.gz URTMNNXUTMVTOR-KRWDZBQOSA-N 0 1 396.256 3.710 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnn1CC1CCC1 ZINC000924761486 931528252 /nfs/dbraw/zinc/52/82/52/931528252.db2.gz VQRABCKTFSAUKB-INIZCTEOSA-N 0 1 386.515 3.634 20 10 GHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796722305 932043913 /nfs/dbraw/zinc/04/39/13/932043913.db2.gz ATFXPRDTYBNFBB-AWEZNQCLSA-N 0 1 388.487 3.906 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@H](C)[C@@H]3c3ccccc3)cc2F)CC1 ZINC000797448544 932288730 /nfs/dbraw/zinc/28/87/30/932288730.db2.gz UMPASFYXSSAPNU-NLSFWIRASA-N 0 1 395.522 3.634 20 10 GHCDMN CC(C)[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1cnn(C)c1 ZINC000927072904 932400062 /nfs/dbraw/zinc/40/00/62/932400062.db2.gz YWNRRVSSCSRKRX-FOIQADDNSA-N 0 1 376.932 3.958 20 10 GHCDMN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000798085386 932523866 /nfs/dbraw/zinc/52/38/66/932523866.db2.gz QRTXNAQFWJXRKV-CQSZACIVSA-N 0 1 383.275 3.812 20 10 GHCDMN O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116442698 933561234 /nfs/dbraw/zinc/56/12/34/933561234.db2.gz LOBQSGHROJMXJH-UHFFFAOYSA-N 0 1 381.495 3.774 20 10 GHCDMN CN1CCN(c2ccc(/C=C3\C(=O)Nc4ccc(Br)cc43)cc2)CC1 ZINC001116457673 933571592 /nfs/dbraw/zinc/57/15/92/933571592.db2.gz HEOOQIRXEFNBBL-PDGQHHTCSA-N 0 1 398.304 3.694 20 10 GHCDMN Cc1cc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)ccc1N(C)C ZINC001139670544 935548560 /nfs/dbraw/zinc/54/85/60/935548560.db2.gz BQVPYKWDUHBGBA-OEMFJLHTSA-N 0 1 395.547 3.652 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137833068 935812886 /nfs/dbraw/zinc/81/28/86/935812886.db2.gz RCSPBFKDYYVTQO-YLJYHZDGSA-N 0 1 382.451 3.702 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277214059 1032440040 /nfs/dbraw/zinc/44/00/40/1032440040.db2.gz UDJUIHBEADWQQB-IBGZPJMESA-N 0 1 386.870 3.824 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277214059 1032440048 /nfs/dbraw/zinc/44/00/48/1032440048.db2.gz UDJUIHBEADWQQB-IBGZPJMESA-N 0 1 386.870 3.824 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H]2CCc3cc(Cl)ccc32)c1O ZINC001227623592 1032490215 /nfs/dbraw/zinc/49/02/15/1032490215.db2.gz SMCAZGSOLOHALI-NSHDSACASA-N 0 1 382.821 3.747 20 10 GHCDMN O=c1oc2cc(O)cc(O[C@@H]3C[C@H]4C[C@H]4C3)c2c2oc3cc(O)c(O)cc3c21 ZINC001227657696 1032506514 /nfs/dbraw/zinc/50/65/14/1032506514.db2.gz ASPQUZBWSBRJBU-DOFRTFSJSA-N 0 1 380.352 3.987 20 10 GHCDMN Cc1nc(CN2CC[C@@]3(CCC[N@H+]3Cc3cccc(Cl)c3[O-])C2=O)cs1 ZINC001277232561 1032520564 /nfs/dbraw/zinc/52/05/64/1032520564.db2.gz UHJBBZDAXPOSKB-IBGZPJMESA-N 0 1 391.924 3.578 20 10 GHCDMN CCOC(=O)c1cc2n(n1)CCCN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204235932 1032681539 /nfs/dbraw/zinc/68/15/39/1032681539.db2.gz RFRLDFPKIRNYHN-UHFFFAOYSA-N 0 1 392.503 3.685 20 10 GHCDMN CN(C)c1ccc(CN2CCN(c3nccc(Cl)n3)CC2)c2ccccc21 ZINC001204241771 1032686465 /nfs/dbraw/zinc/68/64/65/1032686465.db2.gz IDQSRNZLGJOEGC-UHFFFAOYSA-N 0 1 381.911 3.671 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1F ZINC001204321777 1032766022 /nfs/dbraw/zinc/76/60/22/1032766022.db2.gz KNAONABRZQAHFZ-MOPGFXCFSA-N 0 1 377.504 3.724 20 10 GHCDMN c1ncn2c1CN(Cc1ccc(N3CCCC3)cc1)C[C@H](COCC1CC1)C2 ZINC001204328187 1032771765 /nfs/dbraw/zinc/77/17/65/1032771765.db2.gz QHRRWXYRPQJDQL-NRFANRHFSA-N 0 1 380.536 3.542 20 10 GHCDMN COc1cc(CN2CC[C@@H](Oc3cccc(Br)c3)C2)cc(O)c1O ZINC001204351636 1032788332 /nfs/dbraw/zinc/78/83/32/1032788332.db2.gz VUKWHUVVFOJEMT-OAHLLOKOSA-N 0 1 394.265 3.522 20 10 GHCDMN CCOc1ccc(C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C(=O)OC)cc1 ZINC000779432191 1020770396 /nfs/dbraw/zinc/77/03/96/1020770396.db2.gz NOBNDZWXPIXSAZ-HNNXBMFYSA-N 0 1 377.868 3.566 20 10 GHCDMN Oc1ccccc1CN(Cc1cccc(Br)n1)C[C@@H]1CCCO1 ZINC000779432869 1020772083 /nfs/dbraw/zinc/77/20/83/1020772083.db2.gz KRSHOMFBJMPANR-INIZCTEOSA-N 0 1 377.282 3.731 20 10 GHCDMN CO[C@@H](COc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC001228519134 1032968670 /nfs/dbraw/zinc/96/86/70/1032968670.db2.gz MJMWCMHCRNYYAO-FQEVSTJZSA-N 0 1 396.395 3.507 20 10 GHCDMN C[C@@H]1C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c2nccn21 ZINC000834737482 1021422674 /nfs/dbraw/zinc/42/26/74/1021422674.db2.gz TWTCCEXBFXALAY-AYOQOUSVSA-N 0 1 399.539 3.811 20 10 GHCDMN Cc1nc[nH]c1CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001204591550 1032987030 /nfs/dbraw/zinc/98/70/30/1032987030.db2.gz FTTIXTFRXNCDRB-QGZVFWFLSA-N 0 1 399.878 3.679 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]12 ZINC001140465285 1021758331 /nfs/dbraw/zinc/75/83/31/1021758331.db2.gz MTGIDUVHWGGVST-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]12 ZINC001140465285 1021758345 /nfs/dbraw/zinc/75/83/45/1021758345.db2.gz MTGIDUVHWGGVST-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140466550 1021761161 /nfs/dbraw/zinc/76/11/61/1021761161.db2.gz GINIQVYHYPMZAS-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140466550 1021761178 /nfs/dbraw/zinc/76/11/78/1021761178.db2.gz GINIQVYHYPMZAS-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(F)cc2F)[C@H](C(F)(F)F)C1 ZINC001140585266 1022009355 /nfs/dbraw/zinc/00/93/55/1022009355.db2.gz CAVCIXDGQQZFJC-AWEZNQCLSA-N 0 1 396.356 3.654 20 10 GHCDMN Cc1ccc(O)c(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001140620403 1022090830 /nfs/dbraw/zinc/09/08/30/1022090830.db2.gz NAWYMJWLQHIPSA-HXUWFJFHSA-N 0 1 381.520 3.833 20 10 GHCDMN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623329 1022097334 /nfs/dbraw/zinc/09/73/34/1022097334.db2.gz 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COc1cc([N+](=O)[O-])c(C(=O)Nc2c3nonc3ccc2Cl)cc1SC ZINC001329518192 1050826824 /nfs/dbraw/zinc/82/68/24/1050826824.db2.gz LBYMIQNYUVSYSU-UHFFFAOYSA-N 0 1 394.796 3.767 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC001313050917 1052944326 /nfs/dbraw/zinc/94/43/26/1052944326.db2.gz SQMGNMIVNRHMGP-NRFANRHFSA-N 0 1 381.520 3.978 20 10 GHCDMN CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC001320396755 1055786397 /nfs/dbraw/zinc/78/63/97/1055786397.db2.gz DFPADJHNFIABOF-CJNGLKHVSA-N 0 1 383.330 3.844 20 10 GHCDMN O=C1OCC[C@]12CCN(Cc1ccc(N3CCCCC3)c(Br)c1)C2 ZINC001474756504 1056213128 /nfs/dbraw/zinc/21/31/28/1056213128.db2.gz HJTHJNOQDCXDLO-IBGZPJMESA-N 0 1 393.325 3.578 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2cc(C3CC3)n[nH]2)C1 ZINC000848011499 1056393764 /nfs/dbraw/zinc/39/37/64/1056393764.db2.gz OUESGXFSRONZFJ-UHFFFAOYSA-N 0 1 392.503 3.752 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(-c4cnn(C)c4)cc3)CC2)cc1F ZINC001322403944 1056681414 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20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)cc2F)CC1 ZINC001456125104 1062496318 /nfs/dbraw/zinc/49/63/18/1062496318.db2.gz DKUQGFSXXPBCAO-RXVVDRJESA-N 0 1 387.543 3.822 20 10 GHCDMN COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C(=O)c1ccccc1 ZINC001457985582 1063486391 /nfs/dbraw/zinc/48/63/91/1063486391.db2.gz VKQUYSHDKRYVMN-UHFFFAOYSA-N 0 1 381.359 3.729 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)c4occc43)cc2)CC1 ZINC001438902391 1064136295 /nfs/dbraw/zinc/13/62/95/1064136295.db2.gz QCVZBMGNNDCKKB-UHFFFAOYSA-N 0 1 383.879 3.768 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(C(F)F)nc1 ZINC000847591671 1065703850 /nfs/dbraw/zinc/70/38/50/1065703850.db2.gz YKPRTYLRNYKSTN-OAHLLOKOSA-N 0 1 395.837 3.773 20 10 GHCDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1Cc2cccc(O)c2C1 ZINC001468648721 1067805457 /nfs/dbraw/zinc/80/54/57/1067805457.db2.gz PLIDBCBYPMQRAG-UHFFFAOYSA-N 0 1 399.922 3.983 20 10 GHCDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001469752206 1068358354 /nfs/dbraw/zinc/35/83/54/1068358354.db2.gz KOKRDIPIKQYXBP-SUDAMTHOSA-N 0 1 380.488 3.621 20 10 GHCDMN COc1ccc(N2CCN(CCNc3nc4cccc(F)c4s3)CC2)cc1 ZINC001472675284 1073610755 /nfs/dbraw/zinc/61/07/55/1073610755.db2.gz MFXCWYJAYWGJGG-UHFFFAOYSA-N 0 1 386.496 3.678 20 10 GHCDMN COc1ccccc1[C@H]1CC[C@@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001473464674 1073978161 /nfs/dbraw/zinc/97/81/61/1073978161.db2.gz WASVEOXOOOMYDA-XMSQKQJNSA-N 0 1 395.547 3.851 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001474390779 1074381130 /nfs/dbraw/zinc/38/11/30/1074381130.db2.gz FOIDBVCVGHWKFG-HACGYAERSA-N 0 1 382.451 3.796 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001474390776 1074381329 /nfs/dbraw/zinc/38/13/29/1074381329.db2.gz FOIDBVCVGHWKFG-DXCKQFNASA-N 0 1 382.451 3.796 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1Oc1ccccc1 ZINC001474456669 1074415004 /nfs/dbraw/zinc/41/50/04/1074415004.db2.gz 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CCc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000857473229 882287649 /nfs/dbraw/zinc/28/76/49/882287649.db2.gz UTLDSLVZXUIHOV-FQEVSTJZSA-N 0 1 386.923 3.931 20 10 GHCDMN CCc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000857473229 882287655 /nfs/dbraw/zinc/28/76/55/882287655.db2.gz UTLDSLVZXUIHOV-FQEVSTJZSA-N 0 1 386.923 3.931 20 10 GHCDMN CCCC(O)(CCC)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857473068 882287714 /nfs/dbraw/zinc/28/77/14/882287714.db2.gz SOGYCVNOYUFHNG-SFHVURJKSA-N 0 1 396.959 3.848 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2ccco2)C1 ZINC000766401410 870701414 /nfs/dbraw/zinc/70/14/14/870701414.db2.gz ZUYPQLTWQPNWCA-QGZVFWFLSA-N 0 1 379.504 3.748 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])[C@]12CCCO2 ZINC000775555146 870752849 /nfs/dbraw/zinc/75/28/49/870752849.db2.gz KAHQAEGQIZJQFS-DZJNRPSUSA-N 0 1 384.314 3.922 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193612416 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ZINC000768885564 873646156 /nfs/dbraw/zinc/64/61/56/873646156.db2.gz GIWDBBILYBSAIC-UHFFFAOYSA-N 0 1 384.823 3.698 20 10 GHCDMN O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1c([O-])cccc1Cl ZINC000768912683 873678859 /nfs/dbraw/zinc/67/88/59/873678859.db2.gz BMGTZBDUVSHHKP-UHFFFAOYSA-N 0 1 399.922 3.508 20 10 GHCDMN O=C(CCc1cccs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768911965 873680287 /nfs/dbraw/zinc/68/02/87/873680287.db2.gz KXJZIAQYPNCFOX-INIZCTEOSA-N 0 1 378.925 3.821 20 10 GHCDMN Cc1cc(N(C)C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000769024162 873748322 /nfs/dbraw/zinc/74/83/22/873748322.db2.gz UOCOWDKVASCJHE-FCHUYYIVSA-N 0 1 387.955 3.876 20 10 GHCDMN C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000527940466 873781874 /nfs/dbraw/zinc/78/18/74/873781874.db2.gz UKCCHNWBDCTWQM-ZANVPECISA-N 0 1 378.192 3.805 20 10 GHCDMN O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000769163548 873859210 /nfs/dbraw/zinc/85/92/10/873859210.db2.gz AOYPMFCQYHIMSG-UHFFFAOYSA-N 0 1 395.341 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Cc1cc(Br)cc([C@H](C)NCc2ncnn2-c2ccccc2)c1O ZINC000786937610 877065998 /nfs/dbraw/zinc/06/59/98/877065998.db2.gz BGRIXTCTXHXGKF-ZDUSSCGKSA-N 0 1 387.281 3.895 20 10 GHCDMN CN(C)c1ccc(CNCc2cc3ccccc3nc2N2CCOCC2)cc1F ZINC000746693501 877494036 /nfs/dbraw/zinc/49/40/36/877494036.db2.gz SNWZLTOAGFPYGX-UHFFFAOYSA-N 0 1 394.494 3.566 20 10 GHCDMN Cc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000787681221 877551903 /nfs/dbraw/zinc/55/19/03/877551903.db2.gz ATYRNSVTHWFODS-QGZVFWFLSA-N 0 1 399.510 3.559 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1OC(F)F ZINC000851717310 877878288 /nfs/dbraw/zinc/87/82/88/877878288.db2.gz WKEDWQDJVJXPCO-UHFFFAOYSA-N 0 1 380.410 3.896 20 10 GHCDMN COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1NC(=O)OC(C)(C)C ZINC000788278826 877989466 /nfs/dbraw/zinc/98/94/66/877989466.db2.gz CIAPVCWUZHEOBO-UHFFFAOYSA-N 0 1 392.383 3.845 20 10 GHCDMN COc1ccc(N2CCCN(Cn3ccc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000110969266 878668065 /nfs/dbraw/zinc/66/80/65/878668065.db2.gz 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CS(=O)(=O)c1cc(CNCc2c(O)cccc2Cl)cc(C(F)(F)F)c1 ZINC000790600959 879854717 /nfs/dbraw/zinc/85/47/17/879854717.db2.gz FRLLSFABEJGHNI-UHFFFAOYSA-N 0 1 393.814 3.758 20 10 GHCDMN CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000858540543 883184465 /nfs/dbraw/zinc/18/44/65/883184465.db2.gz IEAKDAOJCCTZTF-HNNXBMFYSA-N 0 1 383.330 3.844 20 10 GHCDMN COc1ccc(OC)c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000804890728 883455318 /nfs/dbraw/zinc/45/53/18/883455318.db2.gz WWSSIALMTRGNDU-UHFFFAOYSA-N 0 1 385.247 3.716 20 10 GHCDMN COc1ccc(OC)c(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805115924 883588577 /nfs/dbraw/zinc/58/85/77/883588577.db2.gz GRPKNKUETLDCJJ-UHFFFAOYSA-N 0 1 399.274 3.758 20 10 GHCDMN O=C(NCCOc1ncccc1Cl)NCc1cc(Cl)cc(Cl)c1O ZINC000805202830 883643656 /nfs/dbraw/zinc/64/36/56/883643656.db2.gz PONQSBNSYDOKDR-UHFFFAOYSA-N 0 1 390.654 3.626 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(CC(F)(F)C(F)F)CC3)c2c1 ZINC000153191520 883714055 /nfs/dbraw/zinc/71/40/55/883714055.db2.gz 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884666914 /nfs/dbraw/zinc/66/69/14/884666914.db2.gz JOKWWPJWEROXQX-UHFFFAOYSA-N 0 1 394.258 3.930 20 10 GHCDMN Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806493867 884738278 /nfs/dbraw/zinc/73/82/78/884738278.db2.gz GQZQKBARFOOQFT-ZDUSSCGKSA-N 0 1 385.251 3.606 20 10 GHCDMN CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000795850323 912909581 /nfs/dbraw/zinc/90/95/81/912909581.db2.gz YBCMZQVHFRCAKI-LRDDRELGSA-N 0 1 377.282 3.683 20 10 GHCDMN CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000784544746 885362491 /nfs/dbraw/zinc/36/24/91/885362491.db2.gz KOGNJEZVRUUTGJ-UHFFFAOYSA-N 0 1 399.510 3.795 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc2cnccc21 ZINC000807513200 885496195 /nfs/dbraw/zinc/49/61/95/885496195.db2.gz JYDKWIAMFPXLDE-UHFFFAOYSA-N 0 1 390.226 3.502 20 10 GHCDMN Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511416 885496364 /nfs/dbraw/zinc/49/63/64/885496364.db2.gz MLLQHOXJBBDMOE-UHFFFAOYSA-N 0 1 392.242 3.744 20 10 GHCDMN CC(C)Oc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807513695 885498544 /nfs/dbraw/zinc/49/85/44/885498544.db2.gz SPURPFJABXTOSJ-UHFFFAOYSA-N 0 1 397.258 3.741 20 10 GHCDMN CSc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000807512987 885498574 /nfs/dbraw/zinc/49/85/74/885498574.db2.gz FEYVYDZQKWFWMK-UHFFFAOYSA-N 0 1 399.299 3.984 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(-c2ncccn2)s1 ZINC000807838926 885769632 /nfs/dbraw/zinc/76/96/32/885769632.db2.gz CTHRQOZNIMLARP-UHFFFAOYSA-N 0 1 381.244 3.543 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(N2CCOC2=O)c1 ZINC000807835994 885800678 /nfs/dbraw/zinc/80/06/78/885800678.db2.gz DNFBNEWHYJLHPQ-UHFFFAOYSA-N 0 1 381.215 3.586 20 10 GHCDMN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837997 885804324 /nfs/dbraw/zinc/80/43/24/885804324.db2.gz HFVFSWWQMZRCTA-NSHDSACASA-N 0 1 397.258 3.630 20 10 GHCDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000807969758 885875974 /nfs/dbraw/zinc/87/59/74/885875974.db2.gz LFDKLTNOAKQUMA-OAHLLOKOSA-N 0 1 393.875 3.555 20 10 GHCDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000807969758 885875986 /nfs/dbraw/zinc/87/59/86/885875986.db2.gz LFDKLTNOAKQUMA-OAHLLOKOSA-N 0 1 393.875 3.555 20 10 GHCDMN CCN(CC)C(=O)CCC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862313972 886289566 /nfs/dbraw/zinc/28/95/66/886289566.db2.gz SABYDXKFLIBYBY-UHFFFAOYSA-N 0 1 381.511 3.891 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1F ZINC000862395571 886348238 /nfs/dbraw/zinc/34/82/38/886348238.db2.gz VZQOUKMSIVEZRU-NRFANRHFSA-N 0 1 390.474 3.651 20 10 GHCDMN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000808729534 886744122 /nfs/dbraw/zinc/74/41/22/886744122.db2.gz LOAPLCBTTVKBDW-MPGHIAIKSA-N 0 1 378.266 3.690 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3nonc32)C1 ZINC000808800949 886805246 /nfs/dbraw/zinc/80/52/46/886805246.db2.gz BHVIYLGTYCRMGW-UHFFFAOYSA-N 0 1 389.459 3.583 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)NCc1ccccn1)Cc1ccccc1O ZINC000119283336 886888700 /nfs/dbraw/zinc/88/87/00/886888700.db2.gz YMWQUEVKLVRHSL-GOSISDBHSA-N 0 1 375.472 3.667 20 10 GHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc(Br)c1[O-] ZINC000809701135 887683588 /nfs/dbraw/zinc/68/35/88/887683588.db2.gz BUFUZBLJXAVQMT-UHFFFAOYSA-N 0 1 388.265 3.879 20 10 GHCDMN C[C@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)CCO2 ZINC000794670287 887716068 /nfs/dbraw/zinc/71/60/68/887716068.db2.gz VZIRMYXYEDBFAT-YJYMSZOUSA-N 0 1 392.293 3.688 20 10 GHCDMN COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1O ZINC000809712272 887731782 /nfs/dbraw/zinc/73/17/82/887731782.db2.gz IGBDGITXPHMIMM-GFCCVEGCSA-N 0 1 380.282 3.980 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1 ZINC000794703362 887876879 /nfs/dbraw/zinc/87/68/79/887876879.db2.gz BWBOHSHGQBXEIE-NRFANRHFSA-N 0 1 388.552 3.685 20 10 GHCDMN CN1CCCc2cc(CNCc3cn4ccc(Br)cc4n3)ccc21 ZINC000810138228 888206087 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/nfs/dbraw/zinc/42/83/84/893428384.db2.gz OENCFICRYHUVQH-UHFFFAOYSA-N 0 1 382.420 3.503 20 10 GHCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000877836426 893840131 /nfs/dbraw/zinc/84/01/31/893840131.db2.gz WZTGVPXYBPCSNO-SNVBAGLBSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(C[NH+]2CCN(c3ncnc4sccc43)CC2)ccc2ccccc21 ZINC000816484051 894853804 /nfs/dbraw/zinc/85/38/04/894853804.db2.gz OCBZODXBASXKBZ-UHFFFAOYSA-N 0 1 376.485 3.872 20 10 GHCDMN Cc1ccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1F ZINC000816484468 894854172 /nfs/dbraw/zinc/85/41/72/894854172.db2.gz CZQVRSLXXITMCQ-UHFFFAOYSA-N 0 1 378.447 3.951 20 10 GHCDMN Cc1ccc(CC2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1C ZINC001170827591 894854389 /nfs/dbraw/zinc/85/43/89/894854389.db2.gz SPUCZFLBYBEHAG-UHFFFAOYSA-N 0 1 393.575 3.940 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000816514801 894892299 /nfs/dbraw/zinc/89/22/99/894892299.db2.gz HSINKMDSHSIYAF-UHFFFAOYSA-N 0 1 386.858 3.577 20 10 GHCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882028 895948436 /nfs/dbraw/zinc/94/84/36/895948436.db2.gz VFYHTYWIVSKWRO-HOCLYGCPSA-N 0 1 395.341 3.982 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@@H](c3ccc(F)cc3)c3cnccn3)C2)cc1 ZINC000818342765 896122863 /nfs/dbraw/zinc/12/28/63/896122863.db2.gz VKSHSEUQHZMKHJ-HXOBKFHXSA-N 0 1 392.478 3.830 20 10 GHCDMN C[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000822182162 898246497 /nfs/dbraw/zinc/24/64/97/898246497.db2.gz GQHFUVGRMBVBFO-CABCVRRESA-N 0 1 396.491 3.898 20 10 GHCDMN COc1cc(O)c(CNc2cc(C)cc(CNC(=O)C(F)(F)F)c2)cc1OC ZINC000825011152 899935552 /nfs/dbraw/zinc/93/55/52/899935552.db2.gz DFDAWYVRARKOOU-UHFFFAOYSA-N 0 1 398.381 3.508 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1Cl ZINC000825113853 899984893 /nfs/dbraw/zinc/98/48/93/899984893.db2.gz LOKROFOJPCJPAW-GASCZTMLSA-N 0 1 375.900 3.652 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124185 899993523 /nfs/dbraw/zinc/99/35/23/899993523.db2.gz JSNZQHKOPFLFGE-QFBILLFUSA-N 0 1 381.394 3.716 20 10 GHCDMN COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825203056 900024485 /nfs/dbraw/zinc/02/44/85/900024485.db2.gz DSJVSIATJBXDHK-HNNXBMFYSA-N 0 1 377.282 3.532 20 10 GHCDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)Cc1ccccc1O ZINC000136906401 900768712 /nfs/dbraw/zinc/76/87/12/900768712.db2.gz YTHKXKLNMBWSER-UHFFFAOYSA-N 0 1 392.371 3.612 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2F)CC1 ZINC000303265409 914537132 /nfs/dbraw/zinc/53/71/32/914537132.db2.gz DUJSLQQAPKFEHF-UHFFFAOYSA-N 0 1 381.451 3.644 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144307606 901696968 /nfs/dbraw/zinc/69/69/68/901696968.db2.gz BPQFPLIAXZVDFI-GFCCVEGCSA-N 0 1 388.277 3.990 20 10 GHCDMN COC(=O)c1cccc2c1CCN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144308493 901701551 /nfs/dbraw/zinc/70/15/51/901701551.db2.gz ZKLITDDWLSURME-UHFFFAOYSA-N 0 1 394.240 3.639 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000845997856 902610889 /nfs/dbraw/zinc/61/08/89/902610889.db2.gz HWEMASJQGLQJCQ-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc(C(=O)[O-])cs1 ZINC000846780512 903198111 /nfs/dbraw/zinc/19/81/11/903198111.db2.gz RRGNRLDGLYYUMI-LBPRGKRZSA-N 0 1 390.465 3.591 20 10 GHCDMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC001147072830 903683430 /nfs/dbraw/zinc/68/34/30/903683430.db2.gz QJPIIEFUFLJORY-UHFFFAOYSA-N 0 1 387.281 3.852 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2ccncc2)C1 ZINC000578597261 903995166 /nfs/dbraw/zinc/99/51/66/903995166.db2.gz RBGFIMFMOSHOOY-SFHVURJKSA-N 0 1 390.531 3.550 20 10 GHCDMN C[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000773015732 904375528 /nfs/dbraw/zinc/37/55/28/904375528.db2.gz WNJMUMHFOHXJAR-DJJJIMSYSA-N 0 1 396.865 3.839 20 10 GHCDMN OCCn1nc(-c2cccnc2)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000365776963 921152732 /nfs/dbraw/zinc/15/27/32/921152732.db2.gz LRPZNCKBQMOUPI-UHFFFAOYSA-N 0 1 379.247 3.562 20 10 GHCDMN CCOC(=O)/C=C/c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000779432278 907045673 /nfs/dbraw/zinc/04/56/73/907045673.db2.gz BBEAXLGJOREHJI-MDWZMJQESA-N 0 1 379.504 3.627 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000182571578 907231299 /nfs/dbraw/zinc/23/12/99/907231299.db2.gz LDIKFCRITLJTBH-HXUWFJFHSA-N 0 1 394.437 3.542 20 10 GHCDMN Cc1[nH]nc2ccc(Nc3c(CC(N)=O)cccc3C(=O)c3ccccc3)cc12 ZINC001175700699 907673560 /nfs/dbraw/zinc/67/35/60/907673560.db2.gz SEWDBPFPWZOOJP-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185042396 907702790 /nfs/dbraw/zinc/70/27/90/907702790.db2.gz LESVAHCVGGTPQB-CYBMUJFWSA-N 0 1 395.334 3.697 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000185109120 907714388 /nfs/dbraw/zinc/71/43/88/907714388.db2.gz FZBKMNMDMWBZAY-QWHCGFSZSA-N 0 1 382.913 3.708 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CSc1n[nH]c(=S)s1 ZINC001177346914 908546843 /nfs/dbraw/zinc/54/68/43/908546843.db2.gz HDVMTXHFWLBZBC-AWEZNQCLSA-N 0 1 395.575 3.681 20 10 GHCDMN Fc1cc(CN[C@@H](c2ccccc2)c2cccnc2)ccc1N1CCOCC1 ZINC001177656840 908703134 /nfs/dbraw/zinc/70/31/34/908703134.db2.gz MNOIKPXYPFSRBS-QHCPKHFHSA-N 0 1 377.463 3.937 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000299599427 921499576 /nfs/dbraw/zinc/49/95/76/921499576.db2.gz QDMRYLAWECDPFR-LLVKDONJSA-N 0 1 375.266 3.890 20 10 GHCDMN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001179684311 909643088 /nfs/dbraw/zinc/64/30/88/909643088.db2.gz QCGYMGTZSOAHKK-DRGXBFSJSA-N 0 1 396.462 3.517 20 10 GHCDMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000268136661 909777079 /nfs/dbraw/zinc/77/70/79/909777079.db2.gz PUTVCZVMNPQKDG-UHFFFAOYSA-N 0 1 381.425 3.551 20 10 GHCDMN CN(C)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1F ZINC000245670410 909818029 /nfs/dbraw/zinc/81/80/29/909818029.db2.gz CUKSVGGLQBFPGT-SFTDATJTSA-N 0 1 391.918 3.707 20 10 GHCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Br)cc(Br)c1O ZINC001180523201 910199555 /nfs/dbraw/zinc/19/95/55/910199555.db2.gz QLOFNYNMLNVBEJ-CABZTGNLSA-N 0 1 393.119 3.917 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000774115299 911373210 /nfs/dbraw/zinc/37/32/10/911373210.db2.gz CNOBRBYJJYHOBP-PDIWNELESA-N 0 1 396.531 3.765 20 10 GHCDMN COC[C@H](OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(F)(F)F ZINC000774159589 911459268 /nfs/dbraw/zinc/45/92/68/911459268.db2.gz QNWPRSXSKODKTR-SFHVURJKSA-N 0 1 398.425 3.528 20 10 GHCDMN CCOc1ccccc1[C@@H](CC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775085217 915029670 /nfs/dbraw/zinc/02/96/70/915029670.db2.gz GOJBWVUNBKBHCC-OAQYLSRUSA-N 0 1 383.536 3.851 20 10 GHCDMN COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cccc(O)c2O)cc1 ZINC001187826456 915574672 /nfs/dbraw/zinc/57/46/72/915574672.db2.gz IAGXSSQPNJWJQG-UHFFFAOYSA-N 0 1 387.413 3.700 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(Br)ccc1[O-] ZINC000360346620 916072405 /nfs/dbraw/zinc/07/24/05/916072405.db2.gz SOUSSKSISXKGPN-MRXNPFEDSA-N 0 1 387.281 3.976 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1[O-] ZINC000293571122 916272492 /nfs/dbraw/zinc/27/24/92/916272492.db2.gz BGRVLPBRCOVWBU-AWEZNQCLSA-N 0 1 391.309 3.842 20 10 GHCDMN Cn1cc([C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC23CCOCC3)cn1 ZINC000294692709 916936223 /nfs/dbraw/zinc/93/62/23/916936223.db2.gz ASURBQRPZMMTSK-MRXNPFEDSA-N 0 1 396.318 3.829 20 10 GHCDMN CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cc(Br)ccc1[O-] ZINC000775483182 918224268 /nfs/dbraw/zinc/22/42/68/918224268.db2.gz OMZYASMTGSVPJZ-MRXNPFEDSA-N 0 1 383.330 3.988 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775488858 918263156 /nfs/dbraw/zinc/26/31/56/918263156.db2.gz VQPNCDWFPGILGD-PBHICJAKSA-N 0 1 380.282 3.635 20 10 GHCDMN CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775492185 918302011 /nfs/dbraw/zinc/30/20/11/918302011.db2.gz NFDRCDGIRYWBGK-QGZVFWFLSA-N 0 1 391.309 3.854 20 10 GHCDMN Oc1ccccc1C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001192015008 918359167 /nfs/dbraw/zinc/35/91/67/918359167.db2.gz YNROWLWZGIMSAX-INIZCTEOSA-N 0 1 377.387 3.895 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775511534 918529245 /nfs/dbraw/zinc/52/92/45/918529245.db2.gz HAHIACKLZJCHFM-YWZLYKJASA-N 0 1 393.911 3.955 20 10 GHCDMN COCCn1cc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cn1 ZINC000800277505 919830606 /nfs/dbraw/zinc/83/06/06/919830606.db2.gz XGZANMUGBXKGCZ-MRXNPFEDSA-N 0 1 376.932 3.709 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cnn(C2CCCC2)c1 ZINC000800476071 920156068 /nfs/dbraw/zinc/15/60/68/920156068.db2.gz GYGGDIFEWGRKEN-MRXNPFEDSA-N 0 1 386.515 3.949 20 10 GHCDMN C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000371864246 924922130 /nfs/dbraw/zinc/92/21/30/924922130.db2.gz KTRWJJPOZPTMMX-VXGBXAGGSA-N 0 1 379.302 3.884 20 10 GHCDMN COc1cccc(N2CCN(Cc3ccc(N4CCC(OC)CC4)cc3)CC2)c1 ZINC000827310288 925221814 /nfs/dbraw/zinc/22/18/14/925221814.db2.gz MZFVUZTUMLMSRK-UHFFFAOYSA-N 0 1 395.547 3.633 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276078431 925248023 /nfs/dbraw/zinc/24/80/23/925248023.db2.gz MIGTVOYQJAIPNN-IBGZPJMESA-N 0 1 393.325 3.688 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1[O-] ZINC000827495444 925664263 /nfs/dbraw/zinc/66/42/63/925664263.db2.gz WRQJWSMNRCIMMN-QGZVFWFLSA-N 0 1 378.812 3.901 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1[O-] ZINC000827495444 925664270 /nfs/dbraw/zinc/66/42/70/925664270.db2.gz WRQJWSMNRCIMMN-QGZVFWFLSA-N 0 1 378.812 3.901 20 10 GHCDMN COc1ccc(CNCC(=O)Nc2cc(Br)ccc2C)cc1C ZINC000749264094 927022283 /nfs/dbraw/zinc/02/22/83/927022283.db2.gz SXKFTJDYRYHBEY-UHFFFAOYSA-N 0 1 377.282 3.803 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C3(Cc4ccccc4)CC3)cc2F)CC1 ZINC000752311340 928748672 /nfs/dbraw/zinc/74/86/72/928748672.db2.gz KHOOGQSZZKQJOO-UHFFFAOYSA-N 0 1 395.522 3.607 20 10 GHCDMN Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000757913206 929852352 /nfs/dbraw/zinc/85/23/52/929852352.db2.gz SMWCYWPQJYCGFJ-UHFFFAOYSA-N 0 1 391.258 3.904 20 10 GHCDMN CCn1nc(C)c([C@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000924906522 931580730 /nfs/dbraw/zinc/58/07/30/931580730.db2.gz LLKZTDZFOSTAQZ-ZDUSSCGKSA-N 0 1 379.455 3.527 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H](C)[C@@H]3c3ccccc3)cc2F)CC1 ZINC000797448542 932289050 /nfs/dbraw/zinc/28/90/50/932289050.db2.gz UMPASFYXSSAPNU-JJEOQYAHSA-N 0 1 395.522 3.634 20 10 GHCDMN CN(C(=O)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)c1ccccc1 ZINC000797604986 932341131 /nfs/dbraw/zinc/34/11/31/932341131.db2.gz HBOCQLZWBZYHLL-OAHLLOKOSA-N 0 1 389.293 3.640 20 10 GHCDMN CC(C)[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1cnn(C)c1 ZINC000927072906 932400161 /nfs/dbraw/zinc/40/01/61/932400161.db2.gz YWNRRVSSCSRKRX-QRWLVFNGSA-N 0 1 376.932 3.958 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118749127 934231762 /nfs/dbraw/zinc/23/17/62/934231762.db2.gz NQUBYDFDOIZYDQ-VDNDLQMASA-N 0 1 398.881 3.808 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828415324 935628453 /nfs/dbraw/zinc/62/84/53/935628453.db2.gz KZRBXJQIGDFIQM-MGPUTAFESA-N 0 1 395.482 3.591 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828461249 935636477 /nfs/dbraw/zinc/63/64/77/935636477.db2.gz PKURXAZPLZTJFD-IAGOWNOFSA-N 0 1 387.911 3.684 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)cc2)CC1 ZINC000828988131 935751509 /nfs/dbraw/zinc/75/15/09/935751509.db2.gz NKUCJAOJMINVBS-QFIPXVFZSA-N 0 1 390.531 3.590 20 10 GHCDMN CN(C)c1ncc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c2ccccc21 ZINC001598354023 991463616 /nfs/dbraw/zinc/46/36/16/991463616.db2.gz QVAPIOUMMDAMGV-UHFFFAOYSA-N 0 1 399.878 3.747 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H]2CCCc3c(Cl)ccnc32)c1O ZINC001227622358 1032489348 /nfs/dbraw/zinc/48/93/48/1032489348.db2.gz LTGCGPTZSWSORS-JTQLQIEISA-N 0 1 397.836 3.532 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(O)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001204273815 1032717018 /nfs/dbraw/zinc/71/70/18/1032717018.db2.gz WCFLEHFCCNOSCO-IBGZPJMESA-N 0 1 385.508 3.620 20 10 GHCDMN COc1cc(Br)cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001204338552 1032779618 /nfs/dbraw/zinc/77/96/18/1032779618.db2.gz KJFSOMVOCNFVEY-QGZVFWFLSA-N 0 1 391.309 3.652 20 10 GHCDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(Cl)c1 ZINC000779182816 1020466264 /nfs/dbraw/zinc/46/62/64/1020466264.db2.gz WCTHFVXQVBVULW-OAHLLOKOSA-N 0 1 388.222 3.851 20 10 GHCDMN CCOc1ccc(C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C(=O)OC)cc1 ZINC000779432192 1020770467 /nfs/dbraw/zinc/77/04/67/1020770467.db2.gz NOBNDZWXPIXSAZ-OAHLLOKOSA-N 0 1 377.868 3.566 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc(CSC)cn3)CC2)cc1 ZINC001156263404 1032948724 /nfs/dbraw/zinc/94/87/24/1032948724.db2.gz XNMHDGIBEGMHDV-UHFFFAOYSA-N 0 1 386.565 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GHCDMN CCc1nc2c(s1)[C@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840761520 1027801712 /nfs/dbraw/zinc/80/17/12/1027801712.db2.gz YVCOUAAXJCFAFR-MRXNPFEDSA-N 0 1 393.503 3.988 20 10 GHCDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(N)cc1 ZINC000841298804 1028390813 /nfs/dbraw/zinc/39/08/13/1028390813.db2.gz HFFHHYUGIKZOIY-IBGZPJMESA-N 0 1 393.491 3.513 20 10 GHCDMN CN(C)c1ccc([C@H](CNCc2cnsc2)NC(=O)OC(C)(C)C)cc1 ZINC001461401854 1069534968 /nfs/dbraw/zinc/53/49/68/1069534968.db2.gz RIHRHWXMMGNNMG-KRWDZBQOSA-N 0 1 376.526 3.565 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3conc3Cc3ccccc3)SC2=S)CC1 ZINC000841497404 1028696122 /nfs/dbraw/zinc/69/61/22/1028696122.db2.gz WSTBVQZOJPSJRU-PDGQHHTCSA-N 0 1 399.541 3.561 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001143110614 1029848506 /nfs/dbraw/zinc/84/85/06/1029848506.db2.gz LKHLBHKVRFQSMY-UHFFFAOYSA-N 0 1 394.441 3.821 20 10 GHCDMN COc1cc2c(cc1-c1noc(-c3cc(O)c(O)c(Cl)c3)n1)CCCC2=O ZINC001216977385 1030047748 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10 GHCDMN CCC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1Cc1ccccc1 ZINC001152415414 1031228714 /nfs/dbraw/zinc/22/87/14/1031228714.db2.gz AHJCUOLZACPEOL-FQEVSTJZSA-N 0 1 393.491 3.976 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCC[C@H]1CN1CCCc2cc(O)c(O)cc2C1 ZINC001207320097 1034270233 /nfs/dbraw/zinc/27/02/33/1034270233.db2.gz UVLGZZUEIYHRMH-KRWDZBQOSA-N 0 1 376.497 3.636 20 10 GHCDMN COc1ccc([C@H]2CN(Cc3cc(Cl)c(F)cc3O)CCO2)cc1OC ZINC001207812908 1034590424 /nfs/dbraw/zinc/59/04/24/1034590424.db2.gz GZYKKCYBLRQXPF-LJQANCHMSA-N 0 1 381.831 3.775 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231454108 1034597878 /nfs/dbraw/zinc/59/78/78/1034597878.db2.gz NOECDTLVFUUNCW-XYPHTWIQSA-N 0 1 375.465 3.565 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)[C@@H]2CCCC=C21 ZINC001231454473 1034598554 /nfs/dbraw/zinc/59/85/54/1034598554.db2.gz XZSNFAJOAXSCAO-MRXNPFEDSA-N 0 1 388.464 3.580 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)[C@@H]2CCCC=C21 ZINC001231454473 1034598563 /nfs/dbraw/zinc/59/85/63/1034598563.db2.gz XZSNFAJOAXSCAO-MRXNPFEDSA-N 0 1 388.464 3.580 20 10 GHCDMN COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454554 1034599156 /nfs/dbraw/zinc/59/91/56/1034599156.db2.gz RNLGSDYUMNFDTI-HXUWFJFHSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454554 1034599164 /nfs/dbraw/zinc/59/91/64/1034599164.db2.gz RNLGSDYUMNFDTI-HXUWFJFHSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231454554 1034599167 /nfs/dbraw/zinc/59/91/67/1034599167.db2.gz RNLGSDYUMNFDTI-HXUWFJFHSA-N 0 1 398.503 3.586 20 10 GHCDMN COc1cc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)c(O)cc1O ZINC001231638959 1034797323 /nfs/dbraw/zinc/79/73/23/1034797323.db2.gz JATDAXIPLAVSLV-BMFZPTHFSA-N 0 1 377.481 3.581 20 10 GHCDMN c1cc2cc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)ncc2[nH]1 ZINC001231670840 1034825079 /nfs/dbraw/zinc/82/50/79/1034825079.db2.gz FSWBYAYSRSZXSI-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN CCOC(=O)c1cc2ccc(NCc3cc(Br)ccc3O)nc2[nH]1 ZINC001160019677 1034832689 /nfs/dbraw/zinc/83/26/89/1034832689.db2.gz RMAPDDYYXQTRCT-UHFFFAOYSA-N 0 1 390.237 3.820 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001231849094 1034940843 /nfs/dbraw/zinc/94/08/43/1034940843.db2.gz NSCZUSPHHKNAMD-GOSISDBHSA-N 0 1 377.529 3.640 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001231849094 1034940850 /nfs/dbraw/zinc/94/08/50/1034940850.db2.gz NSCZUSPHHKNAMD-GOSISDBHSA-N 0 1 377.529 3.640 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001231854120 1034944564 /nfs/dbraw/zinc/94/45/64/1034944564.db2.gz ZPCCIHABSMKWDC-DOTOQJQBSA-N 0 1 377.529 3.639 20 10 GHCDMN Cc1cc(O)c(CN2CCN(c3ccc4oc(C(N)=O)cc4c3)CC2)cc1Cl ZINC001231870098 1034957205 /nfs/dbraw/zinc/95/72/05/1034957205.db2.gz JHLGWYDXGFMZGF-UHFFFAOYSA-N 0 1 399.878 3.521 20 10 GHCDMN [O-]c1c(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)ccc2ccccc21 ZINC001231880016 1034963880 /nfs/dbraw/zinc/96/38/80/1034963880.db2.gz ARVRKHSSFSWKDA-MBSDFSHPSA-N 0 1 394.446 3.892 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)ccc2ccccc21 ZINC001231880016 1034963883 /nfs/dbraw/zinc/96/38/83/1034963883.db2.gz ARVRKHSSFSWKDA-MBSDFSHPSA-N 0 1 394.446 3.892 20 10 GHCDMN O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3[O-])C[C@H]2C1 ZINC001231881212 1034964620 /nfs/dbraw/zinc/96/46/20/1034964620.db2.gz WKWIUYLTTFSUHX-OALUTQOASA-N 0 1 378.497 3.811 20 10 GHCDMN COC(=O)c1ccc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cc1 ZINC001231880872 1034964813 /nfs/dbraw/zinc/96/48/13/1034964813.db2.gz MCSUZRKWUMBPJD-UHFFFAOYSA-N 0 1 376.456 3.654 20 10 GHCDMN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)ccc2ccccc21 ZINC001231880309 1034965126 /nfs/dbraw/zinc/96/51/26/1034965126.db2.gz KVWALVFHPHCKGE-ZJSXRUAMSA-N 0 1 390.483 3.606 20 10 GHCDMN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)ccc2ccccc21 ZINC001231880309 1034965130 /nfs/dbraw/zinc/96/51/30/1034965130.db2.gz KVWALVFHPHCKGE-ZJSXRUAMSA-N 0 1 390.483 3.606 20 10 GHCDMN CCOC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2cn(CC3CC3)nc21 ZINC001231910854 1034986034 /nfs/dbraw/zinc/98/60/34/1034986034.db2.gz XNKGULBQPDABDI-QGZVFWFLSA-N 0 1 375.900 3.788 20 10 GHCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001461938274 1069902980 /nfs/dbraw/zinc/90/29/80/1069902980.db2.gz RSJVYSAYIWFGQD-ZDUSSCGKSA-N 0 1 391.336 3.561 20 10 GHCDMN CCc1nnc(C2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)CC2)o1 ZINC001232200032 1035158389 /nfs/dbraw/zinc/15/83/89/1035158389.db2.gz NQUXNWYOLITMIH-UHFFFAOYSA-N 0 1 390.915 3.502 20 10 GHCDMN CCOc1ccc(N2CCN(C[C@@H](CC)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001209472466 1035285079 /nfs/dbraw/zinc/28/50/79/1035285079.db2.gz FDIZVNCPAAGYTM-QGZVFWFLSA-N 0 1 377.529 3.511 20 10 GHCDMN COc1cc(I)cc(CN2[C@@H](C)CCC[C@@H]2C)c1O ZINC001248385862 1035797424 /nfs/dbraw/zinc/79/74/24/1035797424.db2.gz BOSRXDCSUZWJLS-QWRGUYRKSA-N 0 1 375.250 3.768 20 10 GHCDMN COc1cc(I)cc(C[N@H+]2CCC[C@@](C)(F)CC2)c1O ZINC001248390646 1035801579 /nfs/dbraw/zinc/80/15/79/1035801579.db2.gz AFRPSAMDXIOUDD-OAHLLOKOSA-N 0 1 393.240 3.720 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)C)cc1I ZINC001248472321 1035900180 /nfs/dbraw/zinc/90/01/80/1035900180.db2.gz XPIDUORTCONKKM-ZDUSSCGKSA-N 0 1 375.250 3.626 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)C)cc1I ZINC001248472321 1035900182 /nfs/dbraw/zinc/90/01/82/1035900182.db2.gz XPIDUORTCONKKM-ZDUSSCGKSA-N 0 1 375.250 3.626 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1I ZINC001248494236 1035913376 /nfs/dbraw/zinc/91/33/76/1035913376.db2.gz NTUAVQQITRINHF-AAEUAGOBSA-N 0 1 387.261 3.770 20 10 GHCDMN CCN(C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC001248726510 1036086489 /nfs/dbraw/zinc/08/64/89/1036086489.db2.gz MFHISUBAZJEFKS-UHFFFAOYSA-N 0 1 396.274 3.551 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1Cl ZINC001248881936 1036220170 /nfs/dbraw/zinc/22/01/70/1036220170.db2.gz CFBXBCFQYIGAAP-HOTGVXAUSA-N 0 1 376.928 3.643 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)cc1Cl ZINC001248881936 1036220188 /nfs/dbraw/zinc/22/01/88/1036220188.db2.gz CFBXBCFQYIGAAP-HOTGVXAUSA-N 0 1 376.928 3.643 20 10 GHCDMN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248881027 1036220985 /nfs/dbraw/zinc/22/09/85/1036220985.db2.gz ONLQTDHNXDZIBC-WIYYLYMNSA-N 0 1 395.927 3.887 20 10 GHCDMN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001248881027 1036220997 /nfs/dbraw/zinc/22/09/97/1036220997.db2.gz ONLQTDHNXDZIBC-WIYYLYMNSA-N 0 1 395.927 3.887 20 10 GHCDMN CC[N@@H+](Cc1cc(Cl)c(O)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263586 1037984713 /nfs/dbraw/zinc/98/47/13/1037984713.db2.gz SGYFIWNCDPPJHL-ZDUSSCGKSA-N 0 1 384.904 3.830 20 10 GHCDMN CC[N@H+](Cc1cc(Cl)c(O)cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232263586 1037984717 /nfs/dbraw/zinc/98/47/17/1037984717.db2.gz SGYFIWNCDPPJHL-ZDUSSCGKSA-N 0 1 384.904 3.830 20 10 GHCDMN COc1cc(O)c(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1Cl ZINC001232265433 1037985996 /nfs/dbraw/zinc/98/59/96/1037985996.db2.gz LFGCNUVYBUMVJG-SZVBFZGTSA-N 0 1 381.900 3.603 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1Cl ZINC001232265433 1037985998 /nfs/dbraw/zinc/98/59/98/1037985998.db2.gz LFGCNUVYBUMVJG-SZVBFZGTSA-N 0 1 381.900 3.603 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1Cl ZINC001232265433 1037986004 /nfs/dbraw/zinc/98/60/04/1037986004.db2.gz LFGCNUVYBUMVJG-SZVBFZGTSA-N 0 1 381.900 3.603 20 10 GHCDMN COc1cc(O)c(CN2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232266421 1037987625 /nfs/dbraw/zinc/98/76/25/1037987625.db2.gz NYPDTUSKRXSVDA-LJQANCHMSA-N 0 1 382.888 3.640 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc1Cl ZINC001232267820 1037989840 /nfs/dbraw/zinc/98/98/40/1037989840.db2.gz JMKANEFUGWIUBY-MRXNPFEDSA-N 0 1 381.900 3.604 20 10 GHCDMN Cc1nc(Br)ccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001232322691 1038094398 /nfs/dbraw/zinc/09/43/98/1038094398.db2.gz NFPHVDQIFJWVBS-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)cc1Cl ZINC001277666700 1038237049 /nfs/dbraw/zinc/23/70/49/1038237049.db2.gz SOWJNLSUXYAQIN-UHFFFAOYSA-N 0 1 380.916 3.525 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233030590 1038782107 /nfs/dbraw/zinc/78/21/07/1038782107.db2.gz ZNMJZSUGLFIXHK-LLVKDONJSA-N 0 1 388.277 3.848 20 10 GHCDMN COC(=O)[C@H]1CN(Cc2c(O)cc(Br)cc2F)Cc2ccccc21 ZINC001233030437 1038783455 /nfs/dbraw/zinc/78/34/55/1038783455.db2.gz SXXWUDZNUQZWIS-AWEZNQCLSA-N 0 1 394.240 3.566 20 10 GHCDMN O=C(NC1CC[NH+](Cc2c([O-])cc(Br)cc2F)CC1)C1CCCC1 ZINC001233031434 1038786123 /nfs/dbraw/zinc/78/61/23/1038786123.db2.gz DFGTVWHNZMDZND-UHFFFAOYSA-N 0 1 399.304 3.565 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)cc1Br ZINC001233140783 1038918773 /nfs/dbraw/zinc/91/87/73/1038918773.db2.gz TYQBVLLTPMCITI-OAHLLOKOSA-N 0 1 377.282 3.765 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1Br ZINC001233140783 1038918775 /nfs/dbraw/zinc/91/87/75/1038918775.db2.gz TYQBVLLTPMCITI-OAHLLOKOSA-N 0 1 377.282 3.765 20 10 GHCDMN CCOC(=O)c1c(CN2CCC3(CC(F)(F)CO3)CC2)c2ccccc2n1C ZINC001233270317 1039039326 /nfs/dbraw/zinc/03/93/26/1039039326.db2.gz JDPDIBYUSHOHHI-UHFFFAOYSA-N 0 1 392.446 3.745 20 10 GHCDMN COc1cc(Cl)cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1O ZINC001233287845 1039068892 /nfs/dbraw/zinc/06/88/92/1039068892.db2.gz JUCXALQKGHJFJO-LSDHHAIUSA-N 0 1 382.888 3.638 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1[O-] ZINC001233290121 1039074222 /nfs/dbraw/zinc/07/42/22/1039074222.db2.gz KOVSIADFCLQUJO-PKOBYXMFSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c1[O-] ZINC001233290121 1039074230 /nfs/dbraw/zinc/07/42/30/1039074230.db2.gz KOVSIADFCLQUJO-PKOBYXMFSA-N 0 1 388.895 3.678 20 10 GHCDMN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001233416429 1039271081 /nfs/dbraw/zinc/27/10/81/1039271081.db2.gz HWZWOAIZWJGBFZ-CALCHBBNSA-N 0 1 390.405 3.615 20 10 GHCDMN CN(C)C(=O)N1CCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233453706 1039341895 /nfs/dbraw/zinc/34/18/95/1039341895.db2.gz QJUDNDNWFHZIPW-UHFFFAOYSA-N 0 1 385.430 3.523 20 10 GHCDMN O=C(NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[O-])CC1)c1cccc(F)c1 ZINC001233455677 1039345598 /nfs/dbraw/zinc/34/55/98/1039345598.db2.gz UQXMNRQUZSKJQR-UHFFFAOYSA-N 0 1 396.384 3.945 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233767605 1039600094 /nfs/dbraw/zinc/60/00/94/1039600094.db2.gz FSHWJEZIJJGRNV-CYBMUJFWSA-N 0 1 375.387 3.987 20 10 GHCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833414 1039868337 /nfs/dbraw/zinc/86/83/37/1039868337.db2.gz HYWYJCYEMPBWDS-XOBRGWDASA-N 0 1 380.916 3.810 20 10 GHCDMN CC(C)=CCOc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001462467029 1070275312 /nfs/dbraw/zinc/27/53/12/1070275312.db2.gz LISCFXHAADEAPJ-UHFFFAOYSA-N 0 1 393.531 3.713 20 10 GHCDMN CCOCc1nnn2c1C[N@@H+](Cc1cccc(-c3ccccc3)c1O)CCC2 ZINC001234987784 1040483160 /nfs/dbraw/zinc/48/31/60/1040483160.db2.gz KFTQLIDJIHMTOU-UHFFFAOYSA-N 0 1 378.476 3.593 20 10 GHCDMN CCOCc1nnn2c1CN(Cc1cccc(-c3ccccc3)c1O)CCC2 ZINC001234987784 1040483168 /nfs/dbraw/zinc/48/31/68/1040483168.db2.gz KFTQLIDJIHMTOU-UHFFFAOYSA-N 0 1 378.476 3.593 20 10 GHCDMN CCOC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)Cc2cn(C)nc21 ZINC001234987635 1040483859 /nfs/dbraw/zinc/48/38/59/1040483859.db2.gz HYNOJDNUFFQLAU-FQEVSTJZSA-N 0 1 377.488 3.929 20 10 GHCDMN Cc1cccc(C2(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CCCC2)c1 ZINC001462470944 1070280287 /nfs/dbraw/zinc/28/02/87/1070280287.db2.gz ZMPSTWBRBYTUAD-UHFFFAOYSA-N 0 1 391.559 3.875 20 10 GHCDMN CCOCc1cnc2n1CCN(Cc1cc(Br)cc(F)c1O)[C@@H]2C ZINC001235059828 1040550641 /nfs/dbraw/zinc/55/06/41/1040550641.db2.gz GQBVLVVECHAFQT-LLVKDONJSA-N 0 1 398.276 3.604 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235066183 1040555756 /nfs/dbraw/zinc/55/57/56/1040555756.db2.gz YNENSKMUZMTXJU-HNNXBMFYSA-N 0 1 381.245 3.732 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC001235066790 1040557235 /nfs/dbraw/zinc/55/72/35/1040557235.db2.gz NJHYEUHBZRRKNL-CYBMUJFWSA-N 0 1 388.277 3.990 20 10 GHCDMN COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])c1 ZINC001235066832 1040558129 /nfs/dbraw/zinc/55/81/29/1040558129.db2.gz OIZLDSQZYZRGCY-UHFFFAOYSA-N 0 1 382.229 3.712 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001235067942 1040558516 /nfs/dbraw/zinc/55/85/16/1040558516.db2.gz ATQCUERNVHTBBE-IRXDYDNUSA-N 0 1 391.284 3.753 20 10 GHCDMN C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC001462479614 1070289072 /nfs/dbraw/zinc/28/90/72/1070289072.db2.gz HPLUBKBIZXZNDW-JTQLQIEISA-N 0 1 391.281 3.639 20 10 GHCDMN Oc1c(Br)cc(F)cc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001235306427 1040778838 /nfs/dbraw/zinc/77/88/38/1040778838.db2.gz DUJYOOIUMXAEGG-CQSZACIVSA-N 0 1 393.247 3.599 20 10 GHCDMN Oc1c(Br)cc(F)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC001235304844 1040779710 /nfs/dbraw/zinc/77/97/10/1040779710.db2.gz DJHPOOWEWXAPFD-UHFFFAOYSA-N 0 1 378.245 3.520 20 10 GHCDMN COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2cccc(F)c2)cc1 ZINC001255653942 1041194603 /nfs/dbraw/zinc/19/46/03/1041194603.db2.gz FXQLTAOTSLLRJR-UHFFFAOYSA-N 0 1 385.416 3.866 20 10 GHCDMN COc1cc([O-])c(CN(Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236396623 1041700515 /nfs/dbraw/zinc/70/05/15/1041700515.db2.gz PGIBJIXXEWMMPB-INIZCTEOSA-N 0 1 378.875 3.948 20 10 GHCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236663746 1041811132 /nfs/dbraw/zinc/81/11/32/1041811132.db2.gz AGROIJDRYLNKNZ-HNAYVOBHSA-N 0 1 398.341 3.871 20 10 GHCDMN COc1ccc(O[C@H]2CCC[N@H+](Cc3c([O-])cc(OC)cc3Cl)C2)nc1 ZINC001236806466 1041907242 /nfs/dbraw/zinc/90/72/42/1041907242.db2.gz WPFJKOCRCDBNNS-AWEZNQCLSA-N 0 1 378.856 3.501 20 10 GHCDMN COc1ccc(O[C@H]2CCC[N@@H+](Cc3c([O-])cc(OC)cc3Cl)C2)nc1 ZINC001236806466 1041907245 /nfs/dbraw/zinc/90/72/45/1041907245.db2.gz WPFJKOCRCDBNNS-AWEZNQCLSA-N 0 1 378.856 3.501 20 10 GHCDMN COc1ccc(C[N@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808352 1041908698 /nfs/dbraw/zinc/90/86/98/1041908698.db2.gz XIWQJSVRQMGTGD-OCCSQVGLSA-N 0 1 384.904 3.789 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c([O-])c1Cl ZINC001236807867 1041908948 /nfs/dbraw/zinc/90/89/48/1041908948.db2.gz UKQOGMSOMAFTAP-WMZOPIPTSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1cc(C)c(CN2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)c(O)c1 ZINC001236807606 1041908999 /nfs/dbraw/zinc/90/89/99/1041908999.db2.gz GBMBSZXDQVXYPD-XMMPIXPASA-N 0 1 396.531 3.889 20 10 GHCDMN CC[N@H+](Cc1c([O-])cc(OC)cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236809019 1041909857 /nfs/dbraw/zinc/90/98/57/1041909857.db2.gz SKQLUPDKNSVNPE-CYBMUJFWSA-N 0 1 384.904 3.886 20 10 GHCDMN CC[N@@H+](Cc1c([O-])cc(OC)cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001236809019 1041909860 /nfs/dbraw/zinc/90/98/60/1041909860.db2.gz SKQLUPDKNSVNPE-CYBMUJFWSA-N 0 1 384.904 3.886 20 10 GHCDMN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)c(O)c1 ZINC001237042719 1042003287 /nfs/dbraw/zinc/00/32/87/1042003287.db2.gz ZOFDARYKLGZDQR-HSZRJFAPSA-N 0 1 380.488 3.728 20 10 GHCDMN CCOc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(O)c1 ZINC001237043380 1042003819 /nfs/dbraw/zinc/00/38/19/1042003819.db2.gz RHBIEIYBHRTULO-KSEOMHKRSA-N 0 1 375.509 3.730 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(Br)c1 ZINC001237061122 1042015141 /nfs/dbraw/zinc/01/51/41/1042015141.db2.gz XMHVBBUQIAQJAT-HNNXBMFYSA-N 0 1 392.293 3.954 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c(Br)c1 ZINC001237061122 1042015146 /nfs/dbraw/zinc/01/51/46/1042015146.db2.gz XMHVBBUQIAQJAT-HNNXBMFYSA-N 0 1 392.293 3.954 20 10 GHCDMN CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c(O)cccc1OC(F)(F)F ZINC001237113670 1042045184 /nfs/dbraw/zinc/04/51/84/1042045184.db2.gz AMEFNGMBCSTBOV-UHFFFAOYSA-N 0 1 392.418 3.980 20 10 GHCDMN COc1cccc(O[C@H]2CCCN(Cc3cc(C(F)(F)F)ccc3O)C2)n1 ZINC001237145492 1042063618 /nfs/dbraw/zinc/06/36/18/1042063618.db2.gz YWEMCHQLRFYLMK-HNNXBMFYSA-N 0 1 382.382 3.858 20 10 GHCDMN COCCC[N@@H+](Cc1c(C)cccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001237487337 1042230753 /nfs/dbraw/zinc/23/07/53/1042230753.db2.gz ICKUFMYXGTXJKK-SFHVURJKSA-N 0 1 392.540 3.939 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)Cc2nn(CC3CC3)cc21 ZINC001237619166 1042286047 /nfs/dbraw/zinc/28/60/47/1042286047.db2.gz OPMSBZXLELINMW-HNNXBMFYSA-N 0 1 393.890 3.927 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001237620105 1042287220 /nfs/dbraw/zinc/28/72/20/1042287220.db2.gz JAXPKZQOLJYWLL-UHFFFAOYSA-N 0 1 384.842 3.638 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001237776476 1042363756 /nfs/dbraw/zinc/36/37/56/1042363756.db2.gz AVCLLSSUIZIDEB-HNNXBMFYSA-N 0 1 395.240 3.650 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2cccc(I)c2[O-])CCC1(F)F ZINC001237776233 1042364056 /nfs/dbraw/zinc/36/40/56/1042364056.db2.gz JHOFMCVHUCLZPU-JTQLQIEISA-N 0 1 381.204 3.864 20 10 GHCDMN Oc1c(Cl)cc(F)cc1CN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001237799381 1042376435 /nfs/dbraw/zinc/37/64/35/1042376435.db2.gz HSVVHZYLHFZBBI-NLWGTHIKSA-N 0 1 392.858 3.528 20 10 GHCDMN Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(F)cc(Cl)c4[O-])CC[N@H+]3C2)cc1 ZINC001237812405 1042381532 /nfs/dbraw/zinc/38/15/32/1042381532.db2.gz FXEFQPKHEGFPQW-IEBWSBKVSA-N 0 1 390.886 3.831 20 10 GHCDMN Oc1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237936124 1042427287 /nfs/dbraw/zinc/42/72/87/1042427287.db2.gz GSBNDZZXWPASLZ-RDJZCZTQSA-N 0 1 394.849 3.661 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237936124 1042427288 /nfs/dbraw/zinc/42/72/88/1042427288.db2.gz GSBNDZZXWPASLZ-RDJZCZTQSA-N 0 1 394.849 3.661 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001237936124 1042427292 /nfs/dbraw/zinc/42/72/92/1042427292.db2.gz GSBNDZZXWPASLZ-RDJZCZTQSA-N 0 1 394.849 3.661 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cc(F)cc(C)c3O)C[C@H]12 ZINC001238061183 1042478725 /nfs/dbraw/zinc/47/87/25/1042478725.db2.gz NOECCTUYEMVTHS-JTHBVZDNSA-N 0 1 382.479 3.604 20 10 GHCDMN Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001298840536 1045962996 /nfs/dbraw/zinc/96/29/96/1045962996.db2.gz BGLDKVLDHSKRRG-UHFFFAOYSA-N 0 1 391.254 3.789 20 10 GHCDMN Cc1cc(CC(=O)N[C@@H](C)C2=NN(C)CC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001304545130 1047708347 /nfs/dbraw/zinc/70/83/47/1047708347.db2.gz MUOWAMAUPJYGEW-ZDUSSCGKSA-N 0 1 386.883 3.607 20 10 GHCDMN Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279491110 1047823229 /nfs/dbraw/zinc/82/32/29/1047823229.db2.gz VIAHKCHXXQNALA-AGUYFDCRSA-N 0 1 379.476 3.721 20 10 GHCDMN [O-]c1c(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)ccc(F)c1F ZINC001279697747 1047920847 /nfs/dbraw/zinc/92/08/47/1047920847.db2.gz UQEKBLGRJWBCGR-UHFFFAOYSA-N 0 1 378.385 3.911 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CC(F)(F)C2)C1 ZINC001288392521 1049072429 /nfs/dbraw/zinc/07/24/29/1049072429.db2.gz SQMDVCNZBCEILK-UHFFFAOYSA-N 0 1 389.490 3.959 20 10 GHCDMN COc1cc2nc(C)sc2cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001308317097 1049947298 /nfs/dbraw/zinc/94/72/98/1049947298.db2.gz LXQYPZMFZONUBF-UHFFFAOYSA-N 0 1 382.533 3.977 20 10 GHCDMN CCOc1ccc(C[C@H](C[NH2+]Cc2c([O-])cc(C)cc2Cl)C(=O)OC)cc1 ZINC001308644397 1050045230 /nfs/dbraw/zinc/04/52/30/1050045230.db2.gz FKRBBSXWPLAKIU-MRXNPFEDSA-N 0 1 391.895 3.874 20 10 GHCDMN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001308834794 1050114175 /nfs/dbraw/zinc/11/41/75/1050114175.db2.gz AHMLWXDCIVRTHV-NEPJUHHUSA-N 0 1 387.318 3.936 20 10 GHCDMN COC(=O)[C@@H](Cc1cc2ccccc2o1)NCc1c(O)ccc(Cl)c1F ZINC001308937307 1050196148 /nfs/dbraw/zinc/19/61/48/1050196148.db2.gz WCURHZCSSVGXQT-OAHLLOKOSA-N 0 1 377.799 3.805 20 10 GHCDMN O=C([O-])[C@H](CSCCc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756382417 1051062002 /nfs/dbraw/zinc/06/20/02/1051062002.db2.gz KPORJVMIVJPNCR-HNNXBMFYSA-N 0 1 383.872 3.703 20 10 GHCDMN Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001333725845 1051821093 /nfs/dbraw/zinc/82/10/93/1051821093.db2.gz RHOGZMTZVHXHNN-OAHLLOKOSA-N 0 1 378.929 3.529 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc4scnc4c3)SC2=S)CC1 ZINC001336371388 1052263663 /nfs/dbraw/zinc/26/36/63/1052263663.db2.gz XEWVWKIDTHZRNL-OQLLNIDSSA-N 0 1 375.544 3.592 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)NC3CC(C)(C)CC(C)(C)C3)cc2)CC1 ZINC001312409256 1052732351 /nfs/dbraw/zinc/73/23/51/1052732351.db2.gz RLJQPAWIYPJAGB-UHFFFAOYSA-N 0 1 386.584 3.843 20 10 GHCDMN CC(C)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC001312587010 1052800753 /nfs/dbraw/zinc/80/07/53/1052800753.db2.gz VMFARLMSDNKXAJ-KRWDZBQOSA-N 0 1 392.975 3.812 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)cc2)CC1 ZINC001313211064 1052986111 /nfs/dbraw/zinc/98/61/11/1052986111.db2.gz MCNZGUPJZQSFNK-RTWAWAEBSA-N 0 1 386.584 3.843 20 10 GHCDMN Cc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313212379 1052986514 /nfs/dbraw/zinc/98/65/14/1052986514.db2.gz RJHAJSDTZOTUTI-UHFFFAOYSA-N 0 1 394.563 3.567 20 10 GHCDMN CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001353916103 1056127226 /nfs/dbraw/zinc/12/72/26/1056127226.db2.gz QVBFXJSUOCOJMZ-WGLWSTOQSA-N 0 1 386.442 3.844 20 10 GHCDMN C[NH+]1CCN(c2ccc(/C=C(\CC(=O)[O-])c3nc4ccccc4o3)cc2F)CC1 ZINC001323445924 1056971332 /nfs/dbraw/zinc/97/13/32/1056971332.db2.gz VEQJFZJAITZQIK-FOWTUZBSSA-N 0 1 395.434 3.734 20 10 GHCDMN Cc1nn(-c2ccc(C)cc2)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000848530791 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CCN1CCN(c2ccc(CNC(=O)c3nc4ccccc4s3)cc2F)CC1 ZINC001464950344 1065287126 /nfs/dbraw/zinc/28/71/26/1065287126.db2.gz ZBHMLUVESZJNIV-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465952265 1065935948 /nfs/dbraw/zinc/93/59/48/1065935948.db2.gz ZEBNRKKDUUZGRQ-CQAXQDJESA-N 0 1 376.928 3.808 20 10 GHCDMN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001469752211 1068358515 /nfs/dbraw/zinc/35/85/15/1068358515.db2.gz KOKRDIPIKQYXBP-UIHPAGJFSA-N 0 1 380.488 3.621 20 10 GHCDMN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1 ZINC001469807157 1068401096 /nfs/dbraw/zinc/40/10/96/1068401096.db2.gz VEIXYPWNYUZQBN-UHFFFAOYSA-N 0 1 392.503 3.911 20 10 GHCDMN COc1ccc(Cl)cc1[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC001474146720 1074276843 /nfs/dbraw/zinc/27/68/43/1074276843.db2.gz ZVTHAKYNQVZRJP-HNNXBMFYSA-N 0 1 386.673 3.640 20 10 GHCDMN COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Br)cc1[O-] ZINC001474375045 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C[C@@H](c1ccccc1)N(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000776004245 875089345 /nfs/dbraw/zinc/08/93/45/875089345.db2.gz LRFKFGOQRNLJAW-PGRDOPGGSA-N 0 1 394.515 3.593 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000771866594 875505795 /nfs/dbraw/zinc/50/57/95/875505795.db2.gz FSJVMGWRDDIELX-QGZVFWFLSA-N 0 1 383.492 3.914 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000771866594 875505803 /nfs/dbraw/zinc/50/58/03/875505803.db2.gz FSJVMGWRDDIELX-QGZVFWFLSA-N 0 1 383.492 3.914 20 10 GHCDMN CCOCc1cc(CNCc2ccc(C)cc2O[C@H]2CCOC2)ccc1OC ZINC001201406578 875660896 /nfs/dbraw/zinc/66/08/96/875660896.db2.gz DAAXWMXJYKSLMY-NRFANRHFSA-N 0 1 385.504 3.998 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3ncc(Br)s3)C2)cc1 ZINC000850488893 876966434 /nfs/dbraw/zinc/96/64/34/876966434.db2.gz PAZDAVLHUYUYPW-RYUDHWBXSA-N 0 1 382.327 3.844 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000850540533 877009513 /nfs/dbraw/zinc/00/95/13/877009513.db2.gz MCGGJZYJXDXAPL-QEORTHHSSA-N 0 1 378.314 3.950 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000787246311 877261550 /nfs/dbraw/zinc/26/15/50/877261550.db2.gz VVKQRUXLSLIGAT-MRXNPFEDSA-N 0 1 378.513 3.884 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1Cl ZINC000788489798 878098456 /nfs/dbraw/zinc/09/84/56/878098456.db2.gz PQLVONOSZZMHKV-UHFFFAOYSA-N 0 1 385.869 3.951 20 10 GHCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746778164 878504960 /nfs/dbraw/zinc/50/49/60/878504960.db2.gz TZVUHUKGPXOSCZ-UGSOOPFHSA-N 0 1 391.899 3.717 20 10 GHCDMN Oc1c(Br)cccc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000180544881 879022838 /nfs/dbraw/zinc/02/28/38/879022838.db2.gz YUGAYDOHBMQBGS-ZFWWWQNUSA-N 0 1 398.322 3.541 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)c2ccccn2)C1 ZINC000617070948 879358751 /nfs/dbraw/zinc/35/87/51/879358751.db2.gz AEZZFBORBFVURY-GOSISDBHSA-N 0 1 390.531 3.723 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)c2ccccn2)C1 ZINC000617070948 879358772 /nfs/dbraw/zinc/35/87/72/879358772.db2.gz AEZZFBORBFVURY-GOSISDBHSA-N 0 1 390.531 3.723 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000790409734 879686632 /nfs/dbraw/zinc/68/66/32/879686632.db2.gz WDCJJQPEVFZTLW-UHFFFAOYSA-N 0 1 375.450 3.522 20 10 GHCDMN C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cc(Cl)ccc3[O-])c2)C1=O ZINC000790609694 879884971 /nfs/dbraw/zinc/88/49/71/879884971.db2.gz KHOXFCSIFXFXJK-NRFANRHFSA-N 0 1 399.878 3.560 20 10 GHCDMN CCCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccccc1O ZINC000112691433 880086530 /nfs/dbraw/zinc/08/65/30/880086530.db2.gz DLINFOBLSYGDFI-UHFFFAOYSA-N 0 1 396.466 3.876 20 10 GHCDMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510855 912608317 /nfs/dbraw/zinc/60/83/17/912608317.db2.gz HQQSEDHKXWPVAH-OPAMFIHVSA-N 0 1 388.458 3.536 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000792165462 880956447 /nfs/dbraw/zinc/95/64/47/880956447.db2.gz GPICDAMTGGZKBT-UHFFFAOYSA-N 0 1 386.858 3.577 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792168764 880959493 /nfs/dbraw/zinc/95/94/93/880959493.db2.gz FRHDWNBDGFPEBH-UHFFFAOYSA-N 0 1 395.858 3.811 20 10 GHCDMN COCCOc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000804922909 883450754 /nfs/dbraw/zinc/45/07/54/883450754.db2.gz JYHUTXLHAAERLI-UHFFFAOYSA-N 0 1 399.274 3.724 20 10 GHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2 ZINC000804889746 883454740 /nfs/dbraw/zinc/45/47/40/883454740.db2.gz RGLHMQCRQHQNHE-SECBINFHSA-N 0 1 383.231 3.988 20 10 GHCDMN CC(C)Oc1ncccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804956952 883510453 /nfs/dbraw/zinc/51/04/53/883510453.db2.gz JNUOFYSTGQNMQP-UHFFFAOYSA-N 0 1 384.263 3.881 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000805229806 883676459 /nfs/dbraw/zinc/67/64/59/883676459.db2.gz YDPCUWQJZKMXDU-APHBMKBZSA-N 0 1 385.291 3.846 20 10 GHCDMN O=C(NCC[C@H]1COc2ccccc2O1)NCc1cc(Cl)cc(Cl)c1O ZINC000805216005 883697600 /nfs/dbraw/zinc/69/76/00/883697600.db2.gz CWUKBGFUMKLWFF-ZDUSSCGKSA-N 0 1 397.258 3.728 20 10 GHCDMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816354 884085662 /nfs/dbraw/zinc/08/56/62/884085662.db2.gz ZWQLCWJMXVISFL-QPPBQGQZSA-N 0 1 376.500 3.936 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC001183755314 912800304 /nfs/dbraw/zinc/80/03/04/912800304.db2.gz PSJDQVZCSVKVGJ-UONOGXRCSA-N 0 1 396.325 3.954 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1C1CC1 ZINC001183755314 912800316 /nfs/dbraw/zinc/80/03/16/912800316.db2.gz PSJDQVZCSVKVGJ-UONOGXRCSA-N 0 1 396.325 3.954 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527470 884543508 /nfs/dbraw/zinc/54/35/08/884543508.db2.gz VWKHZDNZRAPTBY-ICSRJNTNSA-N 0 1 375.415 3.982 20 10 GHCDMN Cc1nc(CN2CC[C@]3(CCCN3Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC001275254834 912843216 /nfs/dbraw/zinc/84/32/16/912843216.db2.gz WIOCMVUDKUJLIV-LJQANCHMSA-N 0 1 391.924 3.578 20 10 GHCDMN O=C(NCC1CCCC1)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275254189 912852209 /nfs/dbraw/zinc/85/22/09/912852209.db2.gz MCRZDUJDMSVUJA-GOSISDBHSA-N 0 1 376.928 3.954 20 10 GHCDMN Cc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)n1-c1ccccn1 ZINC000914848246 884937068 /nfs/dbraw/zinc/93/70/68/884937068.db2.gz OCJORFFJUCEGEI-GOSISDBHSA-N 0 1 388.515 3.666 20 10 GHCDMN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1OCC ZINC000761998882 885187202 /nfs/dbraw/zinc/18/72/02/885187202.db2.gz AEHMQWYVGLIUJM-UHFFFAOYSA-N 0 1 395.477 3.778 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1Cc2ccccc2C1 ZINC000762098952 885377763 /nfs/dbraw/zinc/37/77/63/885377763.db2.gz MHPRUCJHEWPDSS-FQEVSTJZSA-N 0 1 384.907 3.541 20 10 GHCDMN CCCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807511923 885496676 /nfs/dbraw/zinc/49/66/76/885496676.db2.gz FROUHMVBZLWNRF-UHFFFAOYSA-N 0 1 397.258 3.743 20 10 GHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1ccccc1 ZINC000807839373 885805883 /nfs/dbraw/zinc/80/58/83/885805883.db2.gz MHTKKIUKPFYZTF-UHFFFAOYSA-N 0 1 377.231 3.518 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cc(C(F)(F)F)nc2ncnn21 ZINC000808090143 886010137 /nfs/dbraw/zinc/01/01/37/886010137.db2.gz QQDDCSWDHXMDKY-UHFFFAOYSA-N 0 1 378.141 3.768 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000808095174 886014105 /nfs/dbraw/zinc/01/41/05/886014105.db2.gz UQRUCLBMNVLCEP-UHFFFAOYSA-N 0 1 376.840 3.851 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000862329435 886293687 /nfs/dbraw/zinc/29/36/87/886293687.db2.gz XXQHFEKNXUEKSL-UHFFFAOYSA-N 0 1 394.284 3.863 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000862341896 886304185 /nfs/dbraw/zinc/30/41/85/886304185.db2.gz GKJNQUFKZZPNQC-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000862341896 886304198 /nfs/dbraw/zinc/30/41/98/886304198.db2.gz GKJNQUFKZZPNQC-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000808455278 886367769 /nfs/dbraw/zinc/36/77/69/886367769.db2.gz ZJCHVBPGRYQQOR-IBGZPJMESA-N 0 1 378.875 3.793 20 10 GHCDMN Cc1cc(C2(NCc3cc(Br)cc(C)c3O)CCOCC2)on1 ZINC000862542003 886453712 /nfs/dbraw/zinc/45/37/12/886453712.db2.gz BPCCNHCBGWRMLT-UHFFFAOYSA-N 0 1 381.270 3.555 20 10 GHCDMN C[C@@H](NCc1cc2c(cc1Cl)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000808744250 886758870 /nfs/dbraw/zinc/75/88/70/886758870.db2.gz XMPGCCNGQQMHNZ-OAHLLOKOSA-N 0 1 388.895 3.799 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809750305 887786007 /nfs/dbraw/zinc/78/60/07/887786007.db2.gz TVTCUJXXUADMNH-HNNXBMFYSA-N 0 1 395.297 3.859 20 10 GHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cc(Br)ccc1[O-] ZINC000810245494 888345447 /nfs/dbraw/zinc/34/54/47/888345447.db2.gz CUVPXJKELKOEPI-IXDGSTSKSA-N 0 1 376.294 3.972 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)NCCc2ccc(Cl)cc2)C2CC2)cc1 ZINC000917073806 890962977 /nfs/dbraw/zinc/96/29/77/890962977.db2.gz BDRPOHICYJROTO-UHFFFAOYSA-N 0 1 385.939 3.729 20 10 GHCDMN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074059 890964095 /nfs/dbraw/zinc/96/40/95/890964095.db2.gz OOVYAQLMLKFADC-KRWDZBQOSA-N 0 1 381.520 3.603 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N[C@@H](C)CCCC(C)C)CC2)cc1 ZINC000917089667 891081703 /nfs/dbraw/zinc/08/17/03/891081703.db2.gz CRYFCKWXJYHQPW-IBGZPJMESA-N 0 1 375.557 3.538 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000873186248 891512141 /nfs/dbraw/zinc/51/21/41/891512141.db2.gz JQCYSLGNIGUJIB-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN CCOc1ccc(NC(=O)[C@H](C)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000917210039 891578059 /nfs/dbraw/zinc/57/80/59/891578059.db2.gz KCTZSJOUJCDOHT-SFHVURJKSA-N 0 1 397.519 3.633 20 10 GHCDMN CC1CCN(c2cccc(NC(=O)c3ccccc3NS(C)(=O)=O)c2)CC1 ZINC000124504188 891606839 /nfs/dbraw/zinc/60/68/39/891606839.db2.gz RBGLTIMMSINOSU-UHFFFAOYSA-N 0 1 387.505 3.547 20 10 GHCDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683844 891875289 /nfs/dbraw/zinc/87/52/89/891875289.db2.gz FIYSKHTVUAQXPE-UHFFFAOYSA-N 0 1 385.203 3.936 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000813682958 891876131 /nfs/dbraw/zinc/87/61/31/891876131.db2.gz ODWCKSWNJVXMNX-CABCVRRESA-N 0 1 399.318 3.744 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000813855572 892025923 /nfs/dbraw/zinc/02/59/23/892025923.db2.gz QGHQGVJNXWKWBQ-CYBMUJFWSA-N 0 1 398.265 3.916 20 10 GHCDMN CCn1ncc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1C ZINC000874815529 892336958 /nfs/dbraw/zinc/33/69/58/892336958.db2.gz YJKCIXYEMZDERZ-UHFFFAOYSA-N 0 1 379.508 3.571 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000125219528 892382269 /nfs/dbraw/zinc/38/22/69/892382269.db2.gz BSNPXIXGTWHFCO-KNQAVFIVSA-N 0 1 393.531 3.576 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(F)ccc3Cl)cc2F)CC1 ZINC000814313518 892512584 /nfs/dbraw/zinc/51/25/84/892512584.db2.gz BEGXPPUMFFPVIH-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825900598 893315983 /nfs/dbraw/zinc/31/59/83/893315983.db2.gz OFFZYOPHBWBKCN-WDEREUQCSA-N 0 1 382.917 3.521 20 10 GHCDMN CCc1nocc1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000815134619 893509889 /nfs/dbraw/zinc/50/98/89/893509889.db2.gz ABESZRVTPXDFPG-LJQANCHMSA-N 0 1 388.512 3.659 20 10 GHCDMN Cc1cc(C[NH2+]Cc2ccc(Br)cc2[O-])cc(N2CCCC2)n1 ZINC000825949457 893547068 /nfs/dbraw/zinc/54/70/68/893547068.db2.gz VOORAWWVKYKNQC-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816537403 894907678 /nfs/dbraw/zinc/90/76/78/894907678.db2.gz DLZTZJATLLOUCF-UHFFFAOYSA-N 0 1 384.501 3.522 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000816940964 895226895 /nfs/dbraw/zinc/22/68/95/895226895.db2.gz RDFGHFLUBPPYEU-ABAIWWIYSA-N 0 1 392.297 3.592 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774907407 914001082 /nfs/dbraw/zinc/00/10/82/914001082.db2.gz BAJOZLCOGIHWIM-SFHVURJKSA-N 0 1 386.448 3.533 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774907407 914001087 /nfs/dbraw/zinc/00/10/87/914001087.db2.gz BAJOZLCOGIHWIM-SFHVURJKSA-N 0 1 386.448 3.533 20 10 GHCDMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128555193 895791506 /nfs/dbraw/zinc/79/15/06/895791506.db2.gz NBFYJMFMBLHDGE-PMACEKPBSA-N 0 1 395.547 3.529 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000130599373 897149696 /nfs/dbraw/zinc/14/96/96/897149696.db2.gz URLZYDBQOYRTPR-UHFFFAOYSA-N 0 1 376.504 3.652 20 10 GHCDMN Cc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cc(N2CCCC2)n1 ZINC000289734637 914321107 /nfs/dbraw/zinc/32/11/07/914321107.db2.gz HBCBUTMGFNMJJL-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000824542772 899702521 /nfs/dbraw/zinc/70/25/21/899702521.db2.gz XKCIZSGGDYDZGP-AWEZNQCLSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000824542772 899702529 /nfs/dbraw/zinc/70/25/29/899702529.db2.gz XKCIZSGGDYDZGP-AWEZNQCLSA-N 0 1 387.281 3.577 20 10 GHCDMN Cc1cccc2c1CCN2C(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000824649589 899736540 /nfs/dbraw/zinc/73/65/40/899736540.db2.gz FYPPCQCIFNCCPD-OAHLLOKOSA-N 0 1 396.491 3.645 20 10 GHCDMN CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000824903226 899870441 /nfs/dbraw/zinc/87/04/41/899870441.db2.gz BVYNSCYRWAHAPT-UHFFFAOYSA-N 0 1 387.911 3.758 20 10 GHCDMN COc1ccc(CC[NH2+]Cc2ccc(Br)cc2[O-])c(OC)c1OC ZINC000825203822 900024313 /nfs/dbraw/zinc/02/43/13/900024313.db2.gz HIRRRDIQVINDBV-UHFFFAOYSA-N 0 1 396.281 3.513 20 10 GHCDMN CCOc1cccc(C[N@@H+](CCO)Cc2cccc(Br)c2[O-])c1 ZINC000825299780 900078231 /nfs/dbraw/zinc/07/82/31/900078231.db2.gz OBMMNKOYLSVYLJ-UHFFFAOYSA-N 0 1 380.282 3.548 20 10 GHCDMN CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1nnc2ccccn21 ZINC000825422059 900158755 /nfs/dbraw/zinc/15/87/55/900158755.db2.gz KAOZBICAWMGEJM-INIZCTEOSA-N 0 1 375.270 3.684 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299964 901650798 /nfs/dbraw/zinc/65/07/98/901650798.db2.gz NSJMCAWHXILPGY-LLVKDONJSA-N 0 1 388.277 3.848 20 10 GHCDMN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@@H]1C ZINC001144308719 901703530 /nfs/dbraw/zinc/70/35/30/901703530.db2.gz UTVTYOHXCMSECD-RYUDHWBXSA-N 0 1 388.277 3.705 20 10 GHCDMN Cc1nn(-c2cccc(C)c2)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000845926348 902535984 /nfs/dbraw/zinc/53/59/84/902535984.db2.gz YWAWDUWDEXMJHR-UHFFFAOYSA-N 0 1 394.494 3.755 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846103535 902717969 /nfs/dbraw/zinc/71/79/69/902717969.db2.gz QBARRSLLWLADSF-INIZCTEOSA-N 0 1 389.381 3.899 20 10 GHCDMN Cc1cc(CC(=O)N2CCN(C3CCC3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001146467937 903538332 /nfs/dbraw/zinc/53/83/32/903538332.db2.gz HAVQXQCPBVEBHN-UHFFFAOYSA-N 0 1 385.939 3.987 20 10 GHCDMN C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1[O-] ZINC000779083106 904041150 /nfs/dbraw/zinc/04/11/50/904041150.db2.gz VBJIVIYYGXAWOQ-LBPRGKRZSA-N 0 1 375.266 3.977 20 10 GHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000151561395 904156485 /nfs/dbraw/zinc/15/64/85/904156485.db2.gz WIGIPANLPFBWNY-QGZVFWFLSA-N 0 1 384.520 3.763 20 10 GHCDMN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773042516 904393219 /nfs/dbraw/zinc/39/32/19/904393219.db2.gz BNODFNWPWKOUFI-WZQKQDCOSA-N 0 1 392.952 3.765 20 10 GHCDMN CCCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1O ZINC000801599520 921176856 /nfs/dbraw/zinc/17/68/56/921176856.db2.gz RJHSUGJUOPXJID-UHFFFAOYSA-N 0 1 395.503 3.525 20 10 GHCDMN CC(C)[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cn1 ZINC000779393549 906700066 /nfs/dbraw/zinc/70/00/66/906700066.db2.gz SLIXJFYUCDNHKL-OAQYLSRUSA-N 0 1 375.463 3.808 20 10 GHCDMN COc1cc(OC)cc([C@H](NCc2cccc(Cl)c2O)c2nccn2C)c1 ZINC000181035743 906903306 /nfs/dbraw/zinc/90/33/06/906903306.db2.gz ZDJVATLEGFJUNP-SFHVURJKSA-N 0 1 387.867 3.676 20 10 GHCDMN COc1cc(OC)cc([C@@H](NCc2cccc(Cl)c2O)c2nccn2C)c1 ZINC000181035723 906903456 /nfs/dbraw/zinc/90/34/56/906903456.db2.gz ZDJVATLEGFJUNP-GOSISDBHSA-N 0 1 387.867 3.676 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000182571556 907231590 /nfs/dbraw/zinc/23/15/90/907231590.db2.gz LDIKFCRITLJTBH-FQEVSTJZSA-N 0 1 394.437 3.542 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Br)ccc1[O-] ZINC000185649645 907804887 /nfs/dbraw/zinc/80/48/87/907804887.db2.gz ICMOQXGZVDDKLK-GFCCVEGCSA-N 0 1 398.322 3.550 20 10 GHCDMN Nc1ccc2c(c1Nc1c(F)cc(F)c(O)c1F)C(=O)c1ccccc1C2=O ZINC001176670813 908202505 /nfs/dbraw/zinc/20/25/05/908202505.db2.gz LWWBGWZSWZJBGI-UHFFFAOYSA-N 0 1 384.313 3.911 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000195560761 909019318 /nfs/dbraw/zinc/01/93/18/909019318.db2.gz KSBQPQOLSGJVTP-NRFANRHFSA-N 0 1 386.515 3.774 20 10 GHCDMN C[C@@](CO)(NCc1ccc2c(c1)CCCO2)c1ccc(Br)cc1 ZINC001178700029 909196729 /nfs/dbraw/zinc/19/67/29/909196729.db2.gz HGLHKSJWVSYJIS-IBGZPJMESA-N 0 1 376.294 3.771 20 10 GHCDMN COc1ccsc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000268793967 910020890 /nfs/dbraw/zinc/02/08/90/910020890.db2.gz NFUDPIFTXFMTPN-UHFFFAOYSA-N 0 1 386.439 3.902 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000801928524 921638320 /nfs/dbraw/zinc/63/83/20/921638320.db2.gz UWZPJJBHVBGADO-INIZCTEOSA-N 0 1 398.894 3.625 20 10 GHCDMN N#Cc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)c1 ZINC000092034326 911376173 /nfs/dbraw/zinc/37/61/73/911376173.db2.gz ZPBDXSMZUXXFEP-UHFFFAOYSA-N 0 1 395.478 3.577 20 10 GHCDMN CCOc1ccccc1[C@H](CC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000775085215 915030673 /nfs/dbraw/zinc/03/06/73/915030673.db2.gz GOJBWVUNBKBHCC-NRFANRHFSA-N 0 1 383.536 3.851 20 10 GHCDMN CCCCOc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001189325732 916556136 /nfs/dbraw/zinc/55/61/36/916556136.db2.gz UPANCPVQXVBYCK-UHFFFAOYSA-N 0 1 396.535 3.939 20 10 GHCDMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000775283689 916796297 /nfs/dbraw/zinc/79/62/97/916796297.db2.gz BRZUSXFDRQGCIB-UHFFFAOYSA-N 0 1 385.869 3.570 20 10 GHCDMN Cn1c(CNCc2cc(Br)ccc2O)nc2cccc(Cl)c21 ZINC000775318015 916896248 /nfs/dbraw/zinc/89/62/48/916896248.db2.gz CNPAXOIAPFBVJL-UHFFFAOYSA-N 0 1 380.673 3.985 20 10 GHCDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000775403923 917483252 /nfs/dbraw/zinc/48/32/52/917483252.db2.gz KHRSKKCVRUAXKY-OAHLLOKOSA-N 0 1 395.532 3.816 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cc(Br)ccc1[O-] ZINC000775484392 918234641 /nfs/dbraw/zinc/23/46/41/918234641.db2.gz CINAYPXEYBJIEN-NVXWUHKLSA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775484309 918235305 /nfs/dbraw/zinc/23/53/05/918235305.db2.gz AZTHNSSRHKUGHH-IAGOWNOFSA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775494289 918297560 /nfs/dbraw/zinc/29/75/60/918297560.db2.gz ZBIHMXFRTUUISA-SFHVURJKSA-N 0 1 376.884 3.754 20 10 GHCDMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296613981 918471858 /nfs/dbraw/zinc/47/18/58/918471858.db2.gz WLTKUQRHUAUAHP-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000800519548 920240352 /nfs/dbraw/zinc/24/03/52/920240352.db2.gz RPFBWWJOKZTASS-VIFPVBQESA-N 0 1 390.237 3.531 20 10 GHCDMN CC(=O)NCCN(Cc1ccc(Br)s1)Cc1cc(C)ccc1O ZINC000800543730 920261493 /nfs/dbraw/zinc/26/14/93/920261493.db2.gz JDNOZXDUYADFQQ-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN O=C(NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)c1ccccc1 ZINC000749024195 923984303 /nfs/dbraw/zinc/98/43/03/923984303.db2.gz SZFSNQMTFHJCMU-QGZVFWFLSA-N 0 1 375.472 3.582 20 10 GHCDMN O=C(NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1)c1ccccc1 ZINC000749024195 923984309 /nfs/dbraw/zinc/98/43/09/923984309.db2.gz SZFSNQMTFHJCMU-QGZVFWFLSA-N 0 1 375.472 3.582 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001276076883 925236283 /nfs/dbraw/zinc/23/62/83/925236283.db2.gz JSTOELXFRNAZGB-LJQANCHMSA-N 0 1 393.325 3.522 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001276076883 925236285 /nfs/dbraw/zinc/23/62/85/925236285.db2.gz JSTOELXFRNAZGB-LJQANCHMSA-N 0 1 393.325 3.522 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276078285 925248047 /nfs/dbraw/zinc/24/80/47/925248047.db2.gz KYHMGKNMOSZDDJ-HNNXBMFYSA-N 0 1 395.341 3.673 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cccc2Br)N1C1CCCC1 ZINC001276076676 925259152 /nfs/dbraw/zinc/25/91/52/925259152.db2.gz GHPUJOSOJTXSFH-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2Br)N1C1CCCC1 ZINC001276076676 925259155 /nfs/dbraw/zinc/25/91/55/925259155.db2.gz GHPUJOSOJTXSFH-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cccc2Br)N1C1CCCC1 ZINC001276076676 925259159 /nfs/dbraw/zinc/25/91/59/925259159.db2.gz GHPUJOSOJTXSFH-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000827391125 925414040 /nfs/dbraw/zinc/41/40/40/925414040.db2.gz XPLRZIJIMSUXAU-UHFFFAOYSA-N 0 1 383.511 3.763 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C/C=C/c3cccc(F)c3)cc2F)CC1 ZINC000749382850 927081235 /nfs/dbraw/zinc/08/12/35/927081235.db2.gz SGKOTQNDBRIQNC-GQCTYLIASA-N 0 1 399.485 3.826 20 10 GHCDMN Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749417223 927095693 /nfs/dbraw/zinc/09/56/93/927095693.db2.gz SAFJOAOZIRVXAB-UHFFFAOYSA-N 0 1 395.547 3.648 20 10 GHCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892271 930630017 /nfs/dbraw/zinc/63/00/17/930630017.db2.gz IVSDXELWYAQVDS-ZJUUUORDSA-N 0 1 393.119 3.510 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1[O-] ZINC000782078424 931083035 /nfs/dbraw/zinc/08/30/35/931083035.db2.gz NYIXCMAODXVYBT-INIZCTEOSA-N 0 1 398.684 3.834 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924705322 931480670 /nfs/dbraw/zinc/48/06/70/931480670.db2.gz AHXRHABEHZMKCC-QGZVFWFLSA-N 0 1 379.533 3.671 20 10 GHCDMN CC[C@H](c1cc(Br)ccc1O)N1CCc2sc(CN)nc2C1 ZINC000925750510 931893026 /nfs/dbraw/zinc/89/30/26/931893026.db2.gz GZHUGFAEYMCJFE-CYBMUJFWSA-N 0 1 382.327 3.579 20 10 GHCDMN Cc1cc(Br)cc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000784677069 931975767 /nfs/dbraw/zinc/97/57/67/931975767.db2.gz YWLMAEXUAMFARZ-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000797943563 932466513 /nfs/dbraw/zinc/46/65/13/932466513.db2.gz SWQFCAGQAKJFMY-BBRMVZONSA-N 0 1 386.870 3.952 20 10 GHCDMN CN(C)c1ccc(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2O)cc1F ZINC001625952194 1014529723 /nfs/dbraw/zinc/52/97/23/1014529723.db2.gz WXGNDEPFCFKSFV-UHFFFAOYSA-N 0 1 382.391 3.600 20 10 GHCDMN CC[C@@]([NH2+]Cc1cc(Br)cc(F)c1O)(C(=O)[O-])c1ccccc1 ZINC001595298519 980418694 /nfs/dbraw/zinc/41/86/94/980418694.db2.gz NNVIVFKPLQCGOV-KRWDZBQOSA-N 0 1 382.229 3.774 20 10 GHCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c3[nH]cnc3ccc2F)cc1 ZINC001626105824 1014889849 /nfs/dbraw/zinc/88/98/49/1014889849.db2.gz HWTGRSRKBMECTG-QGZVFWFLSA-N 0 1 396.466 3.589 20 10 GHCDMN CCc1cccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1O ZINC001597586218 988401972 /nfs/dbraw/zinc/40/19/72/988401972.db2.gz BCQAOHOSOOTBNC-KRWDZBQOSA-N 0 1 390.277 3.729 20 10 GHCDMN COc1ccc(N2CCC[N@H+]([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586051 993614529 /nfs/dbraw/zinc/61/45/29/993614529.db2.gz KDDIGTPKIDEEQF-LJQANCHMSA-N 0 1 392.858 3.826 20 10 GHCDMN COc1cc(C)c(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c(O)c1 ZINC001599391355 997042517 /nfs/dbraw/zinc/04/25/17/997042517.db2.gz SAGCCBZEXKCVDI-ZWKOTPCHSA-N 0 1 375.852 3.663 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1O ZINC001599420559 997586960 /nfs/dbraw/zinc/58/69/60/997586960.db2.gz LHOWPKDQKOKBLN-SNVBAGLBSA-N 0 1 382.869 3.589 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NC3[C@H](C)CCC[C@H]3C)cc2F)CC1 ZINC001226824133 1032144843 /nfs/dbraw/zinc/14/48/43/1032144843.db2.gz FYQCEJOBFWQGBX-IAGOWNOFSA-N 0 1 390.547 3.592 20 10 GHCDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3c(O)cccc3F)cc2)C1 ZINC001220879571 1032168998 /nfs/dbraw/zinc/16/89/98/1032168998.db2.gz CODSNXHCCZIALT-MRXNPFEDSA-N 0 1 385.483 3.763 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2cccnc2Cl)c1O ZINC001227493440 1032439673 /nfs/dbraw/zinc/43/96/73/1032439673.db2.gz GRVAWSTVBDJZJX-VIFPVBQESA-N 0 1 399.852 3.996 20 10 GHCDMN CCC(=O)[C@@H](CC)Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227657964 1032506495 /nfs/dbraw/zinc/50/64/95/1032506495.db2.gz HVHCFYXNAYTQTJ-CQSZACIVSA-N 0 1 398.367 3.946 20 10 GHCDMN CC[C@H](COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12)OC ZINC001227658613 1032507333 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AVSQMFJEPLPCGZ-FQEVSTJZSA-N 0 1 392.833 3.953 20 10 GHCDMN O=C1C[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CN1c1ccc(F)c(F)c1 ZINC001140343965 1021458109 /nfs/dbraw/zinc/45/81/09/1021458109.db2.gz AVSQMFJEPLPCGZ-FQEVSTJZSA-N 0 1 392.833 3.953 20 10 GHCDMN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3c([O-])cc(F)cc3F)C1)C2 ZINC001140584619 1022008072 /nfs/dbraw/zinc/00/80/72/1022008072.db2.gz ZIOITXKLBOSMIC-IVZQSRNASA-N 0 1 387.426 3.766 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN(Cc4ccsc4)CC3)cc2)CC1 ZINC000827276458 1022020865 /nfs/dbraw/zinc/02/08/65/1022020865.db2.gz IRVCDSOCJSIRAQ-UHFFFAOYSA-N 0 1 385.577 3.681 20 10 GHCDMN C[C@H](c1ccccc1)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663480 1022204891 /nfs/dbraw/zinc/20/48/91/1022204891.db2.gz GJANPTARNPRZJR-LJQANCHMSA-N 0 1 383.511 3.541 20 10 GHCDMN COc1cc(OC)cc(OCCC[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000754021735 1022430301 /nfs/dbraw/zinc/43/03/01/1022430301.db2.gz UUPIXZFVBGEARK-UHFFFAOYSA-N 0 1 382.460 3.859 20 10 GHCDMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000754021735 1022430315 /nfs/dbraw/zinc/43/03/15/1022430315.db2.gz UUPIXZFVBGEARK-UHFFFAOYSA-N 0 1 382.460 3.859 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)c2csnn2)C1 ZINC000836092920 1022629952 /nfs/dbraw/zinc/62/99/52/1022629952.db2.gz BHNBHRZXLVGXSY-AWEZNQCLSA-N 0 1 384.505 3.564 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Br)cc(F)c1O ZINC001204807422 1033099474 /nfs/dbraw/zinc/09/94/74/1033099474.db2.gz KQMANRUIZKYWDM-OAHLLOKOSA-N 0 1 382.229 3.640 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756460805 1023663801 /nfs/dbraw/zinc/66/38/01/1023663801.db2.gz TUZXAJUUCQKCSG-OCCSQVGLSA-N 0 1 382.273 3.796 20 10 GHCDMN COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000756479331 1023678161 /nfs/dbraw/zinc/67/81/61/1023678161.db2.gz MCSKXUXFMSHQQR-MRXNPFEDSA-N 0 1 389.927 3.527 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4[nH]cc(Cl)c43)cc2)CC1 ZINC001156651045 1033155072 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0 1 384.854 3.562 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC2(CC2(F)F)C1 ZINC000830544415 1023977781 /nfs/dbraw/zinc/97/77/81/1023977781.db2.gz PNKJGCJCKMZQSK-NSWWBONSSA-N 0 1 384.854 3.562 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001138127304 1024173437 /nfs/dbraw/zinc/17/34/37/1024173437.db2.gz WKAWHWOECXLKJO-JOCHJYFZSA-N 0 1 388.458 3.789 20 10 GHCDMN COCCC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001138127459 1024175746 /nfs/dbraw/zinc/17/57/46/1024175746.db2.gz COAXPSRJPZFSSJ-QGZVFWFLSA-N 0 1 396.503 3.769 20 10 GHCDMN Cc1cc(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c(C)n1-c1ccccc1C ZINC000837188664 1024208429 /nfs/dbraw/zinc/20/84/29/1024208429.db2.gz LERGYNKXUKCEIU-UHFFFAOYSA-N 0 1 379.464 3.600 20 10 GHCDMN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000830903402 1024232132 /nfs/dbraw/zinc/23/21/32/1024232132.db2.gz HSWBOUPTNINRAM-UHFFFAOYSA-N 0 1 375.396 3.764 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@H]3[C@H](CN3C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138391070 1024768292 /nfs/dbraw/zinc/76/82/92/1024768292.db2.gz BLHDBAFTXWUCQZ-HKUYNNGSSA-N 0 1 389.540 3.593 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001141375172 1024768473 /nfs/dbraw/zinc/76/84/73/1024768473.db2.gz YGFXYKWCTSHPAK-UHFFFAOYSA-N 0 1 397.700 3.836 20 10 GHCDMN COc1ccc2[nH]cc(CN3CCN(c4ccc(OC)cc4OC)CC3)c2c1 ZINC001138513106 1024951159 /nfs/dbraw/zinc/95/11/59/1024951159.db2.gz XACGVWZWDPQIID-UHFFFAOYSA-N 0 1 381.476 3.516 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4cc(OC)ccc34)CC2)cc1 ZINC001138591703 1025075383 /nfs/dbraw/zinc/07/53/83/1025075383.db2.gz FOYGWBVRDJVQJA-UHFFFAOYSA-N 0 1 395.503 3.524 20 10 GHCDMN CC(=O)NC[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)CC(C)C ZINC000832060038 1025192818 /nfs/dbraw/zinc/19/28/18/1025192818.db2.gz WIEBQZNQXSTONA-LBPRGKRZSA-N 0 1 375.296 3.504 20 10 GHCDMN COc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c(C)c1 ZINC001138884975 1025525909 /nfs/dbraw/zinc/52/59/09/1025525909.db2.gz WHCJASICQCSLKM-UHFFFAOYSA-N 0 1 380.467 3.855 20 10 GHCDMN COc1cc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1F ZINC000839145778 1025640739 /nfs/dbraw/zinc/64/07/39/1025640739.db2.gz TTYMCZFFQJIGPM-ZDUSSCGKSA-N 0 1 380.410 3.800 20 10 GHCDMN Fc1cc(CNCc2cnc(C3CCC3)s2)cc(F)c1N1CCOCC1 ZINC000839146299 1025642053 /nfs/dbraw/zinc/64/20/53/1025642053.db2.gz BTDJHYLSRDFNSX-UHFFFAOYSA-N 0 1 379.476 3.815 20 10 GHCDMN CCOc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OCC)c1 ZINC001138978202 1025705860 /nfs/dbraw/zinc/70/58/60/1025705860.db2.gz RSBFHWFHHLEAKN-UHFFFAOYSA-N 0 1 384.520 3.953 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN(Cc1cccnc1)Cc1ccccn1 ZINC001139127598 1025940010 /nfs/dbraw/zinc/94/00/10/1025940010.db2.gz LNMKAESGQMKRPR-UHFFFAOYSA-N 0 1 387.439 3.799 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)c1 ZINC001163929142 1026363720 /nfs/dbraw/zinc/36/37/20/1026363720.db2.gz HPMIWPVWLWQWMD-OAQYLSRUSA-N 0 1 381.520 3.709 20 10 GHCDMN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c([O-])cccc1Br ZINC001461110275 1069394672 /nfs/dbraw/zinc/39/46/72/1069394672.db2.gz CMDZMJCOSWPHKX-LBPRGKRZSA-N 0 1 378.266 3.994 20 10 GHCDMN CC(C)(C)OC(=O)NCCC1C[NH+](Cc2c([O-])cccc2Br)C1 ZINC001140101045 1026879643 /nfs/dbraw/zinc/87/96/43/1026879643.db2.gz HSEXNGSUMPNPLU-UHFFFAOYSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NCCC1CN(Cc2c(O)cccc2Br)C1 ZINC001140101045 1026879651 /nfs/dbraw/zinc/87/96/51/1026879651.db2.gz HSEXNGSUMPNPLU-UHFFFAOYSA-N 0 1 385.302 3.501 20 10 GHCDMN Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140101968 1026880956 /nfs/dbraw/zinc/88/09/56/1026880956.db2.gz GAKCYYPFJGAPCP-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140101968 1026880966 /nfs/dbraw/zinc/88/09/66/1026880966.db2.gz GAKCYYPFJGAPCP-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN COc1cccnc1O[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140102538 1026882775 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C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203639353 1027498189 /nfs/dbraw/zinc/49/81/89/1027498189.db2.gz BTNQFBPPXNEGQY-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203639353 1027498194 /nfs/dbraw/zinc/49/81/94/1027498194.db2.gz BTNQFBPPXNEGQY-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203656355 1027511209 /nfs/dbraw/zinc/51/12/09/1027511209.db2.gz OAVGHIAZADQPLA-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203656355 1027511215 /nfs/dbraw/zinc/51/12/15/1027511215.db2.gz OAVGHIAZADQPLA-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001203658418 1027514138 /nfs/dbraw/zinc/51/41/38/1027514138.db2.gz LQFNKSMMVJFCKP-LJQANCHMSA-N 0 1 388.895 3.781 20 10 GHCDMN Cc1c([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cnn1C(C)(C)C 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GHCDMN CN(CC[N@@H+](C)Cc1ccccc1)Cc1c([O-])cc(Br)cc1F ZINC001233029671 1038779831 /nfs/dbraw/zinc/77/98/31/1038779831.db2.gz GUOLPWPNKPAKDX-UHFFFAOYSA-N 0 1 381.289 3.858 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2c([O-])cc(Br)cc2F)cc(OC)c1 ZINC001233031112 1038784422 /nfs/dbraw/zinc/78/44/22/1038784422.db2.gz VZVAFMXMURBTBM-UHFFFAOYSA-N 0 1 384.245 3.943 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001233110385 1038900744 /nfs/dbraw/zinc/90/07/44/1038900744.db2.gz CTKCZFXQLCZXMS-UKRRQHHQSA-N 0 1 397.313 3.514 20 10 GHCDMN CCC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001233110125 1038900983 /nfs/dbraw/zinc/90/09/83/1038900983.db2.gz UTXAPIYWUATYSI-UHFFFAOYSA-N 0 1 383.330 3.686 20 10 GHCDMN CCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CCN(C(C)=O)CC1 ZINC001233110125 1038900985 /nfs/dbraw/zinc/90/09/85/1038900985.db2.gz UTXAPIYWUATYSI-UHFFFAOYSA-N 0 1 383.330 3.686 20 10 GHCDMN Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111523 1038902088 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3.944 20 10 GHCDMN Cc1ccc(OCCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC001438888213 1064133551 /nfs/dbraw/zinc/13/35/51/1064133551.db2.gz STSCTRILLINLSL-UHFFFAOYSA-N 0 1 395.547 3.531 20 10 GHCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3c[nH]nc32)cc1 ZINC001300092990 1065253100 /nfs/dbraw/zinc/25/31/00/1065253100.db2.gz VXMXJVXIDCSRKD-UHFFFAOYSA-N 0 1 376.382 3.834 20 10 GHCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000847480564 1065403677 /nfs/dbraw/zinc/40/36/77/1065403677.db2.gz OOLINBDPXABWKU-QGZVFWFLSA-N 0 1 392.503 3.896 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001468203172 1067630399 /nfs/dbraw/zinc/63/03/99/1067630399.db2.gz IAYVUPJYYXEJDV-UHFFFAOYSA-N 0 1 387.911 3.757 20 10 GHCDMN Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001468374511 1067709241 /nfs/dbraw/zinc/70/92/41/1067709241.db2.gz RZCYOXYYHIWHNC-UHFFFAOYSA-N 0 1 394.563 3.524 20 10 GHCDMN O=C(CN1CC[C@@H](C2OCCO2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001460788937 1069179061 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20 10 GHCDMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001474735646 1074539142 /nfs/dbraw/zinc/53/91/42/1074539142.db2.gz BIQDHCRWWGOWPA-ZDUSSCGKSA-N 0 1 376.403 3.530 20 10 GHCDMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000739657103 600705008 /nfs/dbraw/zinc/70/50/08/600705008.db2.gz BHZWZJYHVOMTIC-CYBMUJFWSA-N 0 1 396.306 3.700 20 10 GHCDMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255135403 838305714 /nfs/dbraw/zinc/30/57/14/838305714.db2.gz XNTHECRSMWKTPE-KRWDZBQOSA-N 0 1 380.496 3.859 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000066697548 838316769 /nfs/dbraw/zinc/31/67/69/838316769.db2.gz LOTIDLORISPVKZ-HXUWFJFHSA-N 0 1 385.508 3.625 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181577591 838843867 /nfs/dbraw/zinc/84/38/67/838843867.db2.gz NSSCVKMUJJALSR-INIZCTEOSA-N 0 1 399.510 3.648 20 10 GHCDMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000134269538 839816627 /nfs/dbraw/zinc/81/66/27/839816627.db2.gz YMVLKNZQYBEAFF-HNAYVOBHSA-N 0 1 387.911 3.715 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(Cl)c4cccc(F)c43)cc2)CC1 ZINC001167426903 839930438 /nfs/dbraw/zinc/93/04/38/839930438.db2.gz NUWZGOSXQOUGBK-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(Cl)nc(-c4cccnc4)n3)cc2)CC1 ZINC001167431293 840048383 /nfs/dbraw/zinc/04/83/83/840048383.db2.gz QICYONOPHNFXDT-UHFFFAOYSA-N 0 1 394.910 3.556 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(F)c(OC(F)F)c(F)c3)cc2)CC1 ZINC001167434266 840172482 /nfs/dbraw/zinc/17/24/82/840172482.db2.gz FOGGQOLSDZWESH-UHFFFAOYSA-N 0 1 383.389 3.930 20 10 GHCDMN COC(=O)CCCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167437159 840355355 /nfs/dbraw/zinc/35/53/55/840355355.db2.gz NLUMRHPIWZIRAK-UHFFFAOYSA-N 0 1 381.520 3.546 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000756770889 842217574 /nfs/dbraw/zinc/21/75/74/842217574.db2.gz YHDIZWCRIBELTB-VXGBXAGGSA-N 0 1 387.318 3.966 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 ZINC000108089945 843492610 /nfs/dbraw/zinc/49/26/10/843492610.db2.gz YGXFAGVSARPFJT-RTBURBONSA-N 0 1 393.531 3.574 20 10 GHCDMN CC1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1c1cccc(Cl)c1 ZINC000433085288 845227211 /nfs/dbraw/zinc/22/72/11/845227211.db2.gz UGHBWQCQWCLTHW-UHFFFAOYSA-N 0 1 395.875 3.545 20 10 GHCDMN CCn1nc(C)c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C ZINC000105420415 845989526 /nfs/dbraw/zinc/98/95/26/845989526.db2.gz SBFUKGPCKDECKR-UHFFFAOYSA-N 0 1 396.457 3.665 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131232897 861848412 /nfs/dbraw/zinc/84/84/12/861848412.db2.gz KEOHJVUJVXHEEP-LBPRGKRZSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000131232897 861848429 /nfs/dbraw/zinc/84/84/29/861848429.db2.gz KEOHJVUJVXHEEP-LBPRGKRZSA-N 0 1 378.822 3.668 20 10 GHCDMN O=C([C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)N1CCCC1 ZINC000732188208 862114658 /nfs/dbraw/zinc/11/46/58/862114658.db2.gz BAKLWHCFSHQXAF-INIZCTEOSA-N 0 1 382.504 3.852 20 10 GHCDMN O=C([C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)N1CCCC1 ZINC000732188208 862114661 /nfs/dbraw/zinc/11/46/61/862114661.db2.gz BAKLWHCFSHQXAF-INIZCTEOSA-N 0 1 382.504 3.852 20 10 GHCDMN CCOCCC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000435915290 850984321 /nfs/dbraw/zinc/98/43/21/850984321.db2.gz FNGYJAWWXHLJAV-UHFFFAOYSA-N 0 1 397.563 3.731 20 10 GHCDMN COCCC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436027923 851116020 /nfs/dbraw/zinc/11/60/20/851116020.db2.gz NMMBAPFMJMHJRV-UHFFFAOYSA-N 0 1 385.552 3.587 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706822212 857927811 /nfs/dbraw/zinc/92/78/11/857927811.db2.gz ZEKOJPSASDFJFM-STQMWFEESA-N 0 1 399.329 3.938 20 10 GHCDMN CC(C)[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227121742 858444979 /nfs/dbraw/zinc/44/49/79/858444979.db2.gz YANXGKMCSJSGGL-AWEZNQCLSA-N 0 1 387.318 3.794 20 10 GHCDMN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)ccc1S(=O)(=O)C(F)F ZINC000160547238 858998990 /nfs/dbraw/zinc/99/89/90/858998990.db2.gz FZQQJYKZAVKTFF-CYBMUJFWSA-N 0 1 398.475 3.608 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761194715 859049417 /nfs/dbraw/zinc/04/94/17/859049417.db2.gz GASZMDBUYFRTPI-OAHLLOKOSA-N 0 1 384.904 3.886 20 10 GHCDMN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(Cl)cc(OC)c1O ZINC000761198133 859063451 /nfs/dbraw/zinc/06/34/51/859063451.db2.gz IFOIQSUUKCUMSX-UHFFFAOYSA-N 0 1 399.821 3.898 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1Cl ZINC000765977914 859126749 /nfs/dbraw/zinc/12/67/49/859126749.db2.gz KKTBRPGWWPVGJR-CQSZACIVSA-N 0 1 396.915 3.565 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(F)ccc1F ZINC000765245992 859863875 /nfs/dbraw/zinc/86/38/75/859863875.db2.gz QLLLBOVOTIQEPH-KKSFZXQISA-N 0 1 387.474 3.907 20 10 GHCDMN COc1ccc(N2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC001170351501 881491186 /nfs/dbraw/zinc/49/11/86/881491186.db2.gz CSAYSXRUOJXLRJ-QGZVFWFLSA-N 0 1 399.491 3.674 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3C)cc2F)CC1 ZINC000730132237 860873095 /nfs/dbraw/zinc/87/30/95/860873095.db2.gz AIIBIJPTRRUQQJ-UHFFFAOYSA-N 0 1 388.462 3.737 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000730134312 860873468 /nfs/dbraw/zinc/87/34/68/860873468.db2.gz XUCBHQNPYXVFAB-PKOBYXMFSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc(C)cc3)cc2F)CC1 ZINC000730119239 860884301 /nfs/dbraw/zinc/88/43/01/860884301.db2.gz HSAQTJKGOFAQEL-SFHVURJKSA-N 0 1 398.526 3.836 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000733800499 863191821 /nfs/dbraw/zinc/19/18/21/863191821.db2.gz WDERJVJABQVVTD-OAHLLOKOSA-N 0 1 384.785 3.960 20 10 GHCDMN O=c1ccccn1C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000800313132 863306803 /nfs/dbraw/zinc/30/68/03/863306803.db2.gz FNAYHNWWWPBHGD-SFHVURJKSA-N 0 1 399.288 3.848 20 10 GHCDMN COCC1(C)CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444273517 863795074 /nfs/dbraw/zinc/79/50/74/863795074.db2.gz QBEJOKUIADBSMO-UHFFFAOYSA-N 0 1 397.563 3.683 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCc4ccccc43)cc2F)CC1 ZINC000734392583 864210450 /nfs/dbraw/zinc/21/04/50/864210450.db2.gz ONNKSLKNVXGVHW-HXUWFJFHSA-N 0 1 395.522 3.704 20 10 GHCDMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1c(C)c2ccccc2n1C ZINC000475206792 864572950 /nfs/dbraw/zinc/57/29/50/864572950.db2.gz OITCVGVACPEFNS-UHFFFAOYSA-N 0 1 380.414 3.760 20 10 GHCDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000736946921 865334185 /nfs/dbraw/zinc/33/41/85/865334185.db2.gz XEGHTQGJWPUXFT-KRWDZBQOSA-N 0 1 387.955 3.927 20 10 GHCDMN CCN(CC)c1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000063824313 865442390 /nfs/dbraw/zinc/44/23/90/865442390.db2.gz FFXPPYUXVSFGFZ-JXAWBTAJSA-N 0 1 389.590 3.828 20 10 GHCDMN C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1[O-] ZINC000185213592 865780642 /nfs/dbraw/zinc/78/06/42/865780642.db2.gz HKGZYIKIDRTGSQ-GOSISDBHSA-N 0 1 389.499 3.545 20 10 GHCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000183129497 866245569 /nfs/dbraw/zinc/24/55/69/866245569.db2.gz VPLFWAQTKRYZDM-LSWJPFSZSA-N 0 1 383.488 3.740 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000741678103 866716713 /nfs/dbraw/zinc/71/67/13/866716713.db2.gz JNEXYCVTQJDATF-GOSISDBHSA-N 0 1 383.536 3.678 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000793191437 882007519 /nfs/dbraw/zinc/00/75/19/882007519.db2.gz KQASRUCEGBALGL-WFASDCNBSA-N 0 1 384.364 3.907 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000793191434 882007838 /nfs/dbraw/zinc/00/78/38/882007838.db2.gz KQASRUCEGBALGL-IUODEOHRSA-N 0 1 384.364 3.907 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(-c4ccc(C)o4)n[nH]3)ccc21 ZINC000479475114 867835097 /nfs/dbraw/zinc/83/50/97/867835097.db2.gz LBMPQDMWBKFYNY-UHFFFAOYSA-N 0 1 393.447 3.843 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000743390073 868145810 /nfs/dbraw/zinc/14/58/10/868145810.db2.gz NZHRNNBOKVKAQI-JOCHJYFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000743390073 868145820 /nfs/dbraw/zinc/14/58/20/868145820.db2.gz NZHRNNBOKVKAQI-JOCHJYFZSA-N 0 1 398.478 3.513 20 10 GHCDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3c(F)ccc(O)c3[O-])sc2c1)C1CC1 ZINC000857309544 882193547 /nfs/dbraw/zinc/19/35/47/882193547.db2.gz OOZWWYICHIOBCE-UHFFFAOYSA-N 0 1 387.436 3.693 20 10 GHCDMN Cc1ccc(C)c(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857472852 882285817 /nfs/dbraw/zinc/28/58/17/882285817.db2.gz OVIOKPKHHJDOSU-HXUWFJFHSA-N 0 1 386.923 3.986 20 10 GHCDMN Cc1ccc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000857472852 882285825 /nfs/dbraw/zinc/28/58/25/882285825.db2.gz OVIOKPKHHJDOSU-HXUWFJFHSA-N 0 1 386.923 3.986 20 10 GHCDMN Cc1ccc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000857472852 882285834 /nfs/dbraw/zinc/28/58/34/882285834.db2.gz OVIOKPKHHJDOSU-HXUWFJFHSA-N 0 1 386.923 3.986 20 10 GHCDMN Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857472046 882286104 /nfs/dbraw/zinc/28/61/04/882286104.db2.gz FLSLAKCCITVEEJ-QGZVFWFLSA-N 0 1 398.894 3.625 20 10 GHCDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000793612234 882330025 /nfs/dbraw/zinc/33/00/25/882330025.db2.gz SDIUFWOXIKHEAW-CXAGYDPISA-N 0 1 392.293 3.665 20 10 GHCDMN Cc1cc(Br)cc(CNCc2ccn(Cc3ccccc3)n2)c1O ZINC000793625961 882340657 /nfs/dbraw/zinc/34/06/57/882340657.db2.gz WUKNUJQEZQLBEP-UHFFFAOYSA-N 0 1 386.293 3.998 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000775581830 870973434 /nfs/dbraw/zinc/97/34/34/870973434.db2.gz RKVIBCHZGHEQTD-UPJWGTAASA-N 0 1 385.302 3.672 20 10 GHCDMN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193589097 871174529 /nfs/dbraw/zinc/17/45/29/871174529.db2.gz CRNCFKGURWUPCZ-NFTWOGHHSA-N 0 1 383.795 3.718 20 10 GHCDMN O=C(NCc1ccc(C2(C(F)(F)F)N=N2)cc1)c1cc(O)c(O)c(Cl)c1 ZINC001193634032 871200117 /nfs/dbraw/zinc/20/01/17/871200117.db2.gz QABWQIREDMVBBA-UHFFFAOYSA-N 0 1 385.729 3.862 20 10 GHCDMN C[C@H](Cc1ccccc1Br)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634277 871200633 /nfs/dbraw/zinc/20/06/33/871200633.db2.gz UHGTZOGBQNMQQO-SECBINFHSA-N 0 1 384.657 3.875 20 10 GHCDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193633891 871201272 /nfs/dbraw/zinc/20/12/72/871201272.db2.gz KCRAKNQODQMMCR-GOSISDBHSA-N 0 1 388.895 3.782 20 10 GHCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633887 872151310 /nfs/dbraw/zinc/15/13/10/872151310.db2.gz MSAXSCKSWIMQJP-LBPRGKRZSA-N 0 1 393.119 3.918 20 10 GHCDMN CCOC(=O)c1cn[nH]c1CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279302 872304073 /nfs/dbraw/zinc/30/40/73/872304073.db2.gz PEWXZNCNRQZVRX-WJTDDFOZSA-N 0 1 393.403 3.637 20 10 GHCDMN O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775674510 872712458 /nfs/dbraw/zinc/71/24/58/872712458.db2.gz GCUHLARYTIXFEW-UHFFFAOYSA-N 0 1 378.831 3.891 20 10 GHCDMN O=C(Oc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775674510 872712467 /nfs/dbraw/zinc/71/24/67/872712467.db2.gz GCUHLARYTIXFEW-UHFFFAOYSA-N 0 1 378.831 3.891 20 10 GHCDMN O=C(Oc1ccccc1)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775674510 872712476 /nfs/dbraw/zinc/71/24/76/872712476.db2.gz GCUHLARYTIXFEW-UHFFFAOYSA-N 0 1 378.831 3.891 20 10 GHCDMN CN1CCN(c2ccc(CN3CCO[C@@H](c4ccccc4Cl)C3)cc2)CC1 ZINC000775676299 872786811 /nfs/dbraw/zinc/78/68/11/872786811.db2.gz PTAAXWMJRVSILU-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN C[C@@H]1OCCN(Cc2cc(Br)cc(Br)c2O)[C@H]1C ZINC000775699261 872954335 /nfs/dbraw/zinc/95/43/35/872954335.db2.gz BYDLZYVOBUHFKC-IUCAKERBSA-N 0 1 379.092 3.526 20 10 GHCDMN O=C(Cc1ccccc1F)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000921187543 882676897 /nfs/dbraw/zinc/67/68/97/882676897.db2.gz JGRKUODFAVORGL-UHFFFAOYSA-N 0 1 378.447 3.571 20 10 GHCDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768203942 873139392 /nfs/dbraw/zinc/13/93/92/873139392.db2.gz LPPPRAIXPMCEPF-UHFFFAOYSA-N 0 1 380.828 3.993 20 10 GHCDMN COc1cccc(O)c1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000768219307 873172630 /nfs/dbraw/zinc/17/26/30/873172630.db2.gz VMNIXVWPCLTBND-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000775732766 873278759 /nfs/dbraw/zinc/27/87/59/873278759.db2.gz QCDXCCHXZVAMRL-UHFFFAOYSA-N 0 1 377.868 3.672 20 10 GHCDMN Oc1cc2c(cc1CN(Cc1csc(Br)c1)C1CC1)[C@@H](O)CO2 ZINC000768464032 873328568 /nfs/dbraw/zinc/32/85/68/873328568.db2.gz ZBKVLWYMIANEBT-HNNXBMFYSA-N 0 1 396.306 3.807 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccncc3)cs2)c(C)c1 ZINC001196843250 873400786 /nfs/dbraw/zinc/40/07/86/873400786.db2.gz QPBVLRMTWLZYPF-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(Br)cc1[O-] ZINC000528003680 873872575 /nfs/dbraw/zinc/87/25/75/873872575.db2.gz LLVSYVKTNDVTKA-BZNIZROVSA-N 0 1 375.266 3.632 20 10 GHCDMN COc1cc(OC)cc(N2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)c1 ZINC000769544631 874149207 /nfs/dbraw/zinc/14/92/07/874149207.db2.gz ZKWPEGQAZKCOSO-UHFFFAOYSA-N 0 1 376.884 3.775 20 10 GHCDMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)c1 ZINC000769544631 874149214 /nfs/dbraw/zinc/14/92/14/874149214.db2.gz ZKWPEGQAZKCOSO-UHFFFAOYSA-N 0 1 376.884 3.775 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770385697 874669096 /nfs/dbraw/zinc/66/90/96/874669096.db2.gz JZRZAPWHKZWAPS-NWDGAFQWSA-N 0 1 399.875 3.689 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ccnc4cc(F)cnc43)cc2F)CC1 ZINC000804440617 882879468 /nfs/dbraw/zinc/87/94/68/882879468.db2.gz ISTCVUVHKABQHX-UHFFFAOYSA-N 0 1 383.446 3.662 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([O-])c(Cl)c1 ZINC000771058889 875015787 /nfs/dbraw/zinc/01/57/87/875015787.db2.gz ONLPPVVAXMVGPQ-HNNXBMFYSA-N 0 1 395.286 3.799 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000771144837 875072732 /nfs/dbraw/zinc/07/27/32/875072732.db2.gz RTKAHRGTWRDPQC-UHFFFAOYSA-N 0 1 382.688 3.979 20 10 GHCDMN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771521087 875309442 /nfs/dbraw/zinc/30/94/42/875309442.db2.gz QBGCMJJVLNTHEO-QFIPXVFZSA-N 0 1 378.520 3.661 20 10 GHCDMN COc1ccc(N2CC[C@@H](C[NH2+]Cc3c([O-])cccc3Br)C2)cc1 ZINC000858182835 882916943 /nfs/dbraw/zinc/91/69/43/882916943.db2.gz JIXRXCUEOHUMQE-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN COc1ccc(N2CC[C@H](CNCc3ncc(Br)cc3F)C2)cc1 ZINC000858183034 882917859 /nfs/dbraw/zinc/91/78/59/882917859.db2.gz QRPVQYQBIGSSDQ-CYBMUJFWSA-N 0 1 394.288 3.608 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccccc3Cl)cc2F)CC1 ZINC000106702368 876238989 /nfs/dbraw/zinc/23/89/89/876238989.db2.gz ZHZOKODWNKGXLY-UHFFFAOYSA-N 0 1 375.875 3.551 20 10 GHCDMN CCOc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])c(F)cc1OC ZINC000529564890 876338557 /nfs/dbraw/zinc/33/85/57/876338557.db2.gz GGZAUGAGPMGOEH-UHFFFAOYSA-N 0 1 384.245 3.991 20 10 GHCDMN COc1ccc(N2CC[C@@H](NCc3cccc(O)c3Br)C2)cc1 ZINC000850347367 876839070 /nfs/dbraw/zinc/83/90/70/876839070.db2.gz QZHXYOCJBFFGML-CQSZACIVSA-N 0 1 377.282 3.532 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccc(Br)cc3F)cc2)CC1 ZINC000850404711 876885499 /nfs/dbraw/zinc/88/54/99/876885499.db2.gz DWVLQFZDDBTMFW-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccc(Br)c3F)cc2)CC1 ZINC000850406645 876888241 /nfs/dbraw/zinc/88/82/41/876888241.db2.gz OKYWEJRVNRBXLS-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000850541191 877009222 /nfs/dbraw/zinc/00/92/22/877009222.db2.gz SRYGYAJZEZFVDG-RVSPLBMKSA-N 0 1 378.314 3.950 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000850567995 877036447 /nfs/dbraw/zinc/03/64/47/877036447.db2.gz NPHMNXDQOPAEAR-SFHVURJKSA-N 0 1 390.531 3.899 20 10 GHCDMN Cc1cc(Br)cc(CN2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC001183105119 912288961 /nfs/dbraw/zinc/28/89/61/912288961.db2.gz YPPVZYQPVHBGBX-UHFFFAOYSA-N 0 1 378.314 3.781 20 10 GHCDMN COC1CCN(c2ccc(CN(C)[C@@H](c3nnc[nH]3)c3ccccc3)cc2)CC1 ZINC000852152473 878105444 /nfs/dbraw/zinc/10/54/44/878105444.db2.gz XYGJHIHNEZWOBN-JOCHJYFZSA-N 0 1 391.519 3.641 20 10 GHCDMN COc1ccc(-c2csc(NC(=O)c3c(F)ccc(O)c3O)n2)cc1OC ZINC000790069865 879415220 /nfs/dbraw/zinc/41/52/20/879415220.db2.gz FHHAUTLAIXSTHW-UHFFFAOYSA-N 0 1 390.392 3.630 20 10 GHCDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1OC ZINC000790345680 879615147 /nfs/dbraw/zinc/61/51/47/879615147.db2.gz ASZMWBVKXWTPOA-UHFFFAOYSA-N 0 1 378.233 3.517 20 10 GHCDMN CC1(C)C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC000783729494 883417658 /nfs/dbraw/zinc/41/76/58/883417658.db2.gz NLSCKBBZCFFAPZ-GFCCVEGCSA-N 0 1 393.119 3.510 20 10 GHCDMN CC1(C)C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1O ZINC000783729494 883417669 /nfs/dbraw/zinc/41/76/69/883417669.db2.gz NLSCKBBZCFFAPZ-GFCCVEGCSA-N 0 1 393.119 3.510 20 10 GHCDMN COc1ccc(O[C@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805159636 883637717 /nfs/dbraw/zinc/63/77/17/883637717.db2.gz LVJNAIJBSZTBLN-LLVKDONJSA-N 0 1 399.274 3.974 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[nH]c2c(C)cccc2c1=O ZINC001183705865 912747080 /nfs/dbraw/zinc/74/70/80/912747080.db2.gz BSSSGTBRRKOZRB-INIZCTEOSA-N 0 1 377.488 3.572 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCc2ccccc2OC1 ZINC000805461146 883839138 /nfs/dbraw/zinc/83/91/38/883839138.db2.gz XLWHZOCPRMLFHQ-AWEZNQCLSA-N 0 1 381.259 3.892 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677406 912776624 /nfs/dbraw/zinc/77/66/24/912776624.db2.gz DFAFIOONYJLMAY-GJZGRUSLSA-N 0 1 387.476 3.560 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677406 912776635 /nfs/dbraw/zinc/77/66/35/912776635.db2.gz DFAFIOONYJLMAY-GJZGRUSLSA-N 0 1 387.476 3.560 20 10 GHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(F)cncc1F ZINC000805863011 884156963 /nfs/dbraw/zinc/15/69/63/884156963.db2.gz PKRIYFQABFLYBA-SSDOTTSWSA-N 0 1 376.190 3.933 20 10 GHCDMN Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000807512664 885498068 /nfs/dbraw/zinc/49/80/68/885498068.db2.gz CNKXLPLHKQCEIP-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000807837258 885802270 /nfs/dbraw/zinc/80/22/70/885802270.db2.gz JAHWKGBQZNVRGA-KGLIPLIRSA-N 0 1 394.254 3.890 20 10 GHCDMN O=C(CCCOc1ccc2c(c1)OCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000807839667 885806037 /nfs/dbraw/zinc/80/60/37/885806037.db2.gz IZRGLYGSAGCRCA-UHFFFAOYSA-N 0 1 398.242 3.903 20 10 GHCDMN NC(=O)c1ncc(Br)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000808086283 886008091 /nfs/dbraw/zinc/00/80/91/886008091.db2.gz AAXHJBCZQSCOEB-UHFFFAOYSA-N 0 1 391.052 3.568 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(F)cc1Br ZINC000808115529 886025727 /nfs/dbraw/zinc/02/57/27/886025727.db2.gz HSFRLPJCFBECQT-UHFFFAOYSA-N 0 1 398.612 3.887 20 10 GHCDMN Cc1nc2sccn2c(=O)c1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000795911558 913009204 /nfs/dbraw/zinc/00/92/04/913009204.db2.gz LOXIBJHKFURWLI-UHFFFAOYSA-N 0 1 383.517 3.757 20 10 GHCDMN Cc1nc2sccn2c(=O)c1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000795911558 913009222 /nfs/dbraw/zinc/00/92/22/913009222.db2.gz LOXIBJHKFURWLI-UHFFFAOYSA-N 0 1 383.517 3.757 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000808231544 886161644 /nfs/dbraw/zinc/16/16/44/886161644.db2.gz JWJFLLQLMFSDBF-UHFFFAOYSA-N 0 1 376.485 3.872 20 10 GHCDMN CN(C)c1cc(F)c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000862215573 886213243 /nfs/dbraw/zinc/21/32/43/886213243.db2.gz QPXLMBABQLMJSG-HNNXBMFYSA-N 0 1 389.494 3.728 20 10 GHCDMN CN(Cc1cc2c(cc1O)OCO2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119072845 886579973 /nfs/dbraw/zinc/57/99/73/886579973.db2.gz POQYPUQUSHPPTD-YJBOKZPZSA-N 0 1 382.243 3.518 20 10 GHCDMN COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809712585 887732262 /nfs/dbraw/zinc/73/22/62/887732262.db2.gz AQJKOQPMKXLRIC-LBPRGKRZSA-N 0 1 393.281 3.670 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000809768484 887757124 /nfs/dbraw/zinc/75/71/24/887757124.db2.gz MZVYPBPVUCXMMD-SWLSCSKDSA-N 0 1 394.880 3.955 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809791125 887846276 /nfs/dbraw/zinc/84/62/76/887846276.db2.gz UXXUDZOZHUZXSU-IBGZPJMESA-N 0 1 394.284 3.721 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218524 888296826 /nfs/dbraw/zinc/29/68/26/888296826.db2.gz AVOMEJLGIBSCIR-YOEHRIQHSA-N 0 1 382.430 3.854 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239052 888337988 /nfs/dbraw/zinc/33/79/88/888337988.db2.gz RCKZYDHJULVUES-MRXNPFEDSA-N 0 1 380.414 3.911 20 10 GHCDMN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Br)cc1[O-] ZINC000810248414 888350115 /nfs/dbraw/zinc/35/01/15/888350115.db2.gz USTDOQQQVWLOBA-IRWQIABSSA-N 0 1 376.294 3.972 20 10 GHCDMN Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)n1-c1ccccn1 ZINC000916093950 888698088 /nfs/dbraw/zinc/69/80/88/888698088.db2.gz AMLXAVIWODTUJO-IBGZPJMESA-N 0 1 378.476 3.649 20 10 GHCDMN C[C@@H](NCc1ccc(Br)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866567306 888941465 /nfs/dbraw/zinc/94/14/65/888941465.db2.gz OKMSMTXYVROZOO-CYBMUJFWSA-N 0 1 394.288 3.671 20 10 GHCDMN Cc1ncccc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000810884472 888993783 /nfs/dbraw/zinc/99/37/83/888993783.db2.gz OXAWUSJNJCKHAV-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1)C(F)(F)F ZINC000811514096 889708235 /nfs/dbraw/zinc/70/82/35/889708235.db2.gz BOIJIUHJYBEHFF-HNNXBMFYSA-N 0 1 392.421 3.950 20 10 GHCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1)C(F)(F)F ZINC000811514096 889708242 /nfs/dbraw/zinc/70/82/42/889708242.db2.gz BOIJIUHJYBEHFF-HNNXBMFYSA-N 0 1 392.421 3.950 20 10 GHCDMN COc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1OC ZINC000916838442 890276833 /nfs/dbraw/zinc/27/68/33/890276833.db2.gz PEJHJNWNZJVSEK-UHFFFAOYSA-N 0 1 385.464 3.892 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cscc3C)cc2F)CC1 ZINC000123336730 890527433 /nfs/dbraw/zinc/52/74/33/890527433.db2.gz QHKPQMJPAYTLRK-UHFFFAOYSA-N 0 1 376.501 3.659 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1[O-] ZINC000812741086 890923630 /nfs/dbraw/zinc/92/36/30/890923630.db2.gz QIDQTGKXFGJCSU-DGCLKSJQSA-N 0 1 393.256 3.750 20 10 GHCDMN CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000795186577 890970741 /nfs/dbraw/zinc/97/07/41/890970741.db2.gz YHWJLWOVKXSPRG-SFHVURJKSA-N 0 1 394.943 3.579 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N(Cc3ccccc3)C(C)C)CC2)cc1 ZINC000917089688 891081170 /nfs/dbraw/zinc/08/11/70/891081170.db2.gz FKMLDGFNUKLIMI-UHFFFAOYSA-N 0 1 395.547 3.645 20 10 GHCDMN CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872119234 891164161 /nfs/dbraw/zinc/16/41/61/891164161.db2.gz OVTOXQUUYGGKTQ-ZBVLDHOZSA-N 0 1 391.455 3.808 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1F ZINC001212054866 891450332 /nfs/dbraw/zinc/45/03/32/891450332.db2.gz RMMYPRSJXLTPEQ-UHFFFAOYSA-N 0 1 384.643 3.970 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc4ccccc4n3)cc2F)C[C@@H](C)O1 ZINC000917435671 891996584 /nfs/dbraw/zinc/99/65/84/891996584.db2.gz OWQAAMWNSMAMPC-HZPDHXFCSA-N 0 1 380.467 3.672 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cc(Cl)ccn2)C1 ZINC000444822916 893743961 /nfs/dbraw/zinc/74/39/61/893743961.db2.gz NHAVCVVENYIJAG-UHFFFAOYSA-N 0 1 396.922 3.773 20 10 GHCDMN O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816500114 894878955 /nfs/dbraw/zinc/87/89/55/894878955.db2.gz KPBIZIVIJZYCKH-UHFFFAOYSA-N 0 1 385.467 3.985 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)c1 ZINC000816555381 894940057 /nfs/dbraw/zinc/94/00/57/894940057.db2.gz BRLIJPAEXXOXKM-GOSISDBHSA-N 0 1 378.472 3.931 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816665597 895009816 /nfs/dbraw/zinc/00/98/16/895009816.db2.gz NJFDUWXCKJXMQN-SNVBAGLBSA-N 0 1 393.119 3.512 20 10 GHCDMN CCCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1O ZINC000130733973 897201962 /nfs/dbraw/zinc/20/19/62/897201962.db2.gz QXKHIRPEJLLSGS-UHFFFAOYSA-N 0 1 392.883 3.914 20 10 GHCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000824593871 899709631 /nfs/dbraw/zinc/70/96/31/899709631.db2.gz SKIRVHKITFZRBR-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1[N+](=O)[O-] ZINC000824820237 899825952 /nfs/dbraw/zinc/82/59/52/899825952.db2.gz BSPQNGBDUULQND-CQSZACIVSA-N 0 1 387.392 3.597 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1Cl ZINC000825143240 900003839 /nfs/dbraw/zinc/00/38/39/900003839.db2.gz FORQEWKKOZZPEN-SFHVURJKSA-N 0 1 388.895 3.553 20 10 GHCDMN O=C(CCC[NH2+]Cc1ccc(Br)cc1[O-])N1Cc2ccccc2C1 ZINC000825291783 900074118 /nfs/dbraw/zinc/07/41/18/900074118.db2.gz POEZEJQRZKALLI-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN COc1cc(N2CCN(Cc3cc4ccncc4s3)CC2)cc(OC)c1OC ZINC000825513193 900207854 /nfs/dbraw/zinc/20/78/54/900207854.db2.gz DTEWJMRIAHJYNL-UHFFFAOYSA-N 0 1 399.516 3.644 20 10 GHCDMN C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207767 900602325 /nfs/dbraw/zinc/60/23/25/900602325.db2.gz FPHGIBWRIOVETE-VFADXPBXSA-N 0 1 399.422 3.715 20 10 GHCDMN C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844212908 900607166 /nfs/dbraw/zinc/60/71/66/900607166.db2.gz PNEMZNGAEAAXTG-VMSUTVGLSA-N 0 1 395.459 3.651 20 10 GHCDMN CC[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213305 900608612 /nfs/dbraw/zinc/60/86/12/900608612.db2.gz WPKWZEGUTGQRHR-JARZOMNASA-N 0 1 395.459 3.793 20 10 GHCDMN COc1cc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000775013232 914504253 /nfs/dbraw/zinc/50/42/53/914504253.db2.gz YNRYEGZKQHGMGV-KRWDZBQOSA-N 0 1 399.535 3.515 20 10 GHCDMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889124 901576042 /nfs/dbraw/zinc/57/60/42/901576042.db2.gz QIMVQQZCZGWPFA-SSINHNECSA-N 0 1 382.869 3.884 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001144298536 901646572 /nfs/dbraw/zinc/64/65/72/901646572.db2.gz FURCKQUHWJVEHR-CYBMUJFWSA-N 0 1 386.183 3.573 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001144299537 901648298 /nfs/dbraw/zinc/64/82/98/901648298.db2.gz ABAUXXXTYPUHIP-AWEZNQCLSA-N 0 1 381.245 3.732 20 10 GHCDMN Cc1cccnc1N1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300058 901652283 /nfs/dbraw/zinc/65/22/83/901652283.db2.gz QOVCADBVMUQEHH-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCO[C@H](COc2ccccc2)C1 ZINC001144306583 901685809 /nfs/dbraw/zinc/68/58/09/901685809.db2.gz HUDAFRBYXBRSTB-HNNXBMFYSA-N 0 1 396.256 3.574 20 10 GHCDMN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000123500751 901935631 /nfs/dbraw/zinc/93/56/31/901935631.db2.gz WYTUIJJBHWVFHS-UHFFFAOYSA-N 0 1 398.463 3.645 20 10 GHCDMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000846181576 902770105 /nfs/dbraw/zinc/77/01/05/902770105.db2.gz COEAMQCHEKRIGJ-GXZWQRSESA-N 0 1 376.447 3.574 20 10 GHCDMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000290592279 914746708 /nfs/dbraw/zinc/74/67/08/914746708.db2.gz XSPGLCUICRFBFW-UHFFFAOYSA-N 0 1 397.880 3.974 20 10 GHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000151561354 904156358 /nfs/dbraw/zinc/15/63/58/904156358.db2.gz WIGIPANLPFBWNY-KRWDZBQOSA-N 0 1 384.520 3.763 20 10 GHCDMN CCOc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)cc1 ZINC000775055847 914836388 /nfs/dbraw/zinc/83/63/88/914836388.db2.gz FZLXGDQNCWYKCH-UHFFFAOYSA-N 0 1 384.432 3.997 20 10 GHCDMN CCOc1ccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)cc1 ZINC000775055847 914836401 /nfs/dbraw/zinc/83/64/01/914836401.db2.gz FZLXGDQNCWYKCH-UHFFFAOYSA-N 0 1 384.432 3.997 20 10 GHCDMN Cc1ccc(OC(F)F)c(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000176900097 905981156 /nfs/dbraw/zinc/98/11/56/905981156.db2.gz PUUMSYXCEYQEQU-XNTDXEJSSA-N 0 1 398.500 3.892 20 10 GHCDMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])ccc2NC1=O ZINC000180033336 906670480 /nfs/dbraw/zinc/67/04/80/906670480.db2.gz LQFUDTGXRUJXHC-BBATYDOGSA-N 0 1 386.423 3.694 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000773492840 907516304 /nfs/dbraw/zinc/51/63/04/907516304.db2.gz OFZVHDKDOLAFRK-UHFFFAOYSA-N 0 1 380.448 3.511 20 10 GHCDMN CC(C)c1ccc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)[nH]c2c1 ZINC001176073307 907902062 /nfs/dbraw/zinc/90/20/62/907902062.db2.gz JSZODSCCLDYAPM-UHFFFAOYSA-N 0 1 390.531 3.973 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CC23CCOCC3)C1 ZINC000774139523 911405540 /nfs/dbraw/zinc/40/55/40/911405540.db2.gz MSWDPIZFCDIZBK-SFHVURJKSA-N 0 1 396.531 3.768 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1ccccc1C ZINC000774218525 911532660 /nfs/dbraw/zinc/53/26/60/911532660.db2.gz VBQYDQPTFIUZJP-MRXNPFEDSA-N 0 1 380.448 3.511 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)NCCN1CCc2ccccc2C1 ZINC000801980881 921718784 /nfs/dbraw/zinc/71/87/84/921718784.db2.gz CRIPIAXMFZRTEN-UHFFFAOYSA-N 0 1 381.520 3.762 20 10 GHCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093280841 912160900 /nfs/dbraw/zinc/16/09/00/912160900.db2.gz YIPJCOIAFIAJHM-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093280841 912160909 /nfs/dbraw/zinc/16/09/09/912160909.db2.gz YIPJCOIAFIAJHM-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000093280841 912160919 /nfs/dbraw/zinc/16/09/19/912160919.db2.gz YIPJCOIAFIAJHM-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN O=C(CC1CCCC1)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093321216 912199434 /nfs/dbraw/zinc/19/94/34/912199434.db2.gz OIKIBWZKADIBCV-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)CC3CCCC3)CC2)cc1 ZINC000303539698 914911723 /nfs/dbraw/zinc/91/17/23/914911723.db2.gz JIAWDEZFFGRSTA-LJQANCHMSA-N 0 1 387.568 3.540 20 10 GHCDMN CN(Cc1ccccc1O)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000303625333 915008700 /nfs/dbraw/zinc/00/87/00/915008700.db2.gz PXXWXPKCSLMFPD-INIZCTEOSA-N 0 1 380.366 3.528 20 10 GHCDMN CCN(C(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000097476962 915585440 /nfs/dbraw/zinc/58/54/40/915585440.db2.gz NGBPZTNINMEOOW-IBGZPJMESA-N 0 1 381.520 3.649 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@]3(CC3(F)F)C2)C1 ZINC000650915017 917341845 /nfs/dbraw/zinc/34/18/45/917341845.db2.gz NTFDGLJELMSZGH-NRFANRHFSA-N 0 1 387.474 3.666 20 10 GHCDMN O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1cc(Cl)cc(Cl)c1O ZINC001190977328 917679103 /nfs/dbraw/zinc/67/91/03/917679103.db2.gz YXQWPCQEDFUBJO-VIFPVBQESA-N 0 1 388.263 3.944 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775484311 918234795 /nfs/dbraw/zinc/23/47/95/918234795.db2.gz AZTHNSSRHKUGHH-SJORKVTESA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000775490841 918272730 /nfs/dbraw/zinc/27/27/30/918272730.db2.gz DTVBBHVISMGCKO-QGZVFWFLSA-N 0 1 382.913 3.537 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498367 918396229 /nfs/dbraw/zinc/39/62/29/918396229.db2.gz YPHNBWGJMYLAFW-GUYCJALGSA-N 0 1 391.309 3.900 20 10 GHCDMN C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1ccc(Br)cc1O ZINC000903342168 922942788 /nfs/dbraw/zinc/94/27/88/922942788.db2.gz XTNRIIQICVOAAR-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN C[C@@H](N[C@@H](C)c1cc(Br)ccc1O)c1nnc2n1CCCCC2 ZINC000371863720 924921557 /nfs/dbraw/zinc/92/15/57/924921557.db2.gz IPAIBKRXIRQQMG-NWDGAFQWSA-N 0 1 379.302 3.884 20 10 GHCDMN Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000726985126 926972930 /nfs/dbraw/zinc/97/29/30/926972930.db2.gz HJZVEAKHKKOTQJ-LJQANCHMSA-N 0 1 396.579 3.583 20 10 GHCDMN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c4c(ccc3[O-])oc3c4CCCC3)CC2)n1 ZINC000782859272 931354404 /nfs/dbraw/zinc/35/44/04/931354404.db2.gz BGWFAAZRINCDGZ-UHFFFAOYSA-N 0 1 396.447 3.959 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccnc(C2CC2)c1 ZINC000783590633 931590347 /nfs/dbraw/zinc/59/03/47/931590347.db2.gz VJAYUXMEVMLNGG-SFHVURJKSA-N 0 1 385.895 3.712 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(C2CC2)c1 ZINC000783590633 931590349 /nfs/dbraw/zinc/59/03/49/931590349.db2.gz VJAYUXMEVMLNGG-SFHVURJKSA-N 0 1 385.895 3.712 20 10 GHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000799738028 933105903 /nfs/dbraw/zinc/10/59/03/933105903.db2.gz RADDCKLJYHTKBL-BXKDBHETSA-N 0 1 393.119 3.917 20 10 GHCDMN CCCC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000829516150 935820742 /nfs/dbraw/zinc/82/07/42/935820742.db2.gz QKEPYBXIERBTGF-UHFFFAOYSA-N 0 1 382.460 3.612 20 10 GHCDMN Cc1cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001137859016 935829704 /nfs/dbraw/zinc/82/97/04/935829704.db2.gz FHCPOXLIZYELAQ-PZJWPPBQSA-N 0 1 399.535 3.554 20 10 GHCDMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(Br)cc(Br)c1O)C2 ZINC001203568064 1027438690 /nfs/dbraw/zinc/43/86/90/1027438690.db2.gz CAPNSRCUSOVAJU-FZMZJTMJSA-N 0 1 391.103 3.671 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203567683 1027439483 /nfs/dbraw/zinc/43/94/83/1027439483.db2.gz YOCVRXWWOIFDDC-VIRWGQHYSA-N 0 1 379.067 3.850 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C(=O)[O-])cs3)cc2F)CC1 ZINC001596438604 984128889 /nfs/dbraw/zinc/12/88/89/984128889.db2.gz NGQKJRCBSINQSF-CQSZACIVSA-N 0 1 391.512 3.578 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccccc1Br ZINC000316021871 1032117677 /nfs/dbraw/zinc/11/76/77/1032117677.db2.gz FGPNHVFHGJGSCF-UHFFFAOYSA-N 0 1 381.295 3.850 20 10 GHCDMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2c(O)ccc3ccccc32)cc(OC)c1 ZINC001599406025 997302935 /nfs/dbraw/zinc/30/29/35/997302935.db2.gz RGJTYZWTPZPHNI-UHFFFAOYSA-N 0 1 381.428 3.649 20 10 GHCDMN CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001221125379 1032296269 /nfs/dbraw/zinc/29/62/69/1032296269.db2.gz SUUQUAKJXPZNQC-UHFFFAOYSA-N 0 1 375.900 3.887 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)cc1Cl ZINC001277212438 1032433700 /nfs/dbraw/zinc/43/37/00/1032433700.db2.gz BQHNLSZNHQQMRI-NRFANRHFSA-N 0 1 376.928 3.969 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)cc1Cl ZINC001277212438 1032433705 /nfs/dbraw/zinc/43/37/05/1032433705.db2.gz BQHNLSZNHQQMRI-NRFANRHFSA-N 0 1 376.928 3.969 20 10 GHCDMN CCOc1ccc([C@@H](C)Oc2c(O)c(C(=O)OC)sc2C(=O)OC)cc1 ZINC001227621007 1032488352 /nfs/dbraw/zinc/48/83/52/1032488352.db2.gz ACEGTEZWEGHTPG-SNVBAGLBSA-N 0 1 380.418 3.566 20 10 GHCDMN CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC001204203727 1032655105 /nfs/dbraw/zinc/65/51/05/1032655105.db2.gz APEAROBKKKSRSR-GOSISDBHSA-N 0 1 385.464 3.578 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)C[C@H]1Cc1ccccc1 ZINC001204276311 1032716675 /nfs/dbraw/zinc/71/66/75/1032716675.db2.gz KCPROGGEMSFWKM-LJQANCHMSA-N 0 1 398.503 3.762 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(O)cc2[O-])C2CCC2)C1 ZINC001204281798 1032723466 /nfs/dbraw/zinc/72/34/66/1032723466.db2.gz KDZZYETXOLRUMO-QGZVFWFLSA-N 0 1 376.497 3.852 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(O)cc2[O-])C2CCC2)C1 ZINC001204281798 1032723477 /nfs/dbraw/zinc/72/34/77/1032723477.db2.gz KDZZYETXOLRUMO-QGZVFWFLSA-N 0 1 376.497 3.852 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCCc2cccnc21 ZINC001228516403 1032967564 /nfs/dbraw/zinc/96/75/64/1032967564.db2.gz MEWLHVQBWMCWGX-SFHVURJKSA-N 0 1 393.395 3.591 20 10 GHCDMN CC(C)[C@@H](Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1)C(F)(F)F ZINC001228516823 1032967572 /nfs/dbraw/zinc/96/75/72/1032967572.db2.gz ORVASNFXDVMTFI-QGZVFWFLSA-N 0 1 386.322 3.706 20 10 GHCDMN C[C@]1(c2ccc(F)cc2)CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288091 1021323021 /nfs/dbraw/zinc/32/30/21/1021323021.db2.gz MMQMMODVLSAION-HSZRJFAPSA-N 0 1 384.495 3.534 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001140464745 1021758385 /nfs/dbraw/zinc/75/83/85/1021758385.db2.gz AJMBGFWMCYAIMK-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001140464745 1021758400 /nfs/dbraw/zinc/75/84/00/1021758400.db2.gz AJMBGFWMCYAIMK-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)N1Cc1ccncc1 ZINC001140465253 1021758438 /nfs/dbraw/zinc/75/84/38/1021758438.db2.gz LHTCOWFGCNCDRU-UHFFFAOYSA-N 0 1 385.895 3.598 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001140465318 1021759508 /nfs/dbraw/zinc/75/95/08/1021759508.db2.gz OBKFWWHMUUZZAI-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001140465318 1021759525 /nfs/dbraw/zinc/75/95/25/1021759525.db2.gz OBKFWWHMUUZZAI-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN C[C@@H]1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C[C@H]1F ZINC001140473582 1021770955 /nfs/dbraw/zinc/77/09/55/1021770955.db2.gz CCAQFYAHWXOGEQ-YLJYHZDGSA-N 0 1 391.531 3.924 20 10 GHCDMN COC(=O)c1ccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2F)cc1 ZINC001140667591 1022219604 /nfs/dbraw/zinc/21/96/04/1022219604.db2.gz ZCRWXOAOMIJOKQ-QFIPXVFZSA-N 0 1 398.478 3.786 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(O)c(C)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001140744880 1022411988 /nfs/dbraw/zinc/41/19/88/1022411988.db2.gz OHFKOYMTFXYYII-HXUWFJFHSA-N 0 1 399.535 3.929 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1ccc(O)c(C)c1O)C2 ZINC001140748291 1022422131 /nfs/dbraw/zinc/42/21/31/1022422131.db2.gz JMYVTINJTQHRRQ-UHFFFAOYSA-N 0 1 390.487 3.527 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001140856148 1022711178 /nfs/dbraw/zinc/71/11/78/1022711178.db2.gz RLJZUTZZPGGHPN-UHFFFAOYSA-N 0 1 389.540 3.824 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N([C@H](C)C(C)C)C3CC3)cc2F)CC1 ZINC000754918836 1022966899 /nfs/dbraw/zinc/96/68/99/1022966899.db2.gz MNCUSCYLCRBGBM-QGZVFWFLSA-N 0 1 390.547 3.686 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC001141031232 1023296611 /nfs/dbraw/zinc/29/66/11/1023296611.db2.gz ZLLLAYNWWKKMRP-WBAXXEDZSA-N 0 1 391.508 3.884 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030927 1023296940 /nfs/dbraw/zinc/29/69/40/1023296940.db2.gz RAPKDNJYCDKQQJ-KNQAVFIVSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030927 1023296948 /nfs/dbraw/zinc/29/69/48/1023296948.db2.gz RAPKDNJYCDKQQJ-KNQAVFIVSA-N 0 1 399.487 3.721 20 10 GHCDMN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1[O-] ZINC000756369326 1023612803 /nfs/dbraw/zinc/61/28/03/1023612803.db2.gz BNQPYUFYTSUQON-GFCCVEGCSA-N 0 1 378.266 3.819 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756659278 1023758691 /nfs/dbraw/zinc/75/86/91/1023758691.db2.gz CGQMILSPWYNZTG-WBMJQRKESA-N 0 1 375.266 3.611 20 10 GHCDMN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756707681 1023782974 /nfs/dbraw/zinc/78/29/74/1023782974.db2.gz MWSGTEOCSOFBBZ-LBPRGKRZSA-N 0 1 385.302 3.815 20 10 GHCDMN C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)cc(F)c1[O-] ZINC000756714541 1023785473 /nfs/dbraw/zinc/78/54/73/1023785473.db2.gz ZTATUPADYMRPEJ-RTHLEPHNSA-N 0 1 390.199 3.956 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)[C@@H](c2ccccc2)C1 ZINC001141144603 1023962999 /nfs/dbraw/zinc/96/29/99/1023962999.db2.gz IENLKLFNVUZEJS-TZIWHRDSSA-N 0 1 380.488 3.642 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001138127337 1024174052 /nfs/dbraw/zinc/17/40/52/1024174052.db2.gz XGAZNAPYONOYQE-LJQANCHMSA-N 0 1 395.400 3.803 20 10 GHCDMN c1ncn2c1CN(Cc1ccc(N3CCCCC3)cc1)C[C@@H](COCC1CC1)C2 ZINC001138216901 1024385328 /nfs/dbraw/zinc/38/53/28/1024385328.db2.gz OVBREPLFUZROBA-JOCHJYFZSA-N 0 1 394.563 3.932 20 10 GHCDMN Cc1c(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c2ccccc2n1C ZINC001138255892 1024481088 /nfs/dbraw/zinc/48/10/88/1024481088.db2.gz WVEPDICRLWITPZ-RBZQAINGSA-N 0 1 391.515 3.830 20 10 GHCDMN COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372996 1024760819 /nfs/dbraw/zinc/76/08/19/1024760819.db2.gz IKMNHDWSQBNYGY-SNVBAGLBSA-N 0 1 376.678 3.583 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001139127603 1025940259 /nfs/dbraw/zinc/94/02/59/1025940259.db2.gz LRUKGWFHERHNPF-UHFFFAOYSA-N 0 1 378.472 3.515 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001139127603 1025940262 /nfs/dbraw/zinc/94/02/62/1025940262.db2.gz LRUKGWFHERHNPF-UHFFFAOYSA-N 0 1 378.472 3.515 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001139127603 1025940265 /nfs/dbraw/zinc/94/02/65/1025940265.db2.gz LRUKGWFHERHNPF-UHFFFAOYSA-N 0 1 378.472 3.515 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nccn2C2CC2)C1 ZINC000839941299 1026360471 /nfs/dbraw/zinc/36/04/71/1026360471.db2.gz YSPCMYDXPRLOQW-UHFFFAOYSA-N 0 1 377.492 3.578 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4sccc4n3)CC2)cc1 ZINC001164328525 1026486431 /nfs/dbraw/zinc/48/64/31/1026486431.db2.gz WXKNUTXOPPFFQC-UHFFFAOYSA-N 0 1 382.533 3.929 20 10 GHCDMN CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001139683364 1026537601 /nfs/dbraw/zinc/53/76/01/1026537601.db2.gz HQLBTEDIDBGLKC-JOCHJYFZSA-N 0 1 386.442 3.817 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccc(C)cn4)C3)C2)cc1 ZINC001139837143 1026656250 /nfs/dbraw/zinc/65/62/50/1026656250.db2.gz LCILONOKKAVBNO-HSZRJFAPSA-N 0 1 381.520 3.518 20 10 GHCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140100712 1026877813 /nfs/dbraw/zinc/87/78/13/1026877813.db2.gz AANLGTMZITURIM-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140100712 1026877816 /nfs/dbraw/zinc/87/78/16/1026877816.db2.gz AANLGTMZITURIM-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001140099821 1026878016 /nfs/dbraw/zinc/87/80/16/1026878016.db2.gz UTDDJNIAIJCTOW-HNNXBMFYSA-N 0 1 396.325 3.705 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203652070 1027506620 /nfs/dbraw/zinc/50/66/20/1027506620.db2.gz ZZZXIZUBHPFYKE-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203652070 1027506635 /nfs/dbraw/zinc/50/66/35/1027506635.db2.gz ZZZXIZUBHPFYKE-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)C1=O ZINC001203659380 1027517365 /nfs/dbraw/zinc/51/73/65/1027517365.db2.gz UEKSJGUSHSQQSF-LJQANCHMSA-N 0 1 384.907 3.884 20 10 GHCDMN CCc1nnc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)o1 ZINC001461317048 1069497568 /nfs/dbraw/zinc/49/75/68/1069497568.db2.gz 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3.986 20 10 GHCDMN Cc1cc(C)cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001445882177 1059645209 /nfs/dbraw/zinc/64/52/09/1059645209.db2.gz KCAWBUODVQDWCG-FQEVSTJZSA-N 0 1 386.923 3.986 20 10 GHCDMN Cc1cc(C)cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001445882177 1059645214 /nfs/dbraw/zinc/64/52/14/1059645214.db2.gz KCAWBUODVQDWCG-FQEVSTJZSA-N 0 1 386.923 3.986 20 10 GHCDMN Cc1ccc(OCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445880119 1059645355 /nfs/dbraw/zinc/64/53/55/1059645355.db2.gz FOOTXPLSVOSBQZ-GOSISDBHSA-N 0 1 388.895 3.514 20 10 GHCDMN O=C(CCNc1ccccc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001341293924 1060558326 /nfs/dbraw/zinc/55/83/26/1060558326.db2.gz ILXSUPJXSDLWFZ-LJQANCHMSA-N 0 1 387.911 3.628 20 10 GHCDMN CCn1c(=O)[nH]c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC001450723537 1060668128 /nfs/dbraw/zinc/66/81/28/1060668128.db2.gz XDXJLTHNCOXRGM-UHFFFAOYSA-N 0 1 380.231 3.704 20 10 GHCDMN Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)c(C)n1-c1cccc(C)c1 ZINC001456331475 1062617962 /nfs/dbraw/zinc/61/79/62/1062617962.db2.gz KXIREZUMVZMUER-UHFFFAOYSA-N 0 1 380.448 3.943 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001457145939 1062989622 /nfs/dbraw/zinc/98/96/22/1062989622.db2.gz FXWNMNAVQVVCAM-AWEZNQCLSA-N 0 1 383.883 3.683 20 10 GHCDMN COc1ccc(N2CC[C@@H](NC(=O)c3c(O)cc(Cl)cc3Cl)C2)cc1 ZINC001457946227 1063461806 /nfs/dbraw/zinc/46/18/06/1063461806.db2.gz YWSYAWPMVZWCPR-GFCCVEGCSA-N 0 1 381.259 3.716 20 10 GHCDMN CN(C)c1ccc(CNC(=O)C[N@@H+](CCc2cccc(F)c2)C2CCCC2)cc1 ZINC001459801247 1064223667 /nfs/dbraw/zinc/22/36/67/1064223667.db2.gz HSLANLHADJFBGF-UHFFFAOYSA-N 0 1 397.538 3.995 20 10 GHCDMN CC(C)n1cc(OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000847135211 1064755318 /nfs/dbraw/zinc/75/53/18/1064755318.db2.gz SVLTUZWMBRPXJY-UHFFFAOYSA-N 0 1 380.492 3.791 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001200135863 1065314193 /nfs/dbraw/zinc/31/41/93/1065314193.db2.gz SQDMQHCVDNDTGN-GFCCVEGCSA-N 0 1 383.236 3.801 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC001465424542 1065601741 /nfs/dbraw/zinc/60/17/41/1065601741.db2.gz BIPMCKIUCDJNGG-UHFFFAOYSA-N 0 1 390.418 3.852 20 10 GHCDMN Cn1ccc2ccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc21 ZINC001465951649 1065935695 /nfs/dbraw/zinc/93/56/95/1065935695.db2.gz PTBWFOLIBPAJRR-LJQANCHMSA-N 0 1 397.906 3.932 20 10 GHCDMN CCOc1ccc(N2CCN(C(=O)[C@H](c3ccccc3)N(CC)CC)CC2)cc1 ZINC001466208687 1066035705 /nfs/dbraw/zinc/03/57/05/1066035705.db2.gz OLYSOBHDNCAJPR-QHCPKHFHSA-N 0 1 395.547 3.817 20 10 GHCDMN CCc1ccc([C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])[NH+](C)C)cc1 ZINC001468017930 1067566798 /nfs/dbraw/zinc/56/67/98/1067566798.db2.gz JKOBMHNLFNIGJZ-GOSISDBHSA-N 0 1 375.900 3.710 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-n4ccnc4)c(Cl)c3)cc2)CC1 ZINC001474055214 1074249834 /nfs/dbraw/zinc/24/98/34/1074249834.db2.gz PCGZPSKVWSOLLL-UHFFFAOYSA-N 0 1 381.911 3.890 20 10 GHCDMN CCOC(=O)[C@](C)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC001474449316 1074412054 /nfs/dbraw/zinc/41/20/54/1074412054.db2.gz SGTIFGAAMWXNMW-LJQANCHMSA-N 0 1 392.293 3.765 20 10 GHCDMN CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000833663631 604775483 /nfs/dbraw/zinc/77/54/83/604775483.db2.gz ZEOZMYUVUSRXRK-QGZVFWFLSA-N 0 1 394.265 3.811 20 10 GHCDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000833419575 605548932 /nfs/dbraw/zinc/54/89/32/605548932.db2.gz GRWCUSIPENJMEQ-KRWDZBQOSA-N 0 1 389.496 3.908 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cccc(O)c2)C1 ZINC000683494797 837407689 /nfs/dbraw/zinc/40/76/89/837407689.db2.gz GMJSBEDBBNNEFK-QGZVFWFLSA-N 0 1 391.515 3.991 20 10 GHCDMN COC(=O)CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1cc(Cl)ccc1O ZINC000179555495 835878466 /nfs/dbraw/zinc/87/84/66/835878466.db2.gz UMRUTBHIFQPVKG-UHFFFAOYSA-N 0 1 385.851 3.611 20 10 GHCDMN CCc1onc(C)c1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000892611655 837081603 /nfs/dbraw/zinc/08/16/03/837081603.db2.gz YWQMFHFUUOHGBH-UHFFFAOYSA-N 0 1 383.414 3.691 20 10 GHCDMN OC1(c2ccccc2Cl)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000194947867 840378688 /nfs/dbraw/zinc/37/86/88/840378688.db2.gz DOUJUXQVJVKYQH-UHFFFAOYSA-N 0 1 386.923 3.660 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000781894002 840966097 /nfs/dbraw/zinc/96/60/97/840966097.db2.gz BSLZONOLCINQPV-UHFFFAOYSA-N 0 1 378.266 3.866 20 10 GHCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(OCc4ccccc4)cc3O)[C@H]2C1 ZINC000248504630 841756838 /nfs/dbraw/zinc/75/68/38/841756838.db2.gz VPLFWAQTKRYZDM-NWSQWKLXSA-N 0 1 383.488 3.740 20 10 GHCDMN O=S(=O)(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc2nsnc21 ZINC000730768446 861266373 /nfs/dbraw/zinc/26/63/73/861266373.db2.gz PUHLSAOAVFGGSC-UHFFFAOYSA-N 0 1 394.909 3.746 20 10 GHCDMN CNS(=O)(=O)c1ccc(C)c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000319736097 842181795 /nfs/dbraw/zinc/18/17/95/842181795.db2.gz CMDSJRKEKHZIED-UHFFFAOYSA-N 0 1 375.277 3.528 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(F)(F)F)C1 ZINC000410960083 844775729 /nfs/dbraw/zinc/77/57/29/844775729.db2.gz BAAOOXLQIZHFSP-UHFFFAOYSA-N 0 1 381.442 3.865 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3c3n[nH]c(C)n3)ccc21 ZINC000513256520 845154527 /nfs/dbraw/zinc/15/45/27/845154527.db2.gz KCERBUFVHBSWMP-FQEVSTJZSA-N 0 1 395.507 3.698 20 10 GHCDMN COC[C@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000436013766 851094130 /nfs/dbraw/zinc/09/41/30/851094130.db2.gz ZTHQGZFQNHFHOA-IBGZPJMESA-N 0 1 397.563 3.683 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000910344753 851140014 /nfs/dbraw/zinc/14/00/14/851140014.db2.gz KIWNNJDTBZZPDP-NTMALXAHSA-N 0 1 387.480 3.785 20 10 GHCDMN COc1ccc(CNCc2cc(F)c(C(F)(F)F)cc2F)c(O)c1OC ZINC000894508574 851559044 /nfs/dbraw/zinc/55/90/44/851559044.db2.gz MIWDKPQLVXYVCU-UHFFFAOYSA-N 0 1 377.309 3.996 20 10 GHCDMN CC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000057949371 855826591 /nfs/dbraw/zinc/82/65/91/855826591.db2.gz MITQCQUMWVLFRM-QHCPKHFHSA-N 0 1 396.531 3.751 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000701172308 856320935 /nfs/dbraw/zinc/32/09/35/856320935.db2.gz NITSOPSIQXHKRD-AWEZNQCLSA-N 0 1 385.302 3.548 20 10 GHCDMN CCN(CC)[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000729527988 856413927 /nfs/dbraw/zinc/41/39/27/856413927.db2.gz WBHBFVZQSHPEDM-CVDCTZTESA-N 0 1 395.547 3.784 20 10 GHCDMN Cc1cc(Br)ccc1NC(=O)CNCc1ccc(N(C)C)c(F)c1 ZINC000733322758 862864991 /nfs/dbraw/zinc/86/49/91/862864991.db2.gz CHPHSKQKCDYCRA-UHFFFAOYSA-N 0 1 394.288 3.691 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]c3ccc(Br)cc32)c1 ZINC000171870315 862932372 /nfs/dbraw/zinc/93/23/72/862932372.db2.gz BSNMXPMJQGOMSQ-SECBINFHSA-N 0 1 390.237 3.531 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1 ZINC000907816095 857790997 /nfs/dbraw/zinc/79/09/97/857790997.db2.gz QDCIHSWANXJNPB-MRDWYFFCSA-N 0 1 381.476 3.556 20 10 GHCDMN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000765304132 859903494 /nfs/dbraw/zinc/90/34/94/859903494.db2.gz INRZUKRZGICPPN-AWEZNQCLSA-N 0 1 378.875 3.659 20 10 GHCDMN CS(=O)(=O)C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000765659489 860388142 /nfs/dbraw/zinc/38/81/42/860388142.db2.gz ZMSNLTFEBUDJSM-NRFANRHFSA-N 0 1 381.497 3.935 20 10 GHCDMN COCCN1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000729980291 860482053 /nfs/dbraw/zinc/48/20/53/860482053.db2.gz MRMXMSYVUZPGBV-SFHVURJKSA-N 0 1 389.927 3.588 20 10 GHCDMN O=C(NCc1ccccc1O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000730126464 860872148 /nfs/dbraw/zinc/87/21/48/860872148.db2.gz YCDQXHVNFRKQTH-UHFFFAOYSA-N 0 1 387.911 3.757 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)N[C@H]3CCCC[C@H]3C)cc2F)CC1 ZINC000730157385 860902617 /nfs/dbraw/zinc/90/26/17/860902617.db2.gz RUQLXGWOYNSYRF-APWZRJJASA-N 0 1 392.588 3.510 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3F)cc2F)CC1 ZINC000730193577 860936461 /nfs/dbraw/zinc/93/64/61/860936461.db2.gz MTERDDIJPRIYJT-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN COc1ccccc1CN(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793061 881671904 /nfs/dbraw/zinc/67/19/04/881671904.db2.gz BSILQBQRXMWSAE-UHFFFAOYSA-N 0 1 382.426 3.775 20 10 GHCDMN CCCCC[N@@H+](Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])C(C)C ZINC000734829555 864466127 /nfs/dbraw/zinc/46/61/27/864466127.db2.gz RIULZGZRBMLGAN-UHFFFAOYSA-N 0 1 376.541 3.828 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@H]2CC2(F)F)C1 ZINC000622195878 864846835 /nfs/dbraw/zinc/84/68/35/864846835.db2.gz XWPZOOUGDOUTNY-HNNXBMFYSA-N 0 1 375.463 3.569 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(Cc2ccncc2)CC1 ZINC000184713580 864879938 /nfs/dbraw/zinc/87/99/38/864879938.db2.gz ZXIIZZSRHADYAQ-UHFFFAOYSA-N 0 1 389.499 3.684 20 10 GHCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OC(F)F)c1 ZINC000121298767 865098510 /nfs/dbraw/zinc/09/85/10/865098510.db2.gz GANZFOLAOQONCK-UHFFFAOYSA-N 0 1 392.446 3.765 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1[O-] ZINC000738095635 865484298 /nfs/dbraw/zinc/48/42/98/865484298.db2.gz BCBYCMIOAHEQEF-IBGZPJMESA-N 0 1 394.515 3.779 20 10 GHCDMN CC(C)[N@H+](C)CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000738089508 865484534 /nfs/dbraw/zinc/48/45/34/865484534.db2.gz KRHDVFJSOAZSBV-UHFFFAOYSA-N 0 1 396.531 3.881 20 10 GHCDMN CC(C)[N@@H+](C)CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000738089508 865484537 /nfs/dbraw/zinc/48/45/37/865484537.db2.gz KRHDVFJSOAZSBV-UHFFFAOYSA-N 0 1 396.531 3.881 20 10 GHCDMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Br)ccc1[O-] ZINC000174425499 865790552 /nfs/dbraw/zinc/79/05/52/865790552.db2.gz GEJIEQNRSRZMCR-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(Br)ccc1[O-] ZINC000174425499 865790559 /nfs/dbraw/zinc/79/05/59/865790559.db2.gz GEJIEQNRSRZMCR-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1cc(Br)ccc1[O-] ZINC000174426414 865790585 /nfs/dbraw/zinc/79/05/85/865790585.db2.gz FSRRPCMLFNYLLM-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1cc(Br)ccc1[O-] ZINC000174426414 865790592 /nfs/dbraw/zinc/79/05/92/865790592.db2.gz FSRRPCMLFNYLLM-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CN(C)c1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000793067122 881907455 /nfs/dbraw/zinc/90/74/55/881907455.db2.gz TYBRQVGZUNHTDI-DWXRJYCRSA-N 0 1 384.467 3.981 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(-n4nc(C)cc4C)cc3)CC2)cc1F ZINC001168069471 866183630 /nfs/dbraw/zinc/18/36/30/866183630.db2.gz XVCDVAPVZIJCTK-UHFFFAOYSA-N 0 1 394.494 3.959 20 10 GHCDMN COc1cc(N2CCN([C@@H]3CCc4ccc(F)cc43)CC2)cc(OC)c1OC ZINC000183706690 867472231 /nfs/dbraw/zinc/47/22/31/867472231.db2.gz OGAGDBXCMNYVSZ-LJQANCHMSA-N 0 1 386.467 3.661 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(-c4ccc(Cl)s4)o3)cc2)CC1 ZINC000857224730 882126786 /nfs/dbraw/zinc/12/67/86/882126786.db2.gz AHPIUQBWXCXRKU-UHFFFAOYSA-N 0 1 389.912 3.815 20 10 GHCDMN CCc1nsc(N2CCCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)n1 ZINC000743409776 868188824 /nfs/dbraw/zinc/18/88/24/868188824.db2.gz PMIIAEMMIQCAQG-UHFFFAOYSA-N 0 1 390.553 3.522 20 10 GHCDMN CCN(CC(=O)NC1CCCCCC1)Cc1cc(Br)ccc1O ZINC000743870936 868468101 /nfs/dbraw/zinc/46/81/01/868468101.db2.gz IERCRJORQNKIAX-UHFFFAOYSA-N 0 1 383.330 3.816 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3C4CCCC3CCC4)cc2F)CC1 ZINC000745808480 869830835 /nfs/dbraw/zinc/83/08/35/869830835.db2.gz LSFFILZOYFXRFP-UHFFFAOYSA-N 0 1 388.531 3.584 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1Cc2ccc(F)cc21 ZINC000793689004 882366832 /nfs/dbraw/zinc/36/68/32/882366832.db2.gz IFNITOYWONIPQA-PKOBYXMFSA-N 0 1 388.870 3.605 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CNC1(c2ncc(Br)cn2)CCC1 ZINC000897351415 870931058 /nfs/dbraw/zinc/93/10/58/870931058.db2.gz FFFQTNRDCRZICQ-UHFFFAOYSA-N 0 1 386.652 3.906 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000897351415 870931067 /nfs/dbraw/zinc/93/10/67/870931067.db2.gz FFFQTNRDCRZICQ-UHFFFAOYSA-N 0 1 386.652 3.906 20 10 GHCDMN CCOC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc2ccccc21 ZINC001193626352 871196109 /nfs/dbraw/zinc/19/61/09/871196109.db2.gz VDQLPKMDPCXQIR-SFHVURJKSA-N 0 1 399.830 3.939 20 10 GHCDMN CC1(C)COCCN1Cc1cc(Br)cc(Br)c1O ZINC000775663613 872480097 /nfs/dbraw/zinc/48/00/97/872480097.db2.gz PSHMROZDLCKPOE-UHFFFAOYSA-N 0 1 379.092 3.528 20 10 GHCDMN COc1cccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000768217099 873171067 /nfs/dbraw/zinc/17/10/67/873171067.db2.gz DZEBABRQHNASGJ-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN O=C(CCC1CCCC1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768252770 873193092 /nfs/dbraw/zinc/19/30/92/873193092.db2.gz PBCHONXDIKTWRB-UHFFFAOYSA-N 0 1 395.341 3.769 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1O ZINC000775726686 873234632 /nfs/dbraw/zinc/23/46/32/873234632.db2.gz WPCJMAAWHVWALV-CQSZACIVSA-N 0 1 382.220 3.598 20 10 GHCDMN COc1cc(O)c(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1OC ZINC000768444264 873309184 /nfs/dbraw/zinc/30/91/84/873309184.db2.gz WNMQIBQVHHKLSI-PHIMTYICSA-N 0 1 387.320 3.972 20 10 GHCDMN Oc1cc2c(cc1CN(Cc1csc(Br)c1)C1CC1)[C@H](O)CO2 ZINC000768464034 873327899 /nfs/dbraw/zinc/32/78/99/873327899.db2.gz ZBKVLWYMIANEBT-OAHLLOKOSA-N 0 1 396.306 3.807 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768800663 873562267 /nfs/dbraw/zinc/56/22/67/873562267.db2.gz YJVLCCMSDTXZGD-GFCCVEGCSA-N 0 1 380.275 3.945 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768800663 873562272 /nfs/dbraw/zinc/56/22/72/873562272.db2.gz YJVLCCMSDTXZGD-GFCCVEGCSA-N 0 1 380.275 3.945 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912623 873678373 /nfs/dbraw/zinc/67/83/73/873678373.db2.gz PZEKNBOGANQMAF-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768912623 873678379 /nfs/dbraw/zinc/67/83/79/873678379.db2.gz PZEKNBOGANQMAF-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768912623 873678387 /nfs/dbraw/zinc/67/83/87/873678387.db2.gz PZEKNBOGANQMAF-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN CCOc1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1 ZINC000769061141 873793885 /nfs/dbraw/zinc/79/38/85/873793885.db2.gz LUJWZPNBJFXYGS-UHFFFAOYSA-N 0 1 388.895 3.792 20 10 GHCDMN CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000769495952 874101422 /nfs/dbraw/zinc/10/14/22/874101422.db2.gz IHAYZOXVCHQDDU-IBGZPJMESA-N 0 1 376.447 3.948 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](F)c1ccccc1 ZINC000769605351 874189530 /nfs/dbraw/zinc/18/95/30/874189530.db2.gz NRDGMMBEYWHRCE-PKOBYXMFSA-N 0 1 376.859 3.837 20 10 GHCDMN CCc1nnc([C@H](C)OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000769663793 874221335 /nfs/dbraw/zinc/22/13/35/874221335.db2.gz SRLOSUCUFRUOHW-HNNXBMFYSA-N 0 1 396.491 3.658 20 10 GHCDMN CC(C)n1ccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000769665142 874221788 /nfs/dbraw/zinc/22/17/88/874221788.db2.gz QFNRYKGZJRELDR-UHFFFAOYSA-N 0 1 394.519 3.929 20 10 GHCDMN COc1cccc(O)c1CN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000770307582 874589675 /nfs/dbraw/zinc/58/96/75/874589675.db2.gz ZPUUBSMZPYNIMW-HXUWFJFHSA-N 0 1 390.483 3.948 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cccc(Cl)c3N)cc2F)C[C@H](C)O1 ZINC001199412293 874975293 /nfs/dbraw/zinc/97/52/93/874975293.db2.gz GDFSYKCDGSTRLH-KBPBESRZSA-N 0 1 377.891 3.965 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2cccnc21 ZINC000771052433 875012653 /nfs/dbraw/zinc/01/26/53/875012653.db2.gz FCXMVPLHZOJGAL-SFHVURJKSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([O-])c(Cl)c1 ZINC000771058894 875016308 /nfs/dbraw/zinc/01/63/08/875016308.db2.gz ONLPPVVAXMVGPQ-OAHLLOKOSA-N 0 1 395.286 3.799 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000776004242 875089492 /nfs/dbraw/zinc/08/94/92/875089492.db2.gz LRFKFGOQRNLJAW-AVRDEDQJSA-N 0 1 394.515 3.593 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@H]1n1cccn1 ZINC000858173700 882909450 /nfs/dbraw/zinc/90/94/50/882909450.db2.gz FVVJPXDFLOQCAA-DJIMGWMZSA-N 0 1 394.313 3.638 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccc(CSC(F)F)o3)cc2)CC1 ZINC000850406129 876887095 /nfs/dbraw/zinc/88/70/95/876887095.db2.gz SYFXIUHXCZBUIE-UHFFFAOYSA-N 0 1 382.476 3.986 20 10 GHCDMN COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000850482674 876957331 /nfs/dbraw/zinc/95/73/31/876957331.db2.gz QSDPHNBQZCJYOJ-XLIONFOSSA-N 0 1 395.499 3.825 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(F)c2O)C1 ZINC000530007127 876963246 /nfs/dbraw/zinc/96/32/46/876963246.db2.gz XQOHQAXEGDATKN-UHFFFAOYSA-N 0 1 381.451 3.891 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)ccc1[O-] ZINC000926927569 877495748 /nfs/dbraw/zinc/49/57/48/877495748.db2.gz IAAISIIOXCIHFL-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccccc4O)CC3)n2)cc1 ZINC000179559451 877719412 /nfs/dbraw/zinc/71/94/12/877719412.db2.gz KHJJNMREPUAMPC-QGZVFWFLSA-N 0 1 378.476 3.629 20 10 GHCDMN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173211426 877812996 /nfs/dbraw/zinc/81/29/96/877812996.db2.gz UGNWXTBUQADTTO-NZXNHFJFSA-N 0 1 389.459 3.513 20 10 GHCDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000179662462 877836671 /nfs/dbraw/zinc/83/66/71/877836671.db2.gz LXRBYUJKRPSHMU-GOSISDBHSA-N 0 1 383.536 3.849 20 10 GHCDMN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000852596743 878449788 /nfs/dbraw/zinc/44/97/88/878449788.db2.gz OKZZUWHRJIFQPU-LRDDRELGSA-N 0 1 397.306 3.643 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789596632 879104033 /nfs/dbraw/zinc/10/40/33/879104033.db2.gz WTLBKHWREKDPSA-QHCPKHFHSA-N 0 1 377.532 3.910 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCC2CCOCC2)C1 ZINC000452201123 879125818 /nfs/dbraw/zinc/12/58/18/879125818.db2.gz QSBAKLFTGDBHJG-UHFFFAOYSA-N 0 1 397.563 3.731 20 10 GHCDMN COc1ccc(O)c(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000181015851 879581996 /nfs/dbraw/zinc/58/19/96/879581996.db2.gz AGSVXHXVFLAWQD-UHFFFAOYSA-N 0 1 383.492 3.827 20 10 GHCDMN C[C@@H]1CN(c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)C[C@H](C)O1 ZINC000790488876 879759901 /nfs/dbraw/zinc/75/99/01/879759901.db2.gz QBMUYMYQWLVVTR-BGYRXZFFSA-N 0 1 394.563 3.664 20 10 GHCDMN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000776807539 880449948 /nfs/dbraw/zinc/44/99/48/880449948.db2.gz JFZWUPWDGOVWBX-QWHCGFSZSA-N 0 1 385.302 3.501 20 10 GHCDMN Cc1nc2cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc2o1 ZINC000792238312 880997913 /nfs/dbraw/zinc/99/79/13/880997913.db2.gz OYXQDHQPXNRSMG-QGZVFWFLSA-N 0 1 399.878 3.890 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000772804152 881256921 /nfs/dbraw/zinc/25/69/21/881256921.db2.gz SWVTXXMCUJCHCT-KRWDZBQOSA-N 0 1 380.941 3.580 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000772804152 881256934 /nfs/dbraw/zinc/25/69/34/881256934.db2.gz SWVTXXMCUJCHCT-KRWDZBQOSA-N 0 1 380.941 3.580 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000772804152 881256948 /nfs/dbraw/zinc/25/69/48/881256948.db2.gz SWVTXXMCUJCHCT-KRWDZBQOSA-N 0 1 380.941 3.580 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(Cc3cccnc3)no2)C1 ZINC000551037395 883134827 /nfs/dbraw/zinc/13/48/27/883134827.db2.gz POYUOXYGSYLYQU-UHFFFAOYSA-N 0 1 387.487 3.825 20 10 GHCDMN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000858492696 883144744 /nfs/dbraw/zinc/14/47/44/883144744.db2.gz BQGHUTGTNMNDBB-CYBMUJFWSA-N 0 1 384.904 3.770 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1COc2ccccc2C1 ZINC000804942108 883476820 /nfs/dbraw/zinc/47/68/20/883476820.db2.gz BBUBDABAYNMUCX-LLVKDONJSA-N 0 1 381.259 3.750 20 10 GHCDMN COC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805168623 883652075 /nfs/dbraw/zinc/65/20/75/883652075.db2.gz JXHKWQPWORBGNN-OAHLLOKOSA-N 0 1 383.275 3.756 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275241664 912794563 /nfs/dbraw/zinc/79/45/63/912794563.db2.gz HRCZLMGHXGTYPF-INIZCTEOSA-N 0 1 395.341 3.673 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241628 912794975 /nfs/dbraw/zinc/79/49/75/912794975.db2.gz GXKAYBFBJFNDTH-IBGZPJMESA-N 0 1 395.341 3.912 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001142512630 884368131 /nfs/dbraw/zinc/36/81/31/884368131.db2.gz GSLJGRMJFBLTRD-UHFFFAOYSA-N 0 1 385.389 3.867 20 10 GHCDMN COC(=O)COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806202536 884443693 /nfs/dbraw/zinc/44/36/93/884443693.db2.gz IWIZHNSBQKYKPZ-UHFFFAOYSA-N 0 1 399.230 3.573 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)c(C)c1 ZINC000127639357 884889814 /nfs/dbraw/zinc/88/98/14/884889814.db2.gz HMMAZNLJUIRFDY-UHFFFAOYSA-N 0 1 390.486 3.937 20 10 GHCDMN COc1ccc(CNCC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000806675066 884904491 /nfs/dbraw/zinc/90/44/91/884904491.db2.gz KYDRDXFAXSRATK-UHFFFAOYSA-N 0 1 377.282 3.803 20 10 GHCDMN CSc1ccc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807512830 885498081 /nfs/dbraw/zinc/49/80/81/885498081.db2.gz LASAFMAJZCXOIY-UHFFFAOYSA-N 0 1 399.299 3.984 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1)n1cccn1 ZINC000807839954 885771895 /nfs/dbraw/zinc/77/18/95/885771895.db2.gz NRWXEVOTPMJJCB-MRXNPFEDSA-N 0 1 376.243 3.801 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cncc(F)c1 ZINC000163405788 885798712 /nfs/dbraw/zinc/79/87/12/885798712.db2.gz GVIYOHTXCWBBJH-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN COC(=O)c1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807838651 885804134 /nfs/dbraw/zinc/80/41/34/885804134.db2.gz MXQNTWAMSFPTRW-UHFFFAOYSA-N 0 1 382.243 3.735 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccn(-c2cccc(F)c2)n1 ZINC000807839787 885804221 /nfs/dbraw/zinc/80/42/21/885804221.db2.gz LQAZLTBRBPTXTD-UHFFFAOYSA-N 0 1 380.206 3.954 20 10 GHCDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000807969755 885876069 /nfs/dbraw/zinc/87/60/69/885876069.db2.gz LFDKLTNOAKQUMA-HNNXBMFYSA-N 0 1 393.875 3.555 20 10 GHCDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000807969755 885876080 /nfs/dbraw/zinc/87/60/80/885876080.db2.gz LFDKLTNOAKQUMA-HNNXBMFYSA-N 0 1 393.875 3.555 20 10 GHCDMN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C ZINC000915219107 886036753 /nfs/dbraw/zinc/03/67/53/886036753.db2.gz REEQOLZRLZRAMP-UHFFFAOYSA-N 0 1 375.475 3.713 20 10 GHCDMN CN(C)c1cc(F)c(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1F ZINC000862371615 886333381 /nfs/dbraw/zinc/33/33/81/886333381.db2.gz KKYKZCOPFHLODY-NRFANRHFSA-N 0 1 378.438 3.597 20 10 GHCDMN CN1CC[C@@H](CNC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762659100 886631610 /nfs/dbraw/zinc/63/16/10/886631610.db2.gz VGBVWNXOLUMQSF-KXBFYZLASA-N 0 1 391.874 3.677 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000808794455 886790373 /nfs/dbraw/zinc/79/03/73/886790373.db2.gz KLLLJXYGLIODMB-NRFANRHFSA-N 0 1 391.870 3.814 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000808794455 886790380 /nfs/dbraw/zinc/79/03/80/886790380.db2.gz KLLLJXYGLIODMB-NRFANRHFSA-N 0 1 391.870 3.814 20 10 GHCDMN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2ccc(F)c(F)c2O)c1 ZINC000864035422 887527481 /nfs/dbraw/zinc/52/74/81/887527481.db2.gz AOMXHRJHLDGYCX-UHFFFAOYSA-N 0 1 398.475 3.930 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000809713417 887733679 /nfs/dbraw/zinc/73/36/79/887733679.db2.gz PRKNKANLVMWEKR-UHFFFAOYSA-N 0 1 393.672 3.679 20 10 GHCDMN CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809721041 887747294 /nfs/dbraw/zinc/74/72/94/887747294.db2.gz RQCACKBUQMLJPJ-AWEZNQCLSA-N 0 1 385.302 3.644 20 10 GHCDMN CC[N@H+](CCCN(C)C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809749281 887784710 /nfs/dbraw/zinc/78/47/10/887784710.db2.gz DMGXGXOOVIYNKE-UHFFFAOYSA-N 0 1 394.151 3.691 20 10 GHCDMN CC[N@@H+](CCCN(C)C)Cc1cc(Br)cc(Br)c1[O-] ZINC000809749281 887784727 /nfs/dbraw/zinc/78/47/27/887784727.db2.gz DMGXGXOOVIYNKE-UHFFFAOYSA-N 0 1 394.151 3.691 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2cccc(Cl)c2O)[C@H](C(F)F)C1 ZINC000809784263 887836152 /nfs/dbraw/zinc/83/61/52/887836152.db2.gz SJJJYTGQXVNZIE-ZDUSSCGKSA-N 0 1 376.831 3.732 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C(C)C)oc3C)CC2)cc1 ZINC000794822249 888238183 /nfs/dbraw/zinc/23/81/83/888238183.db2.gz JFOTZLQDVOHVQS-UHFFFAOYSA-N 0 1 399.535 3.662 20 10 GHCDMN CC[C@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223187 888299051 /nfs/dbraw/zinc/29/90/51/888299051.db2.gz FJKHVAMBZOHPME-KRWDZBQOSA-N 0 1 396.409 3.890 20 10 GHCDMN CCC(CC)N(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000812033466 890244631 /nfs/dbraw/zinc/24/46/31/890244631.db2.gz WHSSDRYAFATGGP-UHFFFAOYSA-N 0 1 378.536 3.688 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000067708826 891761451 /nfs/dbraw/zinc/76/14/51/891761451.db2.gz JCUSXBIVOWEHRX-FQEVSTJZSA-N 0 1 384.524 3.762 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4cnn(C(C)C)c4)C3)C2)cc1 ZINC001137074286 891827448 /nfs/dbraw/zinc/82/74/48/891827448.db2.gz DSIPMWSGAYDBMQ-HSZRJFAPSA-N 0 1 398.551 3.592 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000825699196 891845480 /nfs/dbraw/zinc/84/54/80/891845480.db2.gz SPLLIIPGBJAIRV-WMZOPIPTSA-N 0 1 380.257 3.550 20 10 GHCDMN CC(C)(C)c1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)c(O)c(C(C)(C)C)c1 ZINC000874050716 891969508 /nfs/dbraw/zinc/96/95/08/891969508.db2.gz SNHQPLZOUGDFCC-UHFFFAOYSA-N 0 1 376.541 3.626 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000933714526 893164108 /nfs/dbraw/zinc/16/41/08/893164108.db2.gz JRYNVIRDQUOVIE-NSHDSACASA-N 0 1 383.345 3.532 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000933714526 893164118 /nfs/dbraw/zinc/16/41/18/893164118.db2.gz JRYNVIRDQUOVIE-NSHDSACASA-N 0 1 383.345 3.532 20 10 GHCDMN CCN(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000815120357 893451819 /nfs/dbraw/zinc/45/18/19/893451819.db2.gz HPFFBSJDYANDLB-GOSISDBHSA-N 0 1 381.289 3.868 20 10 GHCDMN CCOP(=O)(CCC[NH2+]Cc1cc(Br)ccc1[O-])OCC ZINC000877520896 893662899 /nfs/dbraw/zinc/66/28/99/893662899.db2.gz KALQJSKERNDDAL-UHFFFAOYSA-N 0 1 380.219 3.901 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCc3occc3C2)C1 ZINC000564145534 894645869 /nfs/dbraw/zinc/64/58/69/894645869.db2.gz YJKYDNIQFBDVGA-UHFFFAOYSA-N 0 1 391.515 3.976 20 10 GHCDMN COc1ccccc1[C@@H](NCc1cc(Cl)c(F)cc1O)c1noc(C)n1 ZINC000816551551 894926885 /nfs/dbraw/zinc/92/68/85/894926885.db2.gz GDOGJNUOINJGAN-QGZVFWFLSA-N 0 1 377.803 3.764 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816566858 894949042 /nfs/dbraw/zinc/94/90/42/894949042.db2.gz JDJVQFWAYSNYRH-HNNXBMFYSA-N 0 1 398.887 3.591 20 10 GHCDMN COC1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)O[C@H](C)C3)cc2)CC1 ZINC000880067988 895491125 /nfs/dbraw/zinc/49/11/25/895491125.db2.gz YXSRCIPZTAQOFR-BEFAXECRSA-N 0 1 386.458 3.844 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@H](c3ccc(F)cc3)c3cnccn3)C2)cc1 ZINC000818342768 896122742 /nfs/dbraw/zinc/12/27/42/896122742.db2.gz VKSHSEUQHZMKHJ-UZUQRXQVSA-N 0 1 392.478 3.830 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000824608159 899718863 /nfs/dbraw/zinc/71/88/63/899718863.db2.gz BRCCOTSCDHUPCY-ZDUSSCGKSA-N 0 1 383.330 3.577 20 10 GHCDMN O=C(N1C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824830499 899852475 /nfs/dbraw/zinc/85/24/75/899852475.db2.gz TZXIGUHHIURYJE-GXSJLCMTSA-N 0 1 397.224 3.542 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000825354481 900121256 /nfs/dbraw/zinc/12/12/56/900121256.db2.gz VWBALOCNZSXDOV-CYBMUJFWSA-N 0 1 382.689 3.572 20 10 GHCDMN CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213307 900608396 /nfs/dbraw/zinc/60/83/96/900608396.db2.gz WPKWZEGUTGQRHR-SINXNMPMSA-N 0 1 395.459 3.793 20 10 GHCDMN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@H]1C ZINC001144308717 901702813 /nfs/dbraw/zinc/70/28/13/901702813.db2.gz UTVTYOHXCMSECD-NEPJUHHUSA-N 0 1 388.277 3.705 20 10 GHCDMN C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N2CCCCCC2)cc1 ZINC000846214900 902790585 /nfs/dbraw/zinc/79/05/85/902790585.db2.gz VIEHBQUIWFQDEJ-GOSISDBHSA-N 0 1 376.504 3.926 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccc(OCC(F)(F)F)nn2)C2CC2)cc1 ZINC000846775775 903193634 /nfs/dbraw/zinc/19/36/34/903193634.db2.gz CBDMWTTZBSIPQV-UHFFFAOYSA-N 0 1 380.414 3.648 20 10 GHCDMN CCCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC001203645839 914807514 /nfs/dbraw/zinc/80/75/14/914807514.db2.gz UAROVLUIHRCNPG-LBPRGKRZSA-N 0 1 380.286 3.870 20 10 GHCDMN CCCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)n1 ZINC001203645839 914807525 /nfs/dbraw/zinc/80/75/25/914807525.db2.gz UAROVLUIHRCNPG-LBPRGKRZSA-N 0 1 380.286 3.870 20 10 GHCDMN CCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000159983124 904463507 /nfs/dbraw/zinc/46/35/07/904463507.db2.gz MQFCSTKABHLQDY-QGZVFWFLSA-N 0 1 377.282 3.593 20 10 GHCDMN Oc1c(Br)cccc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143927 904651806 /nfs/dbraw/zinc/65/18/06/904651806.db2.gz UABLDYHYANMVBM-UHFFFAOYSA-N 0 1 384.277 3.899 20 10 GHCDMN C[C@H]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)CN1C(=O)OC(C)(C)C ZINC001173078870 906178160 /nfs/dbraw/zinc/17/81/60/906178160.db2.gz UTLBZONBBMIURV-WMLDXEAASA-N 0 1 376.497 3.634 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2Cc3ccc(O)cc3C2)C1 ZINC000628537413 906186969 /nfs/dbraw/zinc/18/69/69/906186969.db2.gz AQNVXNRNHLFTOM-UHFFFAOYSA-N 0 1 389.499 3.656 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Br)ccc1[O-] ZINC000181009550 906897544 /nfs/dbraw/zinc/89/75/44/906897544.db2.gz SLLFRYGHXRJCEM-GFCCVEGCSA-N 0 1 393.281 3.703 20 10 GHCDMN CCOc1ccc(C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C(=O)OC)cc1 ZINC000779432308 907045625 /nfs/dbraw/zinc/04/56/25/907045625.db2.gz QZLVMLVCQLKOLD-INIZCTEOSA-N 0 1 377.868 3.566 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000773411816 907235357 /nfs/dbraw/zinc/23/53/57/907235357.db2.gz AEIMBCDOWNRJDS-OAQYLSRUSA-N 0 1 395.547 3.729 20 10 GHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109138 907714764 /nfs/dbraw/zinc/71/47/64/907714764.db2.gz FZBKMNMDMWBZAY-CHWSQXEVSA-N 0 1 382.913 3.708 20 10 GHCDMN COc1c(C)cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C ZINC000192893686 908000610 /nfs/dbraw/zinc/00/06/10/908000610.db2.gz ZAEHOTORSFFSIZ-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1 ZINC000193902201 908788021 /nfs/dbraw/zinc/78/80/21/908788021.db2.gz YENJPRXBACIREL-UHFFFAOYSA-N 0 1 381.504 3.693 20 10 GHCDMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000194723951 908917049 /nfs/dbraw/zinc/91/70/49/908917049.db2.gz UKZJTAAMVKOWKY-GJZGRUSLSA-N 0 1 399.450 3.535 20 10 GHCDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000194723987 908917100 /nfs/dbraw/zinc/91/71/00/908917100.db2.gz UKZJTAAMVKOWKY-LSDHHAIUSA-N 0 1 399.450 3.535 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000195560763 909021255 /nfs/dbraw/zinc/02/12/55/909021255.db2.gz KSBQPQOLSGJVTP-OAQYLSRUSA-N 0 1 386.515 3.774 20 10 GHCDMN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154268 909992929 /nfs/dbraw/zinc/99/29/29/909992929.db2.gz PVWFHKCZDZOIHT-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154268 909992961 /nfs/dbraw/zinc/99/29/61/909992961.db2.gz PVWFHKCZDZOIHT-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN COC1CCC(OC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000774136152 911403923 /nfs/dbraw/zinc/40/39/23/911403923.db2.gz UKKZGCLZPNEQOR-UHFFFAOYSA-N 0 1 384.520 3.909 20 10 GHCDMN COC1CCC(OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000774136152 911403929 /nfs/dbraw/zinc/40/39/29/911403929.db2.gz UKKZGCLZPNEQOR-UHFFFAOYSA-N 0 1 384.520 3.909 20 10 GHCDMN Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000796363591 915036141 /nfs/dbraw/zinc/03/61/41/915036141.db2.gz PJJHMXWOJKFQAD-UHFFFAOYSA-N 0 1 389.304 3.870 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000303743958 915092263 /nfs/dbraw/zinc/09/22/63/915092263.db2.gz ZDGXGLXTXACORW-UHFFFAOYSA-N 0 1 383.511 3.762 20 10 GHCDMN CC(C)[N@H+](Cc1cccc(Br)c1[O-])C[C@H](O)COc1ccccc1 ZINC000775202061 916225922 /nfs/dbraw/zinc/22/59/22/916225922.db2.gz YXGRQUCHQUCJIU-INIZCTEOSA-N 0 1 394.309 3.805 20 10 GHCDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291907 916837050 /nfs/dbraw/zinc/83/70/50/916837050.db2.gz QURVLZJJQZXSTR-UHFFFAOYSA-N 0 1 383.853 3.558 20 10 GHCDMN CNS(=O)(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000796445735 917376866 /nfs/dbraw/zinc/37/68/66/917376866.db2.gz WAIJVEKYCXNZMH-UHFFFAOYSA-N 0 1 375.277 3.528 20 10 GHCDMN O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccncc1 ZINC001190886574 917630793 /nfs/dbraw/zinc/63/07/93/917630793.db2.gz BPIXDTCSVIYSGN-UHFFFAOYSA-N 0 1 390.823 3.906 20 10 GHCDMN CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000775501675 918415865 /nfs/dbraw/zinc/41/58/65/918415865.db2.gz JVYOCPJPYPEXTO-QGZVFWFLSA-N 0 1 397.357 3.840 20 10 GHCDMN CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775501311 918417513 /nfs/dbraw/zinc/41/75/13/918417513.db2.gz GXELNXFTSBMXLR-QGZVFWFLSA-N 0 1 383.897 3.569 20 10 GHCDMN O=C(NCCCSc1nccs1)c1cc(Br)cc2nc[nH]c21 ZINC000800490116 920177391 /nfs/dbraw/zinc/17/73/91/920177391.db2.gz AMNADWUSBRWBMH-UHFFFAOYSA-N 0 1 397.323 3.694 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000800650460 920337429 /nfs/dbraw/zinc/33/74/29/920337429.db2.gz XDDKHBZIENQCBR-NRFANRHFSA-N 0 1 395.547 3.587 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1c(O)cccc1Br ZINC001276076837 925236086 /nfs/dbraw/zinc/23/60/86/925236086.db2.gz HZGYQBIWWBGMSP-LJQANCHMSA-N 0 1 393.325 3.664 20 10 GHCDMN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276078210 925246915 /nfs/dbraw/zinc/24/69/15/925246915.db2.gz IKOGUKKSGDOMNJ-ZFWWWQNUSA-N 0 1 395.341 3.672 20 10 GHCDMN CCOCc1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1OC ZINC000749927348 927353177 /nfs/dbraw/zinc/35/31/77/927353177.db2.gz VAPYNDIISIPEIL-LJQANCHMSA-N 0 1 388.895 3.780 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000750820226 927872573 /nfs/dbraw/zinc/87/25/73/927872573.db2.gz MLUUBEDMFWCYNV-SFHVURJKSA-N 0 1 385.357 3.750 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)nc1-c1ccccc1 ZINC000751125838 928039316 /nfs/dbraw/zinc/03/93/16/928039316.db2.gz BKNHWDRTHUKTQW-UHFFFAOYSA-N 0 1 397.481 3.761 20 10 GHCDMN Cc1nc(N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)sc1C ZINC000753977381 929620245 /nfs/dbraw/zinc/62/02/45/929620245.db2.gz WNXLIMGBHPQYDV-UHFFFAOYSA-N 0 1 375.538 3.791 20 10 GHCDMN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108543 929646991 /nfs/dbraw/zinc/64/69/91/929646991.db2.gz FSFHNKXZNIRDFO-KBXCAEBGSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108543 929646998 /nfs/dbraw/zinc/64/69/98/929646998.db2.gz FSFHNKXZNIRDFO-KBXCAEBGSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108543 929647000 /nfs/dbraw/zinc/64/70/00/929647000.db2.gz FSFHNKXZNIRDFO-KBXCAEBGSA-N 0 1 394.487 3.859 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782293951 931162161 /nfs/dbraw/zinc/16/21/61/931162161.db2.gz IEALHCLNLHCLPM-AWEZNQCLSA-N 0 1 376.382 3.993 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782293951 931162166 /nfs/dbraw/zinc/16/21/66/931162166.db2.gz IEALHCLNLHCLPM-AWEZNQCLSA-N 0 1 376.382 3.993 20 10 GHCDMN CCOc1cccc(CN2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC000783728740 931633954 /nfs/dbraw/zinc/63/39/54/931633954.db2.gz RWYCTQCZERNFSM-CALCHBBNSA-N 0 1 376.497 3.765 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](c3ncc[nH]3)C3CCCCC3)cc2)C1 ZINC000796703387 932035574 /nfs/dbraw/zinc/03/55/74/932035574.db2.gz TYAIOJSRBFMBCJ-TZIWHRDSSA-N 0 1 395.551 3.523 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000797430563 932281744 /nfs/dbraw/zinc/28/17/44/932281744.db2.gz LMNUGZPHLDDREX-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN COc1ccccc1-n1nccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000797588612 932336012 /nfs/dbraw/zinc/33/60/12/932336012.db2.gz AAEBHHNQVISBMK-HXUWFJFHSA-N 0 1 393.487 3.768 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604401 932342392 /nfs/dbraw/zinc/34/23/92/932342392.db2.gz FJTHDNFUJQPWIM-GLJUWKHASA-N 0 1 384.314 3.622 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001117634039 933966968 /nfs/dbraw/zinc/96/69/68/933966968.db2.gz XMKPJTFUUXRIHS-RHSMWYFYSA-N 0 1 375.431 3.877 20 10 GHCDMN COC1CCN(c2ccc(CN(C)[C@@H]3CCN(c4ccccc4)C3=O)cc2)CC1 ZINC000828292795 935606549 /nfs/dbraw/zinc/60/65/49/935606549.db2.gz HHFAOQPWRDSERL-HSZRJFAPSA-N 0 1 393.531 3.539 20 10 GHCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c3[nH]cnc3ccc2F)cc1 ZINC001626105823 1014889759 /nfs/dbraw/zinc/88/97/59/1014889759.db2.gz HWTGRSRKBMECTG-KRWDZBQOSA-N 0 1 396.466 3.589 20 10 GHCDMN CCc1cccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c1O ZINC001597587270 988411285 /nfs/dbraw/zinc/41/12/85/988411285.db2.gz VVHHMHYBTYQXDU-UHFFFAOYSA-N 0 1 378.266 3.804 20 10 GHCDMN COc1nc(C)cc(C)c1C[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599729484 991686698 /nfs/dbraw/zinc/68/66/98/991686698.db2.gz RHVMTMMVNJMOJJ-UHFFFAOYSA-N 0 1 385.439 3.668 20 10 GHCDMN COc1nc(C)cc(C)c1C[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001599729484 991686699 /nfs/dbraw/zinc/68/66/99/991686699.db2.gz RHVMTMMVNJMOJJ-UHFFFAOYSA-N 0 1 385.439 3.668 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190907 1032330377 /nfs/dbraw/zinc/33/03/77/1032330377.db2.gz AEASKZSCQRNXRX-LIRRHRJNSA-N 0 1 395.341 3.829 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190907 1032330393 /nfs/dbraw/zinc/33/03/93/1032330393.db2.gz AEASKZSCQRNXRX-LIRRHRJNSA-N 0 1 395.341 3.829 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC001221227144 1032341387 /nfs/dbraw/zinc/34/13/87/1032341387.db2.gz DKOWTLMRGABQGE-LJQANCHMSA-N 0 1 394.563 3.779 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCCc3cccnc32)c1O ZINC001227494170 1032441010 /nfs/dbraw/zinc/44/10/10/1032441010.db2.gz RKXDIOXCYUAWTC-LBPRGKRZSA-N 0 1 391.445 3.659 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H](c2ccccc2)c2ccccn2)c1O ZINC001227621473 1032488910 /nfs/dbraw/zinc/48/89/10/1032488910.db2.gz DZDYMCGVRWEAIP-OAHLLOKOSA-N 0 1 399.424 3.590 20 10 GHCDMN C[C@H]1C[C@@H](Oc2cc(O)cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)CCO1 ZINC001227659762 1032508526 /nfs/dbraw/zinc/50/85/26/1032508526.db2.gz SUWDNQQWWOUADC-ONGXEEELSA-N 0 1 398.367 3.756 20 10 GHCDMN O=C1CCC(Oc2cc(O)cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)CC1 ZINC001227664231 1032510326 /nfs/dbraw/zinc/51/03/26/1032510326.db2.gz YJWHISBBLZDUMM-UHFFFAOYSA-N 0 1 396.351 3.700 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@]3(C)CCCC[C@H]3C)cc2F)CC1 ZINC001221805430 1032541073 /nfs/dbraw/zinc/54/10/73/1032541073.db2.gz VKGAKSUILGQFBN-VGSWGCGISA-N 0 1 390.547 3.736 20 10 GHCDMN Cc1nc(CN2CCN(Cc3ccc(O)cc3O)Cc3ccc(C)nc32)cs1 ZINC001204273714 1032715977 /nfs/dbraw/zinc/71/59/77/1032715977.db2.gz SKVWOKKONIQOBQ-UHFFFAOYSA-N 0 1 396.516 3.589 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(O)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001204273816 1032716453 /nfs/dbraw/zinc/71/64/53/1032716453.db2.gz WCFLEHFCCNOSCO-LJQANCHMSA-N 0 1 385.508 3.620 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3ccccn3)c1C2=O ZINC001227994296 1032729975 /nfs/dbraw/zinc/72/99/75/1032729975.db2.gz MJGKAYHDMUEWCR-LBPRGKRZSA-N 0 1 375.380 3.717 20 10 GHCDMN CCc1onc(C)c1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000562470492 1018187650 /nfs/dbraw/zinc/18/76/50/1018187650.db2.gz RDFMGYRIBTUWDA-UHFFFAOYSA-N 0 1 380.492 3.905 20 10 GHCDMN CCOCC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000572439336 1019776998 /nfs/dbraw/zinc/77/69/98/1019776998.db2.gz VZTIACOOAIVSNO-UHFFFAOYSA-N 0 1 385.552 3.587 20 10 GHCDMN C[C@@H](NCc1cccc(Br)n1)c1ccc(N2CCOCC2)cc1 ZINC000779440164 1020791391 /nfs/dbraw/zinc/79/13/91/1020791391.db2.gz XRFFJHIKNDMWAC-CQSZACIVSA-N 0 1 376.298 3.532 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4c(C)cccc34)CC2)cc1 ZINC001156256852 1032945657 /nfs/dbraw/zinc/94/56/57/1032945657.db2.gz KDMWRKLPLNDXGD-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246266324 1021049905 /nfs/dbraw/zinc/04/99/05/1021049905.db2.gz RLVFSFPAKVXTKV-SESVDKBCSA-N 0 1 386.536 3.554 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCc2ccccc2C1 ZINC001228518034 1032968585 /nfs/dbraw/zinc/96/85/85/1032968585.db2.gz BXWHYUOAQRFZGN-KRWDZBQOSA-N 0 1 392.407 3.676 20 10 GHCDMN Cc1ccc(OCC(=O)N2CCN(Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000748787013 1021720072 /nfs/dbraw/zinc/72/00/72/1021720072.db2.gz CLZNGBDDDXQKMZ-UHFFFAOYSA-N 0 1 390.483 3.577 20 10 GHCDMN CC(C)(C)OC(=O)N1CCOC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1 ZINC001140463241 1021753401 /nfs/dbraw/zinc/75/34/01/1021753401.db2.gz XHMXJBGWJVERGE-UHFFFAOYSA-N 0 1 396.915 3.648 20 10 GHCDMN Cc1nc(CO[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])[C@@H]3CCCO[C@H]23)cs1 ZINC001140467640 1021762119 /nfs/dbraw/zinc/76/21/19/1021762119.db2.gz TUTLGQGKPOIHGA-QRQLOZEOSA-N 0 1 394.924 3.759 20 10 GHCDMN Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])[C@@H]3CCCO[C@H]23)cs1 ZINC001140467640 1021762137 /nfs/dbraw/zinc/76/21/37/1021762137.db2.gz TUTLGQGKPOIHGA-QRQLOZEOSA-N 0 1 394.924 3.759 20 10 GHCDMN Cc1ccc([C@H](NC/C=C\c2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000835051540 1021816761 /nfs/dbraw/zinc/81/67/61/1021816761.db2.gz JNORWHCNHGIXJD-NOABYQSRSA-N 0 1 386.561 3.838 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140582856 1022003882 /nfs/dbraw/zinc/00/38/82/1022003882.db2.gz NTCBSYHUUORQKM-FQEVSTJZSA-N 0 1 382.451 3.893 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC001140583320 1022005047 /nfs/dbraw/zinc/00/50/47/1022005047.db2.gz DXYFOEFHTHCNEW-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN CN(C)c1ccc(CN2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(Cl)c1 ZINC001140926756 1022903957 /nfs/dbraw/zinc/90/39/57/1022903957.db2.gz UBHHPJKZEOAVKQ-UHFFFAOYSA-N 0 1 387.911 3.548 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756351408 1023602205 /nfs/dbraw/zinc/60/22/05/1023602205.db2.gz JUZYREPSAIUTHS-AUUYWEPGSA-N 0 1 378.875 3.909 20 10 GHCDMN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1F ZINC000756395880 1023627639 /nfs/dbraw/zinc/62/76/39/1023627639.db2.gz KFWWHFOAQWPLMO-GFCCVEGCSA-N 0 1 395.272 3.683 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000756439920 1023650796 /nfs/dbraw/zinc/65/07/96/1023650796.db2.gz ASCBUKJFOKWQHA-GOEBONIOSA-N 0 1 387.911 3.598 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756478776 1023676374 /nfs/dbraw/zinc/67/63/74/1023676374.db2.gz JKMOJNNJVYVBTH-AWEZNQCLSA-N 0 1 391.309 3.854 20 10 GHCDMN C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756590715 1023725246 /nfs/dbraw/zinc/72/52/46/1023725246.db2.gz PKMBTFFDXMQDBI-OALUTQOASA-N 0 1 390.531 3.802 20 10 GHCDMN C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1[O-] ZINC000756661124 1023761213 /nfs/dbraw/zinc/76/12/13/1023761213.db2.gz XYZPVOMIUQVQCS-SECBINFHSA-N 0 1 378.192 3.764 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(-c4ccc(F)cc4)ncn3)cc2)CC1 ZINC001156659994 1033162795 /nfs/dbraw/zinc/16/27/95/1033162795.db2.gz RKANVWWQMWJLTQ-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN Cc1nc(-c2ccccn2)nc(NCc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001156660699 1033163118 /nfs/dbraw/zinc/16/31/18/1033163118.db2.gz ZILGXZRBVHMGMZ-UHFFFAOYSA-N 0 1 388.519 3.519 20 10 GHCDMN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000756849750 1023834332 /nfs/dbraw/zinc/83/43/32/1023834332.db2.gz INQNHXLUUYRDSC-ZACQAIPSSA-N 0 1 398.503 3.961 20 10 GHCDMN Oc1ccc(O)c(CN2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001141163129 1023988735 /nfs/dbraw/zinc/98/87/35/1023988735.db2.gz QHGKVJJPOQCSHJ-UHFFFAOYSA-N 0 1 390.483 3.999 20 10 GHCDMN CN1CCCc2cc(CN3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)ccc21 ZINC001138357266 1024722029 /nfs/dbraw/zinc/72/20/29/1024722029.db2.gz PLFUEGHCIALYMN-WWPVKYPJSA-N 0 1 393.531 3.522 20 10 GHCDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC001141367824 1024741638 /nfs/dbraw/zinc/74/16/38/1024741638.db2.gz RUJZTEWPERYHCY-SNVBAGLBSA-N 0 1 386.677 3.879 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001141374820 1024766840 /nfs/dbraw/zinc/76/68/40/1024766840.db2.gz QBXZJHANGWPXBM-PEXQALLHSA-N 0 1 386.595 3.712 20 10 GHCDMN O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141374663 1024767305 /nfs/dbraw/zinc/76/73/05/1024767305.db2.gz LZPDHWNYIPQNPG-UHFFFAOYSA-N 0 1 383.673 3.510 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001141374809 1024767924 /nfs/dbraw/zinc/76/79/24/1024767924.db2.gz PXMNCZSJDGUTKZ-AOOOYVTPSA-N 0 1 382.632 3.522 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](Oc3ccc(OC)cn3)C2)c(OC)c1 ZINC001138392472 1024769562 /nfs/dbraw/zinc/76/95/62/1024769562.db2.gz XBIVJRDVXKMCAJ-FQEVSTJZSA-N 0 1 385.508 3.598 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(N(C(C)=O)C(C)C)CC2)c(OC)c1 ZINC001138392494 1024771302 /nfs/dbraw/zinc/77/13/02/1024771302.db2.gz XUNWECXYYPHCOO-UHFFFAOYSA-N 0 1 375.557 3.763 20 10 GHCDMN COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1OC ZINC001205101098 1033251845 /nfs/dbraw/zinc/25/18/45/1033251845.db2.gz MWLSDLSOIPXPMB-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN Fc1cc(CNCc2cnc(-c3ccco3)s2)cc(F)c1N1CCOCC1 ZINC000839145845 1025640833 /nfs/dbraw/zinc/64/08/33/1025640833.db2.gz UJVSDBNEZBPWQL-UHFFFAOYSA-N 0 1 391.443 3.808 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1Cl ZINC000839186895 1025701726 /nfs/dbraw/zinc/70/17/26/1025701726.db2.gz QLEXGKPYDORYTH-UHFFFAOYSA-N 0 1 375.900 3.721 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001139129431 1025941852 /nfs/dbraw/zinc/94/18/52/1025941852.db2.gz ZKRQRZRWNNKXJC-QGZVFWFLSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001139129431 1025941856 /nfs/dbraw/zinc/94/18/56/1025941856.db2.gz ZKRQRZRWNNKXJC-QGZVFWFLSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001139129431 1025941867 /nfs/dbraw/zinc/94/18/67/1025941867.db2.gz ZKRQRZRWNNKXJC-QGZVFWFLSA-N 0 1 378.472 3.513 20 10 GHCDMN CCCc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)n1 ZINC001139130719 1025942903 /nfs/dbraw/zinc/94/29/03/1025942903.db2.gz HTVCCNUUNFSPRH-CQSZACIVSA-N 0 1 383.448 3.522 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cnn(CC4CCC4)c3)cc2F)C[C@H](C)O1 ZINC001461068592 1069373852 /nfs/dbraw/zinc/37/38/52/1069373852.db2.gz WIENXWAVDVJYKR-IRXDYDNUSA-N 0 1 386.515 3.726 20 10 GHCDMN COc1nc2ccccc2cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC001461068773 1069374422 /nfs/dbraw/zinc/37/44/22/1069374422.db2.gz YBHVEICVJBCRGV-UHFFFAOYSA-N 0 1 381.451 3.509 20 10 GHCDMN CC[C@@H]1[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC[C@]12CCC(=O)N2CC1CC1 ZINC001139682086 1026537385 /nfs/dbraw/zinc/53/73/85/1026537385.db2.gz OFEOVQXJJJNFDD-RXVVDRJESA-N 0 1 378.463 3.816 20 10 GHCDMN COc1ccc(COCCC[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001461137572 1069408805 /nfs/dbraw/zinc/40/88/05/1069408805.db2.gz FGLBUSDPSZOECO-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN COC(=O)N1CCC2(CC1)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140098515 1026874251 /nfs/dbraw/zinc/87/42/51/1026874251.db2.gz CQBGKKKVVFHPJB-UHFFFAOYSA-N 0 1 397.313 3.599 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140099905 1026877920 /nfs/dbraw/zinc/87/79/20/1026877920.db2.gz YHBQFYHTDMUTEZ-LSBZLQRGSA-N 0 1 396.325 3.703 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140099905 1026877926 /nfs/dbraw/zinc/87/79/26/1026877926.db2.gz YHBQFYHTDMUTEZ-LSBZLQRGSA-N 0 1 396.325 3.703 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001140101908 1026880410 /nfs/dbraw/zinc/88/04/10/1026880410.db2.gz DDXVLXFVQFMCHO-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001140101908 1026880421 /nfs/dbraw/zinc/88/04/21/1026880421.db2.gz DDXVLXFVQFMCHO-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN Cc1cccnc1OC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC001140102162 1026882868 /nfs/dbraw/zinc/88/28/68/1026882868.db2.gz KDAWBDGYRUBTDU-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1cccnc1OC1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140102162 1026882876 /nfs/dbraw/zinc/88/28/76/1026882876.db2.gz KDAWBDGYRUBTDU-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1cccc(OC2CC[NH+](Cc3c([O-])cccc3Br)CC2)n1 ZINC001140102800 1026883830 /nfs/dbraw/zinc/88/38/30/1026883830.db2.gz ZKZLSYHJNFVKQQ-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1cccc(OC2CCN(Cc3c(O)cccc3Br)CC2)n1 ZINC001140102800 1026883834 /nfs/dbraw/zinc/88/38/34/1026883834.db2.gz ZKZLSYHJNFVKQQ-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565275 1027436366 /nfs/dbraw/zinc/43/63/66/1027436366.db2.gz YRMIIYUICCNRHO-ZJUUUORDSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203575210 1027443496 /nfs/dbraw/zinc/44/34/96/1027443496.db2.gz GNTMHHRPZFCSMR-HOTGVXAUSA-N 0 1 378.303 3.658 20 10 GHCDMN O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575743 1027445212 /nfs/dbraw/zinc/44/52/12/1027445212.db2.gz ZFMGBELBDYIQKI-IBGZPJMESA-N 0 1 383.319 3.924 20 10 GHCDMN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203577247 1027445673 /nfs/dbraw/zinc/44/56/73/1027445673.db2.gz AUXHJWCVCNLYRR-OKILXGFUSA-N 0 1 397.327 3.965 20 10 GHCDMN CCOc1cccc(CN2Cc3c(cnn3CC)[C@H](COCC3CC3)C2)c1O ZINC001203603433 1027467764 /nfs/dbraw/zinc/46/77/64/1027467764.db2.gz PCAYYWFYGGRCJU-SFHVURJKSA-N 0 1 385.508 3.533 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c(O)c1 ZINC001203629443 1027489982 /nfs/dbraw/zinc/48/99/82/1027489982.db2.gz KQHNRHYLMAEONE-RBBKRZOGSA-N 0 1 375.509 3.731 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2Cc2cc(Br)ccc2O)C1 ZINC001203639498 1027497424 /nfs/dbraw/zinc/49/74/24/1027497424.db2.gz DGYQJQBKSXMDJJ-ZFWWWQNUSA-N 0 1 397.313 3.596 20 10 GHCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840483437 1027567752 /nfs/dbraw/zinc/56/77/52/1027567752.db2.gz KHHAHVYEIQBTSF-IMJJTQAJSA-N 0 1 386.544 3.684 20 10 GHCDMN CN(C)c1ccc(CN2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)cc1 ZINC001203932115 1027724256 /nfs/dbraw/zinc/72/42/56/1027724256.db2.gz SGSORIVNLJLWRW-ZJSXRUAMSA-N 0 1 395.547 3.736 20 10 GHCDMN CCN(CC)c1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1 ZINC001203938872 1027732446 /nfs/dbraw/zinc/73/24/46/1027732446.db2.gz JKLXMMHBWHYNCA-YMPZKCBVSA-N 0 1 395.547 3.986 20 10 GHCDMN COC(=O)c1csc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840757555 1027795747 /nfs/dbraw/zinc/79/57/47/1027795747.db2.gz LLNNZVGDEHLHLW-LBPRGKRZSA-N 0 1 396.459 3.500 20 10 GHCDMN COC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000840760427 1027798968 /nfs/dbraw/zinc/79/89/68/1027798968.db2.gz XSPXFABHUWKYSW-IBGZPJMESA-N 0 1 396.865 3.932 20 10 GHCDMN Fc1ccc2c(c1)[C@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCCO2 ZINC000840760101 1027799097 /nfs/dbraw/zinc/79/90/97/1027799097.db2.gz RHLFSDURTXSTBG-LJQANCHMSA-N 0 1 392.421 3.944 20 10 GHCDMN CC(C)[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000840760534 1027800450 /nfs/dbraw/zinc/80/04/50/1027800450.db2.gz ZNNMDGVORDANKA-LJQANCHMSA-N 0 1 379.426 3.822 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cc(Br)ccc1[O-] ZINC000840807823 1027846946 /nfs/dbraw/zinc/84/69/46/1027846946.db2.gz CICFVUYHRAHZOS-KSSFIOAISA-N 0 1 394.309 3.980 20 10 GHCDMN COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000840808376 1027847867 /nfs/dbraw/zinc/84/78/67/1027847867.db2.gz KBOOEANEBSWFRA-JSGCOSHPSA-N 0 1 380.282 3.590 20 10 GHCDMN Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000841300998 1028392935 /nfs/dbraw/zinc/39/29/35/1028392935.db2.gz YYGQEJQLZLREIU-QGZVFWFLSA-N 0 1 378.398 3.684 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001142418168 1028861781 /nfs/dbraw/zinc/86/17/81/1028861781.db2.gz ALEIKBFBCDLQJY-WMZHIEFXSA-N 0 1 379.548 3.773 20 10 GHCDMN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841743555 1028905411 /nfs/dbraw/zinc/90/54/11/1028905411.db2.gz AYJIJKIVAIWTPF-AWEZNQCLSA-N 0 1 396.940 3.925 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744280 1028906314 /nfs/dbraw/zinc/90/63/14/1028906314.db2.gz GSTKNKCUBVAFOS-CQSZACIVSA-N 0 1 396.940 3.724 20 10 GHCDMN C[C@@H](c1ccccc1)n1cc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000842740431 1029546709 /nfs/dbraw/zinc/54/67/09/1029546709.db2.gz QMFVSKFHYWBRQV-IBGZPJMESA-N 0 1 375.520 3.856 20 10 GHCDMN c1cn2cccc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)c2n1 ZINC001142962322 1029732998 /nfs/dbraw/zinc/73/29/98/1029732998.db2.gz HFGJRDNXPLDNHF-UHFFFAOYSA-N 0 1 399.498 3.631 20 10 GHCDMN Nc1ccc(N(C(=O)c2noc3c2CNCC3)c2ccc3ccccc3c2N)cc1 ZINC001219481175 1031448916 /nfs/dbraw/zinc/44/89/16/1031448916.db2.gz YMCKEEIDWWZVDZ-UHFFFAOYSA-N 0 1 399.454 3.616 20 10 GHCDMN CC[N@H+]1CC[C@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414266 1033469549 /nfs/dbraw/zinc/46/95/49/1033469549.db2.gz LJKYLJYKFVQWOP-CVTQAYBASA-N 0 1 391.449 3.527 20 10 GHCDMN CCC[C@@H](Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21)[C@H](C)CC ZINC001229772871 1033702788 /nfs/dbraw/zinc/70/27/88/1033702788.db2.gz IOFRFIYDCNLUJK-NOZJJQNGSA-N 0 1 390.388 3.610 20 10 GHCDMN CCCC[C@@H](CCC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229777854 1033706686 /nfs/dbraw/zinc/70/66/86/1033706686.db2.gz VIXRCJMNQPHMGE-SNVBAGLBSA-N 0 1 390.388 3.754 20 10 GHCDMN C[C@@H](CN(C)C)Oc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)C3 ZINC001230173903 1033930843 /nfs/dbraw/zinc/93/08/43/1033930843.db2.gz IPPIGVGSCJFEJP-KBPBESRZSA-N 0 1 391.467 3.556 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231454106 1034598627 /nfs/dbraw/zinc/59/86/27/1034598627.db2.gz NOECDTLVFUUNCW-XKQJLSEDSA-N 0 1 375.465 3.565 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001231851597 1034942909 /nfs/dbraw/zinc/94/29/09/1034942909.db2.gz KBFIJLCGFLTRPR-INIZCTEOSA-N 0 1 377.529 3.593 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001231853850 1034944447 /nfs/dbraw/zinc/94/44/47/1034944447.db2.gz RWEPSTURBRWOAF-UHFFFAOYSA-N 0 1 389.540 3.594 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)cc1Cl ZINC001231868845 1034955350 /nfs/dbraw/zinc/95/53/50/1034955350.db2.gz XUNQQHGAVJMALH-DYESRHJHSA-N 0 1 394.943 3.640 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)cc1Cl ZINC001231868845 1034955356 /nfs/dbraw/zinc/95/53/56/1034955356.db2.gz XUNQQHGAVJMALH-DYESRHJHSA-N 0 1 394.943 3.640 20 10 GHCDMN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)ccc2ccccc21 ZINC001231881707 1034966033 /nfs/dbraw/zinc/96/60/33/1034966033.db2.gz ZCSOUWUBVHOCDR-YKSBVNFPSA-N 0 1 390.483 3.606 20 10 GHCDMN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)ccc2ccccc21 ZINC001231881707 1034966035 /nfs/dbraw/zinc/96/60/35/1034966035.db2.gz ZCSOUWUBVHOCDR-YKSBVNFPSA-N 0 1 390.483 3.606 20 10 GHCDMN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc2ccccc2c1O ZINC001231883202 1034966503 /nfs/dbraw/zinc/96/65/03/1034966503.db2.gz MFYJLZSMJDCCHG-UHFFFAOYSA-N 0 1 399.535 3.530 20 10 GHCDMN C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc2ccccc2c1[O-] ZINC001231883202 1034966505 /nfs/dbraw/zinc/96/65/05/1034966505.db2.gz MFYJLZSMJDCCHG-UHFFFAOYSA-N 0 1 399.535 3.530 20 10 GHCDMN C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc2ccccc2c1[O-] ZINC001231883202 1034966512 /nfs/dbraw/zinc/96/65/12/1034966512.db2.gz MFYJLZSMJDCCHG-UHFFFAOYSA-N 0 1 399.535 3.530 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4c3cccc4OC)CC2)cc1 ZINC001231897881 1034975688 /nfs/dbraw/zinc/97/56/88/1034975688.db2.gz VFDMKVKZABPZSC-UHFFFAOYSA-N 0 1 395.503 3.524 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001231912227 1034987049 /nfs/dbraw/zinc/98/70/49/1034987049.db2.gz XTDFODSDKRJJGJ-UHFFFAOYSA-N 0 1 380.879 3.858 20 10 GHCDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231912840 1034987202 /nfs/dbraw/zinc/98/72/02/1034987202.db2.gz BBKQILVNEONDFP-OAHLLOKOSA-N 0 1 384.904 3.503 20 10 GHCDMN Cc1cc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)cc(C)n1 ZINC001232005440 1035038072 /nfs/dbraw/zinc/03/80/72/1035038072.db2.gz WVQHHOMRCLYMAR-UHFFFAOYSA-N 0 1 388.515 3.995 20 10 GHCDMN O=C1CCC2(CC1)CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)CC2 ZINC001232202254 1035158678 /nfs/dbraw/zinc/15/86/78/1035158678.db2.gz WOUZLVIJUUVONJ-UHFFFAOYSA-N 0 1 376.928 3.902 20 10 GHCDMN COc1cc(O)c(C[N@@H+](C)Cc2cccs2)cc1I ZINC001248469597 1035899121 /nfs/dbraw/zinc/89/91/21/1035899121.db2.gz QZWNTXDMINATEK-UHFFFAOYSA-N 0 1 389.258 3.699 20 10 GHCDMN COc1cc([O-])c(C[N@H+](C)Cc2cccs2)cc1I ZINC001248469597 1035899144 /nfs/dbraw/zinc/89/91/44/1035899144.db2.gz QZWNTXDMINATEK-UHFFFAOYSA-N 0 1 389.258 3.699 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)Cc2cccs2)cc1I ZINC001248469597 1035899168 /nfs/dbraw/zinc/89/91/68/1035899168.db2.gz QZWNTXDMINATEK-UHFFFAOYSA-N 0 1 389.258 3.699 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001248881808 1036221164 /nfs/dbraw/zinc/22/11/64/1036221164.db2.gz AGIVFWOPXFWTLP-NRFANRHFSA-N 0 1 386.927 3.988 20 10 GHCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001248881808 1036221176 /nfs/dbraw/zinc/22/11/76/1036221176.db2.gz AGIVFWOPXFWTLP-NRFANRHFSA-N 0 1 386.927 3.988 20 10 GHCDMN COc1ccc(OC2CCN(Cc3cc(Cl)c(OC)cc3O)CC2)nc1 ZINC001232271554 1037995712 /nfs/dbraw/zinc/99/57/12/1037995712.db2.gz WMSNDCAUMPXIQZ-UHFFFAOYSA-N 0 1 378.856 3.501 20 10 GHCDMN COc1cc(OC2CCN(Cc3cc(Cl)c(OC)cc3O)CC2)ccn1 ZINC001232271568 1037997640 /nfs/dbraw/zinc/99/76/40/1037997640.db2.gz XELHJFVMDLYGAC-UHFFFAOYSA-N 0 1 378.856 3.501 20 10 GHCDMN CCN(Cc1c2ccccc2n(C)c1C(=O)OC)Cc1ccc2c(c1)OCO2 ZINC001232403806 1038187101 /nfs/dbraw/zinc/18/71/01/1038187101.db2.gz DLXVKAUMHNXNRZ-UHFFFAOYSA-N 0 1 380.444 3.716 20 10 GHCDMN Cc1nc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1Br ZINC001232666761 1038461564 /nfs/dbraw/zinc/46/15/64/1038461564.db2.gz JZNSEXLITYUFFI-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN Oc1ccc(/C=C/c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1O ZINC001247980845 1038524140 /nfs/dbraw/zinc/52/41/40/1038524140.db2.gz ADJSWVKUMSKIFK-NRKDHPQSSA-N 0 1 376.416 3.780 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3cnc(OC)c4ccccc34)CC2)cc1 ZINC001232951088 1038729493 /nfs/dbraw/zinc/72/94/93/1038729493.db2.gz UPDHOKLGEZHPSA-UHFFFAOYSA-N 0 1 377.488 3.964 20 10 GHCDMN Oc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(O)c1O ZINC001233012497 1038768542 /nfs/dbraw/zinc/76/85/42/1038768542.db2.gz JDEBFUCLCQGSJA-UHFFFAOYSA-N 0 1 390.483 3.711 20 10 GHCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001233029040 1038780932 /nfs/dbraw/zinc/78/09/32/1038780932.db2.gz YLBJSICFXZPAQY-ZDUSSCGKSA-N 0 1 386.183 3.573 20 10 GHCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001233029040 1038780942 /nfs/dbraw/zinc/78/09/42/1038780942.db2.gz YLBJSICFXZPAQY-ZDUSSCGKSA-N 0 1 386.183 3.573 20 10 GHCDMN Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(F)c(F)c4[O-])C3)CC2=O)s1 ZINC001233077676 1038840882 /nfs/dbraw/zinc/84/08/82/1038840882.db2.gz SODRZFBRPUAEOD-IBGZPJMESA-N 0 1 378.444 3.669 20 10 GHCDMN COc1cccnc1O[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC001233111686 1038902037 /nfs/dbraw/zinc/90/20/37/1038902037.db2.gz TWZVOEWDAORKSG-HNNXBMFYSA-N 0 1 393.281 3.520 20 10 GHCDMN 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OFNMGADQNQWLOZ-UHFFFAOYSA-N 0 1 377.843 3.849 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001237811803 1042381588 /nfs/dbraw/zinc/38/15/88/1042381588.db2.gz CKAVVVTXSMLDKR-LIRRHRJNSA-N 0 1 396.821 3.531 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001237815478 1042383056 /nfs/dbraw/zinc/38/30/56/1042383056.db2.gz YKKGGOOTOHLYEI-UHFFFAOYSA-N 0 1 389.780 3.921 20 10 GHCDMN Cn1ccc(C[N@H+]2CCCC23CCN(Cc2cc(F)c(Cl)cc2O)CC3)n1 ZINC001237936081 1042427203 /nfs/dbraw/zinc/42/72/03/1042427203.db2.gz GJMYMUFVHIRPTA-UHFFFAOYSA-N 0 1 392.906 3.549 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cc(F)cc(C)c1O)C2 ZINC001238060897 1042478822 /nfs/dbraw/zinc/47/88/22/1042478822.db2.gz KXZAZZXRBSQVPZ-UHFFFAOYSA-N 0 1 392.478 3.961 20 10 GHCDMN CN1CCN(c2ccccc2-c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256988535 1043787496 /nfs/dbraw/zinc/78/74/96/1043787496.db2.gz XRFYZRXJWLWPEX-UHFFFAOYSA-N 0 1 385.471 3.946 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(\C)c3ccccc3C)cc2F)CC1 ZINC001293087188 1044016172 /nfs/dbraw/zinc/01/61/72/1044016172.db2.gz DKNSWDBOYAVSSA-XDJHFCHBSA-N 0 1 395.522 3.996 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)c1cccc2cnccc21 ZINC001259158336 1044983926 /nfs/dbraw/zinc/98/39/26/1044983926.db2.gz AUXBIJBCASBEPV-UHFFFAOYSA-N 0 1 389.436 3.662 20 10 GHCDMN Cn1ccnc1[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC001263826548 1047156522 /nfs/dbraw/zinc/15/65/22/1047156522.db2.gz HWRMPHPFDLJMKI-LLVKDONJSA-N 0 1 397.184 3.535 20 10 GHCDMN O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279971667 1048021257 /nfs/dbraw/zinc/02/12/57/1048021257.db2.gz HLQDPGMSQQJTGG-CULMDFNYSA-N 0 1 395.290 3.519 20 10 GHCDMN C[S@@](=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000751150933 1048860153 /nfs/dbraw/zinc/86/01/53/1048860153.db2.gz BCVGBMXWQYYOCT-HHHXNRCGSA-N 0 1 387.505 3.612 20 10 GHCDMN C[C@H]1CCc2sc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2C1 ZINC001288330156 1049044702 /nfs/dbraw/zinc/04/47/02/1049044702.db2.gz JNNOGSZFSUZVSG-INIZCTEOSA-N 0 1 383.561 3.555 20 10 GHCDMN Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)s2)o1 ZINC001288334849 1049048655 /nfs/dbraw/zinc/04/86/55/1049048655.db2.gz RXGFHVHLSQOGKA-UHFFFAOYSA-N 0 1 395.528 3.998 20 10 GHCDMN CCOc1ccc(N2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC001307599620 1049439049 /nfs/dbraw/zinc/43/90/49/1049439049.db2.gz NGCBXVSHKGEKDA-UHFFFAOYSA-N 0 1 387.911 3.890 20 10 GHCDMN Cc1cccc(N2CCN(CCC[NH2+]Cc3c([O-])cc(C)cc3Cl)CC2)c1 ZINC001308188466 1049905798 /nfs/dbraw/zinc/90/57/98/1049905798.db2.gz ISDOKPJPSLCWAC-UHFFFAOYSA-N 0 1 387.955 3.964 20 10 GHCDMN COc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1 ZINC001308353386 1049956311 /nfs/dbraw/zinc/95/63/11/1049956311.db2.gz OKKJKXWJRCDQQK-SFHVURJKSA-N 0 1 389.496 3.710 20 10 GHCDMN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC001308469868 1049983596 /nfs/dbraw/zinc/98/35/96/1049983596.db2.gz YNHLCCXMHGRJKY-HNNXBMFYSA-N 0 1 391.309 3.527 20 10 GHCDMN CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1O ZINC001328200049 1050436406 /nfs/dbraw/zinc/43/64/06/1050436406.db2.gz CJYUHZVRYJKXDA-HIFRSBDPSA-N 0 1 384.295 3.579 20 10 GHCDMN CCOc1ccc(N2CCN(CC[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC001328393349 1050493823 /nfs/dbraw/zinc/49/38/23/1050493823.db2.gz GJKYNNCLMPLGGE-NRFANRHFSA-N 0 1 397.544 3.710 20 10 GHCDMN COC(=O)[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)Cc2ccccc21 ZINC001335128082 1052039746 /nfs/dbraw/zinc/03/97/46/1052039746.db2.gz QBNGVSWBSUWRKK-QHCPKHFHSA-N 0 1 394.515 3.574 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])[NH+]2CCCC2)cc1 ZINC001311766142 1052384227 /nfs/dbraw/zinc/38/42/27/1052384227.db2.gz QYIIDMHUHPJPOZ-LJQANCHMSA-N 0 1 387.911 3.990 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)cc2)CC1 ZINC001313211063 1052986160 /nfs/dbraw/zinc/98/61/60/1052986160.db2.gz MCNZGUPJZQSFNK-NHCUHLMSSA-N 0 1 386.584 3.843 20 10 GHCDMN COc1ccccc1C1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001339154252 1058983904 /nfs/dbraw/zinc/98/39/04/1058983904.db2.gz FELHHJYYAPBWFG-UHFFFAOYSA-N 0 1 383.511 3.755 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001457149119 1062990709 /nfs/dbraw/zinc/99/07/09/1062990709.db2.gz KDMUHMCLTZWQDN-KRWDZBQOSA-N 0 1 377.492 3.646 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(F)(F)C(F)(F)C2)C1 ZINC001460814974 1069197606 /nfs/dbraw/zinc/19/76/06/1069197606.db2.gz LBTPZRMXYNWUIK-UHFFFAOYSA-N 0 1 397.416 3.521 20 10 GHCDMN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc(Cl)c1[O-])[NH+](C)C ZINC001478601082 1078930817 /nfs/dbraw/zinc/93/08/17/1078930817.db2.gz AALUGGCOZBTUQN-KBXCAEBGSA-N 0 1 375.900 3.845 20 10 GHCDMN CCN(CC)[C@H](C(=O)NCc1cc(O)ccc1O)c1cccc(C(F)(F)F)c1 ZINC001471661575 1073171780 /nfs/dbraw/zinc/17/17/80/1073171780.db2.gz TURNQSRGNLIOQP-SFHVURJKSA-N 0 1 396.409 3.816 20 10 GHCDMN COc1ccc(N2CCCN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC001473114837 1073786914 /nfs/dbraw/zinc/78/69/14/1073786914.db2.gz HXXUTEJKGWKMDG-OAQYLSRUSA-N 0 1 399.922 3.666 20 10 GHCDMN Cc1cc(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)ccc1N(C)C ZINC001473157684 1073815550 /nfs/dbraw/zinc/81/55/50/1073815550.db2.gz LIFBXWJWVGJFEA-QFIPXVFZSA-N 0 1 387.955 3.566 20 10 GHCDMN CC[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC001479389331 1079194655 /nfs/dbraw/zinc/19/46/55/1079194655.db2.gz ZMBGNMHFVWGMIN-SNVBAGLBSA-N 0 1 391.295 3.866 20 10 GHCDMN Cc1cccc(C(=O)N2CCCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001474401837 1074388424 /nfs/dbraw/zinc/38/84/24/1074388424.db2.gz CULCJLVDMLIUNM-VMPITWQZSA-N 0 1 377.532 3.922 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN1CCn2nc(C(F)(F)F)cc2C1 ZINC001474733938 1074538674 /nfs/dbraw/zinc/53/86/74/1074538674.db2.gz ZDWPDMFGSMWPTJ-UHFFFAOYSA-N 0 1 394.166 3.525 20 10 GHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000740095639 600125297 /nfs/dbraw/zinc/12/52/97/600125297.db2.gz CYWSSIQIAQXFFV-FQEVSTJZSA-N 0 1 381.403 3.956 20 10 GHCDMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1C1CC1 ZINC000255573731 834790465 /nfs/dbraw/zinc/79/04/65/834790465.db2.gz GEHSXLPMLSIBOO-KXBFYZLASA-N 0 1 391.475 3.782 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000176990585 835435272 /nfs/dbraw/zinc/43/52/72/835435272.db2.gz ZAQMNMLKIYUULU-UHFFFAOYSA-N 0 1 384.867 3.671 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(Cl)ccc1[O-] ZINC000376067908 836744875 /nfs/dbraw/zinc/74/48/75/836744875.db2.gz NWXKMMAYUGQYBZ-NSHDSACASA-N 0 1 382.291 3.983 20 10 GHCDMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255902497 837065025 /nfs/dbraw/zinc/06/50/25/837065025.db2.gz DYPGGTWWYCZPPG-GOSISDBHSA-N 0 1 393.491 3.841 20 10 GHCDMN CCN(CC)c1ccc(CNCc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000892615509 837135825 /nfs/dbraw/zinc/13/58/25/837135825.db2.gz RWSLCIXWLIQZQG-UHFFFAOYSA-N 0 1 385.512 3.960 20 10 GHCDMN CC[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Br)ccc1[O-] ZINC000177358439 837932572 /nfs/dbraw/zinc/93/25/72/837932572.db2.gz XQVGAQFDKCJTLS-UHFFFAOYSA-N 0 1 387.281 3.758 20 10 GHCDMN CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Br)ccc1[O-] ZINC000177358439 837932577 /nfs/dbraw/zinc/93/25/77/837932577.db2.gz XQVGAQFDKCJTLS-UHFFFAOYSA-N 0 1 387.281 3.758 20 10 GHCDMN Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)cc3[O-])CC2)n[nH]1 ZINC000275878985 839504486 /nfs/dbraw/zinc/50/44/86/839504486.db2.gz KSISDTSUEXQIAW-GFCCVEGCSA-N 0 1 379.302 3.506 20 10 GHCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CN1Cc1ccccc1 ZINC000398115216 839853631 /nfs/dbraw/zinc/85/36/31/839853631.db2.gz FHXBZCCTUWZYMS-KSSFIOAISA-N 0 1 375.310 3.907 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc2ccccc2c1[O-] ZINC000185288206 840185977 /nfs/dbraw/zinc/18/59/77/840185977.db2.gz OZXDQSIABSXXGG-MRXNPFEDSA-N 0 1 396.512 3.936 20 10 GHCDMN CN(C)c1ccc([C@@H](CNCc2nccn2C2CC2)NC(=O)OC(C)(C)C)cc1 ZINC000893293344 840488070 /nfs/dbraw/zinc/48/80/70/840488070.db2.gz VEXXZSCYRCFURU-LJQANCHMSA-N 0 1 399.539 3.640 20 10 GHCDMN COC(=O)c1ccc2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2c1 ZINC001167441825 840581969 /nfs/dbraw/zinc/58/19/69/840581969.db2.gz WFXWHBPFAMVVNI-UHFFFAOYSA-N 0 1 389.499 3.990 20 10 GHCDMN Cc1cc(C)c(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000581710405 842071544 /nfs/dbraw/zinc/07/15/44/842071544.db2.gz GLUKSWSZMGCVJF-UHFFFAOYSA-N 0 1 390.531 3.736 20 10 GHCDMN CCCCNC(=O)C1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCCCC1 ZINC001167828901 842122383 /nfs/dbraw/zinc/12/23/83/842122383.db2.gz FKAGODTUFGIHRQ-UHFFFAOYSA-N 0 1 380.916 3.957 20 10 GHCDMN O=C(c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1)N1CCC(O)CC1 ZINC000280690831 846491998 /nfs/dbraw/zinc/49/19/98/846491998.db2.gz ONHOXKJBABKUIL-UHFFFAOYSA-N 0 1 395.286 3.908 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c[nH]nc3c2)C1 ZINC000443915262 862186866 /nfs/dbraw/zinc/18/68/66/862186866.db2.gz VGIOTMSVGULDEU-UHFFFAOYSA-N 0 1 387.487 3.923 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCc3ncccc32)C1 ZINC000443915362 862187045 /nfs/dbraw/zinc/18/70/45/862187045.db2.gz VTEFDJDCGDHYQE-UHFFFAOYSA-N 0 1 388.515 3.782 20 10 GHCDMN Cc1ncsc1CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435875291 850949905 /nfs/dbraw/zinc/94/99/05/850949905.db2.gz CEKNHJQKQUWXOH-UHFFFAOYSA-N 0 1 396.560 3.831 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSCC[C@H]2C)C1 ZINC000435972982 851048127 /nfs/dbraw/zinc/04/81/27/851048127.db2.gz PPMOTGNPCOLBJM-QGZVFWFLSA-N 0 1 385.577 3.762 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC/C=C/c2cccnc2)C1 ZINC000615218083 851280612 /nfs/dbraw/zinc/28/06/12/851280612.db2.gz FCQOJCCAYIBPKI-SOFGYWHQSA-N 0 1 388.515 3.632 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(C(F)F)c3)cc2F)CC1 ZINC000171520213 862346263 /nfs/dbraw/zinc/34/62/63/862346263.db2.gz PNMSZZCNDNTBSH-UHFFFAOYSA-N 0 1 391.437 3.835 20 10 GHCDMN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1Cl ZINC000765977911 859127192 /nfs/dbraw/zinc/12/71/92/859127192.db2.gz KKTBRPGWWPVGJR-AWEZNQCLSA-N 0 1 396.915 3.565 20 10 GHCDMN CN(Cc1cccc(Br)c1[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000761220716 859519152 /nfs/dbraw/zinc/51/91/52/859519152.db2.gz JRWQSZGINMULKT-UHFFFAOYSA-N 0 1 379.298 3.732 20 10 GHCDMN COCCN1CCC[C@@H](NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000729979359 860481819 /nfs/dbraw/zinc/48/18/19/860481819.db2.gz DANMHAPZZWVPFZ-GOSISDBHSA-N 0 1 389.927 3.588 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C\Sc3ccccc3)cc2F)CC1 ZINC000730194256 860937176 /nfs/dbraw/zinc/93/71/76/860937176.db2.gz DAAHELXFVJTUBJ-GDNBJRDFSA-N 0 1 399.535 3.890 20 10 GHCDMN C[C@@H](NCc1ccc(Br)cn1)c1ccc(N2CCOCC2)cc1 ZINC000733798653 863190589 /nfs/dbraw/zinc/19/05/89/863190589.db2.gz XUZMFRIQORAACX-CQSZACIVSA-N 0 1 376.298 3.532 20 10 GHCDMN COc1ccc(N2CCCN(Cc3ccnn3-c3ccccc3C)CC2)cc1 ZINC000792793534 881670745 /nfs/dbraw/zinc/67/07/45/881670745.db2.gz VYMWQHCSEIHGFJ-UHFFFAOYSA-N 0 1 376.504 3.902 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCS[C@H](C)CC2)C1 ZINC000444279997 863808180 /nfs/dbraw/zinc/80/81/80/863808180.db2.gz HKUUWCKSJCQRSV-QGZVFWFLSA-N 0 1 385.577 3.762 20 10 GHCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897158220 864675155 /nfs/dbraw/zinc/67/51/55/864675155.db2.gz WUHWZIYKILEQRJ-CYBMUJFWSA-N 0 1 397.500 3.663 20 10 GHCDMN Cc1cc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccn1 ZINC000856934148 881868825 /nfs/dbraw/zinc/86/88/25/881868825.db2.gz BDJNXHKECCFZKE-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN CCN1CCN(c2ccc(CNc3c(F)c(F)nc(F)c3F)cc2F)CC1 ZINC000301618973 865460586 /nfs/dbraw/zinc/46/05/86/865460586.db2.gz WUSMMJFRPLLGRN-UHFFFAOYSA-N 0 1 386.368 3.531 20 10 GHCDMN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738119500 865494963 /nfs/dbraw/zinc/49/49/63/865494963.db2.gz DCPRRKIBKDEFEO-UHFFFAOYSA-N 0 1 379.435 3.930 20 10 GHCDMN CN(C)c1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c(C(F)(F)F)c1 ZINC000793023211 881898895 /nfs/dbraw/zinc/89/88/95/881898895.db2.gz WNJCQGMKTRAFJH-GOSISDBHSA-N 0 1 383.458 3.795 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCc2ccco2)C1 ZINC000620365488 866701771 /nfs/dbraw/zinc/70/17/71/866701771.db2.gz IRYWDHDRYJWCIE-UHFFFAOYSA-N 0 1 379.504 3.750 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000793191432 882007125 /nfs/dbraw/zinc/00/71/25/882007125.db2.gz KQASRUCEGBALGL-DOMZBBRYSA-N 0 1 384.364 3.907 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cnc4ccsc4c3)cc2F)CC1 ZINC000741926018 866913075 /nfs/dbraw/zinc/91/30/75/866913075.db2.gz ARZGNWMLCCQBQF-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(C(C)C)c(C)cc2O)cc1 ZINC000743392279 868150173 /nfs/dbraw/zinc/15/01/73/868150173.db2.gz FUBAGEJVXPNPKB-UHFFFAOYSA-N 0 1 390.549 3.543 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000743870921 868467966 /nfs/dbraw/zinc/46/79/66/868467966.db2.gz HLXPLOQBEPXUDS-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000743870921 868467969 /nfs/dbraw/zinc/46/79/69/868467969.db2.gz HLXPLOQBEPXUDS-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN Cc1c(F)cccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857472565 882286052 /nfs/dbraw/zinc/28/60/52/882286052.db2.gz LSUHUPUJHBWTNS-INIZCTEOSA-N 0 1 376.859 3.888 20 10 GHCDMN CCc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857473422 882287412 /nfs/dbraw/zinc/28/74/12/882287412.db2.gz YMOMLSLHQFGBCO-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN CCc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000857473422 882287419 /nfs/dbraw/zinc/28/74/19/882287419.db2.gz YMOMLSLHQFGBCO-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN CCc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000857473422 882287428 /nfs/dbraw/zinc/28/74/28/882287428.db2.gz YMOMLSLHQFGBCO-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN COc1ccc(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000745947092 869898794 /nfs/dbraw/zinc/89/87/94/869898794.db2.gz SLCNQBIWSSHWPC-UHFFFAOYSA-N 0 1 395.547 3.599 20 10 GHCDMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000920866500 882425605 /nfs/dbraw/zinc/42/56/05/882425605.db2.gz FJPWZSPNOUTZFH-DOTOQJQBSA-N 0 1 397.519 3.593 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000775555677 870796854 /nfs/dbraw/zinc/79/68/54/870796854.db2.gz OBQCXEVWXPMDRB-SFHVURJKSA-N 0 1 394.924 3.826 20 10 GHCDMN COC(=O)c1sc2c(c1NC(=O)c1cc(O)c(O)c(Cl)c1)CCCC2 ZINC001193604908 871210879 /nfs/dbraw/zinc/21/08/79/871210879.db2.gz AHBCFZYYVNHBCZ-UHFFFAOYSA-N 0 1 381.837 3.730 20 10 GHCDMN CC[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000775648014 872274320 /nfs/dbraw/zinc/27/43/20/872274320.db2.gz MGJCQUUTSULVNG-NSHDSACASA-N 0 1 379.092 3.528 20 10 GHCDMN C[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cc(Br)ccc1O ZINC000857874863 882603388 /nfs/dbraw/zinc/60/33/88/882603388.db2.gz CEZKNBHEQOACQL-PIGZYNQJSA-N 0 1 375.266 3.519 20 10 GHCDMN OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775689386 872934485 /nfs/dbraw/zinc/93/44/85/872934485.db2.gz HRMFZNWCAZEKIB-SFHVURJKSA-N 0 1 399.293 3.689 20 10 GHCDMN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775727115 873225680 /nfs/dbraw/zinc/22/56/80/873225680.db2.gz JBVCQCLQBREWHX-HNNXBMFYSA-N 0 1 391.748 3.948 20 10 GHCDMN CCN(Cc1ccccc1Br)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441218 873305146 /nfs/dbraw/zinc/30/51/46/873305146.db2.gz XHSHQPSYLIYVSG-QGZVFWFLSA-N 0 1 378.266 3.603 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858011465 882715119 /nfs/dbraw/zinc/71/51/19/882715119.db2.gz OPOMUXBGZKHEPS-HNNXBMFYSA-N 0 1 393.281 3.520 20 10 GHCDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]2C1 ZINC001197176307 873638926 /nfs/dbraw/zinc/63/89/26/873638926.db2.gz QMMMAFZPMMKHSI-MOZSJKAESA-N 0 1 384.505 3.817 20 10 GHCDMN COc1cccc(O)c1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000769210942 873891592 /nfs/dbraw/zinc/89/15/92/873891592.db2.gz PQZMXDUKLDHLGS-UHFFFAOYSA-N 0 1 389.883 3.794 20 10 GHCDMN COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(Br)c1[O-] ZINC000769400408 874020857 /nfs/dbraw/zinc/02/08/57/874020857.db2.gz UEMHNHWSANINIE-UHFFFAOYSA-N 0 1 394.265 3.532 20 10 GHCDMN Oc1c(Br)cccc1CN1CCN(c2cccc(F)c2F)CC1 ZINC000769424443 874046637 /nfs/dbraw/zinc/04/66/37/874046637.db2.gz AYKXGTOXTJIHSK-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c(O)c1 ZINC000769528821 874135472 /nfs/dbraw/zinc/13/54/72/874135472.db2.gz ZQRFAFLHESLVGG-KRWDZBQOSA-N 0 1 380.282 3.719 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCCc2c1cnn2C ZINC000769536889 874140885 /nfs/dbraw/zinc/14/08/85/874140885.db2.gz FLCSTBDUTXAWML-SFHVURJKSA-N 0 1 383.496 3.828 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](F)c1ccccc1 ZINC000769605329 874190102 /nfs/dbraw/zinc/19/01/02/874190102.db2.gz NRDGMMBEYWHRCE-IEBWSBKVSA-N 0 1 376.859 3.837 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770330792 874576455 /nfs/dbraw/zinc/57/64/55/874576455.db2.gz AMCZKKIJVSJZJK-LBPRGKRZSA-N 0 1 384.860 3.898 20 10 GHCDMN CC(=O)N1CC[N@@H+](Cc2cccc(Br)c2[O-])CC12CCCCC2 ZINC000770292493 874581633 /nfs/dbraw/zinc/58/16/33/874581633.db2.gz LRVHOQXSPRSRLF-UHFFFAOYSA-N 0 1 381.314 3.522 20 10 GHCDMN Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770324179 874598685 /nfs/dbraw/zinc/59/86/85/874598685.db2.gz MMMBZFZHWQVPQE-UHFFFAOYSA-N 0 1 388.649 3.687 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1cccc(N2CCOC2=O)c1 ZINC000858109961 882856244 /nfs/dbraw/zinc/85/62/44/882856244.db2.gz DWOHDDZLNUBKIV-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)n1cccc1 ZINC000771059430 875014532 /nfs/dbraw/zinc/01/45/32/875014532.db2.gz RDLDWGISOWYKNE-YJBOKZPZSA-N 0 1 375.900 3.579 20 10 GHCDMN Cc1cc(Br)cc(CNCc2nc3cc(F)ccc3n2C)c1O ZINC000776215262 875892260 /nfs/dbraw/zinc/89/22/60/875892260.db2.gz YCFACRZUJUUFHO-UHFFFAOYSA-N 0 1 378.245 3.779 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3F)cc2F)CC1 ZINC000106506652 876074895 /nfs/dbraw/zinc/07/48/95/876074895.db2.gz FMIYWQTZAJJOMB-UHFFFAOYSA-N 0 1 392.425 3.568 20 10 GHCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000746583573 876687632 /nfs/dbraw/zinc/68/76/32/876687632.db2.gz SHOUGONCWWYHGT-UHFFFAOYSA-N 0 1 380.414 3.999 20 10 GHCDMN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000850484018 876957284 /nfs/dbraw/zinc/95/72/84/876957284.db2.gz APRIMUZUPKHFSC-LBPRGKRZSA-N 0 1 377.282 3.642 20 10 GHCDMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(O)CC3)cc1)CCO2 ZINC000850567184 877035197 /nfs/dbraw/zinc/03/51/97/877035197.db2.gz XYLGNSZGGTZFEV-QFIPXVFZSA-N 0 1 382.504 3.660 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1[O-] ZINC000850580892 877054254 /nfs/dbraw/zinc/05/42/54/877054254.db2.gz BPBXARJPDUUMJN-VXJOIVPMSA-N 0 1 390.199 3.956 20 10 GHCDMN CCO[C@H]1COCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776486180 877085340 /nfs/dbraw/zinc/08/53/40/877085340.db2.gz YGJNCSJZIVKNGM-PMACEKPBSA-N 0 1 382.464 3.824 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1[O-] ZINC000787305284 877331590 /nfs/dbraw/zinc/33/15/90/877331590.db2.gz ZJVCTGVUNZBXDT-BRLLKYFNSA-N 0 1 384.495 3.980 20 10 GHCDMN CN(Cc1c(C2CC2)nc2sccn12)Cc1ccc(N2CCOCC2)cc1 ZINC000179616946 877781004 /nfs/dbraw/zinc/78/10/04/877781004.db2.gz SKIAABWDFKZCMG-UHFFFAOYSA-N 0 1 382.533 3.742 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000851709427 877872573 /nfs/dbraw/zinc/87/25/73/877872573.db2.gz XIIHHRJDQSFBOR-PKTZIBPZSA-N 0 1 394.515 3.602 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589391 878286824 /nfs/dbraw/zinc/28/68/24/878286824.db2.gz RTPIRBJCLDCGMZ-KRWDZBQOSA-N 0 1 395.253 3.618 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589391 878286842 /nfs/dbraw/zinc/28/68/42/878286842.db2.gz RTPIRBJCLDCGMZ-KRWDZBQOSA-N 0 1 395.253 3.618 20 10 GHCDMN COc1cc(O)c(CN2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000853526154 879086969 /nfs/dbraw/zinc/08/69/69/879086969.db2.gz NGWFTDCAHCFDLB-SFHVURJKSA-N 0 1 399.487 3.851 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567728 879124186 /nfs/dbraw/zinc/12/41/86/879124186.db2.gz XAECQUVZLNFUMQ-OSPHWJPCSA-N 0 1 391.467 3.942 20 10 GHCDMN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000789903719 879350703 /nfs/dbraw/zinc/35/07/03/879350703.db2.gz KOVRHVMENDQNKB-LJQANCHMSA-N 0 1 379.815 3.599 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cccc(Br)c2Cl)ccc1O ZINC000790072156 879415392 /nfs/dbraw/zinc/41/53/92/879415392.db2.gz YGQPNFCZGGXKTI-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000790410058 879687186 /nfs/dbraw/zinc/68/71/86/879687186.db2.gz ZLTNXOKVLDMTES-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000790416062 879697261 /nfs/dbraw/zinc/69/72/61/879697261.db2.gz NTXYLGYEWAMCLO-UHFFFAOYSA-N 0 1 381.453 3.986 20 10 GHCDMN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854475873 879838287 /nfs/dbraw/zinc/83/82/87/879838287.db2.gz XGDBMQAHBKHDSK-MRXNPFEDSA-N 0 1 384.259 3.534 20 10 GHCDMN COc1ccc(CNCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1C ZINC000790610290 879883651 /nfs/dbraw/zinc/88/36/51/879883651.db2.gz MVECCRIMTUVOFR-HSZRJFAPSA-N 0 1 393.487 3.518 20 10 GHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000792163966 880956853 /nfs/dbraw/zinc/95/68/53/880956853.db2.gz FIVAZSWYBRWZAD-UHFFFAOYSA-N 0 1 376.859 3.921 20 10 GHCDMN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1Cc1cc(OC)c(OC)cc1O ZINC000792187923 880973972 /nfs/dbraw/zinc/97/39/72/880973972.db2.gz ULBBUCDQKCTFPA-QHCPKHFHSA-N 0 1 399.487 3.550 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CCCCC1 ZINC000772797566 881129971 /nfs/dbraw/zinc/12/99/71/881129971.db2.gz GAPVSESKYXWTHC-ZDUSSCGKSA-N 0 1 383.330 3.814 20 10 GHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000858496367 883151478 /nfs/dbraw/zinc/15/14/78/883151478.db2.gz RGELUNISSPNOLQ-GFCCVEGCSA-N 0 1 377.282 3.988 20 10 GHCDMN COC(=O)c1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000804894186 883460608 /nfs/dbraw/zinc/46/06/08/883460608.db2.gz WEJKYXWBFXPWQS-UHFFFAOYSA-N 0 1 397.258 3.528 20 10 GHCDMN CCC(=O)c1cccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135379 883616837 /nfs/dbraw/zinc/61/68/37/883616837.db2.gz RYLWIPPDLNPUCT-UHFFFAOYSA-N 0 1 388.272 3.770 20 10 GHCDMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135518 883616936 /nfs/dbraw/zinc/61/69/36/883616936.db2.gz MUTZNHVQCWODJB-UHFFFAOYSA-N 0 1 392.308 3.572 20 10 GHCDMN CC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000321308449 884076582 /nfs/dbraw/zinc/07/65/82/884076582.db2.gz OBKYZDNLMPIGFJ-INIZCTEOSA-N 0 1 377.282 3.512 20 10 GHCDMN Cc1cc(C(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154875 884238183 /nfs/dbraw/zinc/23/81/83/884238183.db2.gz FPZXHFJTWOBSCI-IFXJQAMLSA-N 0 1 382.504 3.936 20 10 GHCDMN Cc1cc(C(=O)C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263154877 884239157 /nfs/dbraw/zinc/23/91/57/884239157.db2.gz FPZXHFJTWOBSCI-KUHUBIRLSA-N 0 1 382.504 3.936 20 10 GHCDMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000860242949 884475978 /nfs/dbraw/zinc/47/59/78/884475978.db2.gz XOOZLXQGACICQT-BXUZGUMPSA-N 0 1 378.822 3.715 20 10 GHCDMN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000761982465 885085459 /nfs/dbraw/zinc/08/54/59/885085459.db2.gz LRWNCEXSNSXMPN-OAHLLOKOSA-N 0 1 394.302 3.797 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000762001546 885163439 /nfs/dbraw/zinc/16/34/39/885163439.db2.gz SUKYTOXIBJXXBG-UHFFFAOYSA-N 0 1 386.267 3.743 20 10 GHCDMN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000795851624 912909413 /nfs/dbraw/zinc/90/94/13/912909413.db2.gz KWJDFFDYDYRWBA-MLGOLLRUSA-N 0 1 377.282 3.683 20 10 GHCDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975750 885233894 /nfs/dbraw/zinc/23/38/94/885233894.db2.gz NOZKTEPKBNTOTN-SFHVURJKSA-N 0 1 395.434 3.743 20 10 GHCDMN CCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C ZINC000807513839 885498215 /nfs/dbraw/zinc/49/82/15/885498215.db2.gz VWUAIZFQYBVOHC-UHFFFAOYSA-N 0 1 381.259 3.825 20 10 GHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1-c1cccc(C)c1 ZINC000807839899 885770916 /nfs/dbraw/zinc/77/09/16/885770916.db2.gz UFHUOQKQHBXXIN-UHFFFAOYSA-N 0 1 391.258 3.827 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839284 885805789 /nfs/dbraw/zinc/80/57/89/885805789.db2.gz KMUVGHXTEUABET-ZDUSSCGKSA-N 0 1 389.279 3.715 20 10 GHCDMN COc1nc(NCc2cc(Cl)cc(Cl)c2O)ncc1Br ZINC000808086625 886007131 /nfs/dbraw/zinc/00/71/31/886007131.db2.gz DWZWZGNGAUVBGP-UHFFFAOYSA-N 0 1 379.041 3.872 20 10 GHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000808090004 886010335 /nfs/dbraw/zinc/01/03/35/886010335.db2.gz ONJFGIDIHGURDZ-UHFFFAOYSA-N 0 1 378.141 3.948 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302368 886287095 /nfs/dbraw/zinc/28/70/95/886287095.db2.gz RLVGEIJHSRLWBH-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862302368 886287114 /nfs/dbraw/zinc/28/71/14/886287114.db2.gz RLVGEIJHSRLWBH-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)c1ccccc1 ZINC000862353778 886311745 /nfs/dbraw/zinc/31/17/45/886311745.db2.gz ZVXAAQUYQIYLDD-AWEZNQCLSA-N 0 1 389.293 3.640 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)c1ccccc1 ZINC000862353778 886311766 /nfs/dbraw/zinc/31/17/66/886311766.db2.gz ZVXAAQUYQIYLDD-AWEZNQCLSA-N 0 1 389.293 3.640 20 10 GHCDMN C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862542918 886452760 /nfs/dbraw/zinc/45/27/60/886452760.db2.gz DGTYRWFOGAMDFX-UHFFFAOYSA-N 0 1 397.258 3.541 20 10 GHCDMN C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862542918 886452773 /nfs/dbraw/zinc/45/27/73/886452773.db2.gz DGTYRWFOGAMDFX-UHFFFAOYSA-N 0 1 397.258 3.541 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1cc(Br)ccc1[O-] ZINC000808724188 886708183 /nfs/dbraw/zinc/70/81/83/886708183.db2.gz UDFFCLDYHUYKSK-XDKFSHSGSA-N 0 1 395.341 3.842 20 10 GHCDMN Cc1cc(NC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n(C)n1 ZINC000119281759 886886996 /nfs/dbraw/zinc/88/69/96/886886996.db2.gz HISRYQUKAQEWMA-QGZVFWFLSA-N 0 1 378.476 3.636 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000863742430 887354701 /nfs/dbraw/zinc/35/47/01/887354701.db2.gz VYPANCPONHLLCP-GDBMZVCRSA-N 0 1 395.341 3.982 20 10 GHCDMN CN(Cc1nc(-c2cccs2)no1)Cc1cccc(Br)c1O ZINC000809687909 887706083 /nfs/dbraw/zinc/70/60/83/887706083.db2.gz UWVCSPDMLBLZRM-UHFFFAOYSA-N 0 1 380.267 3.898 20 10 GHCDMN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809712930 887733471 /nfs/dbraw/zinc/73/34/71/887733471.db2.gz GYYZEQOQMHGYJF-NEPJUHHUSA-N 0 1 387.318 3.936 20 10 GHCDMN COc1cc(Cl)c(CNCc2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000865418088 888335708 /nfs/dbraw/zinc/33/57/08/888335708.db2.gz HUYPFFANKMTTEM-UHFFFAOYSA-N 0 1 394.874 3.623 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(Cl)c(F)c3)cc2F)C[C@@H](C)O1 ZINC000865418957 888335800 /nfs/dbraw/zinc/33/58/00/888335800.db2.gz QISRSKKWEDJDPJ-CHWSQXEVSA-N 0 1 381.854 3.917 20 10 GHCDMN COc1cc(Cl)c(CNCc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000865631602 888488003 /nfs/dbraw/zinc/48/80/03/888488003.db2.gz GSPZFFDGPMNRGV-UHFFFAOYSA-N 0 1 390.911 3.608 20 10 GHCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(O)c(Cl)c2)cc1 ZINC000916566242 889141755 /nfs/dbraw/zinc/14/17/55/889141755.db2.gz UWXNGGICAZHUSF-SFHVURJKSA-N 0 1 388.895 3.933 20 10 GHCDMN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(O)c(COC(C)C)c3)c2n1 ZINC000811703963 889878433 /nfs/dbraw/zinc/87/84/33/889878433.db2.gz NDMDNTZWLDYUOY-UHFFFAOYSA-N 0 1 386.473 3.975 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@H](C)CC(C)(C)C)CC2)cc1 ZINC000916731494 890144014 /nfs/dbraw/zinc/14/40/14/890144014.db2.gz IBCQLCUTXRMNTR-IBGZPJMESA-N 0 1 389.584 3.786 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc(C(F)(F)F)ccc3F)cc2)CC1 ZINC001133123356 890256527 /nfs/dbraw/zinc/25/65/27/890256527.db2.gz IGWLQUXUMFQMRG-UHFFFAOYSA-N 0 1 395.400 3.526 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N[C@H](C)CCCC(C)C)CC2)cc1 ZINC000917089668 891081121 /nfs/dbraw/zinc/08/11/21/891081121.db2.gz CRYFCKWXJYHQPW-LJQANCHMSA-N 0 1 375.557 3.538 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]2C(F)(F)F)C1 ZINC000615028882 891796936 /nfs/dbraw/zinc/79/69/36/891796936.db2.gz DAJNZDDGTKNMTJ-SFHVURJKSA-N 0 1 379.426 3.571 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(CN2CCCC2=O)cc1 ZINC000813683176 891875655 /nfs/dbraw/zinc/87/56/55/891875655.db2.gz WGALALPYSWRYJC-UHFFFAOYSA-N 0 1 393.270 3.751 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000917429036 891987027 /nfs/dbraw/zinc/98/70/27/891987027.db2.gz GXPILEDBRKOPBZ-UHFFFAOYSA-N 0 1 386.536 3.724 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc4ccccc4n3)cc2F)C[C@H](C)O1 ZINC000917435672 891996428 /nfs/dbraw/zinc/99/64/28/891996428.db2.gz OWQAAMWNSMAMPC-IYBDPMFKSA-N 0 1 380.467 3.672 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 ZINC000127800898 892217516 /nfs/dbraw/zinc/21/75/16/892217516.db2.gz UDZSDORRGBFHTH-UHFFFAOYSA-N 0 1 394.449 3.767 20 10 GHCDMN NC(=O)c1ccc(CN(Cc2cc(Br)ccc2O)C2CC2)c(F)c1 ZINC000814170790 892366820 /nfs/dbraw/zinc/36/68/20/892366820.db2.gz CLCOMATYXRRROP-UHFFFAOYSA-N 0 1 393.256 3.557 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000774836100 913695835 /nfs/dbraw/zinc/69/58/35/913695835.db2.gz PFULRUDNLYXLCR-UHFFFAOYSA-N 0 1 386.326 3.840 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000774836100 913695841 /nfs/dbraw/zinc/69/58/41/913695841.db2.gz PFULRUDNLYXLCR-UHFFFAOYSA-N 0 1 386.326 3.840 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCC2CCOCC2)C1 ZINC000814469028 892779375 /nfs/dbraw/zinc/77/93/75/892779375.db2.gz SQLSDMCPDCIAPZ-UHFFFAOYSA-N 0 1 384.520 3.768 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C2CC2)cc1 ZINC000918089758 893101360 /nfs/dbraw/zinc/10/13/60/893101360.db2.gz VYCJPUNSBSNBLF-JOCHJYFZSA-N 0 1 398.526 3.869 20 10 GHCDMN CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688717 893764097 /nfs/dbraw/zinc/76/40/97/893764097.db2.gz VLVQQPYHGUCGGT-WOJBJXKFSA-N 0 1 375.472 3.550 20 10 GHCDMN CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688717 893764104 /nfs/dbraw/zinc/76/41/04/893764104.db2.gz VLVQQPYHGUCGGT-WOJBJXKFSA-N 0 1 375.472 3.550 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869581 913840966 /nfs/dbraw/zinc/84/09/66/913840966.db2.gz MOYJAXBUIIDSEQ-YLJYHZDGSA-N 0 1 386.448 3.909 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816515506 894893681 /nfs/dbraw/zinc/89/36/81/894893681.db2.gz BJCAVVCDTILCCF-LLVKDONJSA-N 0 1 396.812 3.808 20 10 GHCDMN COc1ccccc1[C@@H](NCc1cc(Cl)c(F)cc1O)c1nccn1C ZINC000816533685 894903090 /nfs/dbraw/zinc/90/30/90/894903090.db2.gz GVLYPPGPRJLQHQ-GOSISDBHSA-N 0 1 375.831 3.806 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816609437 894971573 /nfs/dbraw/zinc/97/15/73/894971573.db2.gz BULPMWXXOIBFFA-CHWSQXEVSA-N 0 1 384.505 3.712 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816609438 894971958 /nfs/dbraw/zinc/97/19/58/894971958.db2.gz BULPMWXXOIBFFA-OLZOCXBDSA-N 0 1 384.505 3.712 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@H](c3ncc[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000818341709 896119532 /nfs/dbraw/zinc/11/95/32/896119532.db2.gz DNMRJSYBOZLULV-IERDGZPVSA-N 0 1 380.467 3.763 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148606 914057070 /nfs/dbraw/zinc/05/70/70/914057070.db2.gz GDNSZXFDXLJNGF-VQIMIIECSA-N 0 1 399.445 3.754 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000820133810 897181398 /nfs/dbraw/zinc/18/13/98/897181398.db2.gz QJPJIJDFCKZOCE-HXUWFJFHSA-N 0 1 395.547 3.728 20 10 GHCDMN COc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)cc1Cn1cccn1 ZINC000883012601 897203486 /nfs/dbraw/zinc/20/34/86/897203486.db2.gz LOCUXWWDXKZOFP-INIZCTEOSA-N 0 1 375.476 3.678 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)CN(C)[C@@H]3CCSC3)cc2Cl)C1 ZINC000800048737 898534733 /nfs/dbraw/zinc/53/47/33/898534733.db2.gz BDABGBUOEIJWPL-DOTOQJQBSA-N 0 1 396.000 3.630 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000133579035 898687937 /nfs/dbraw/zinc/68/79/37/898687937.db2.gz JKQHDKNYYVPGCW-CQSZACIVSA-N 0 1 385.302 3.548 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 ZINC001136797439 899321101 /nfs/dbraw/zinc/32/11/01/899321101.db2.gz LWRQVQBGVUUWJP-UHFFFAOYSA-N 0 1 399.454 3.873 20 10 GHCDMN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)cc1[O-] ZINC000824535345 899664024 /nfs/dbraw/zinc/66/40/24/899664024.db2.gz QGEHKSSVHVHOPF-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Br)cc1[O-] ZINC000824535345 899664030 /nfs/dbraw/zinc/66/40/30/899664030.db2.gz QGEHKSSVHVHOPF-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN C[N@H+](Cc1ccc(Br)cc1[O-])Cc1ccccc1N1CCOCC1 ZINC000824534702 899664068 /nfs/dbraw/zinc/66/40/68/899664068.db2.gz IOAIKUHRCHWPPP-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])Cc1ccccc1N1CCOCC1 ZINC000824534702 899664079 /nfs/dbraw/zinc/66/40/79/899664079.db2.gz IOAIKUHRCHWPPP-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636229 899730272 /nfs/dbraw/zinc/73/02/72/899730272.db2.gz MRACAGXQKVWGFM-NOZJJQNGSA-N 0 1 393.119 3.510 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1Cl ZINC000825143804 900003213 /nfs/dbraw/zinc/00/32/13/900003213.db2.gz JEDVPMXRTOHGOU-UHFFFAOYSA-N 0 1 396.940 3.673 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000825167070 900007185 /nfs/dbraw/zinc/00/71/85/900007185.db2.gz HGMHSPUDNHAVRI-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000825253597 900052915 /nfs/dbraw/zinc/05/29/15/900052915.db2.gz HUZAWUSBPCGCAW-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844212905 900607017 /nfs/dbraw/zinc/60/70/17/900607017.db2.gz PNEMZNGAEAAXTG-PXAMLJHWSA-N 0 1 395.459 3.651 20 10 GHCDMN C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844212906 900607207 /nfs/dbraw/zinc/60/72/07/900607207.db2.gz PNEMZNGAEAAXTG-SECOEOQKSA-N 0 1 395.459 3.651 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1O ZINC000844410077 900840345 /nfs/dbraw/zinc/84/03/45/900840345.db2.gz NBQFIWVAQJHRNO-PXAZEXFGSA-N 0 1 387.455 3.695 20 10 GHCDMN COc1cc2c(cc1O)CCN(Cc1ccc(N3CCC(OC)CC3)cc1)C2 ZINC000887108623 901439520 /nfs/dbraw/zinc/43/95/20/901439520.db2.gz OXHZIQSABDFRHF-UHFFFAOYSA-N 0 1 382.504 3.574 20 10 GHCDMN CCOC(=O)c1nc2ccc(NCc3cc(Br)ccc3O)cc2[nH]1 ZINC001171175766 902039912 /nfs/dbraw/zinc/03/99/12/902039912.db2.gz CTRQTYVMVNXHCZ-UHFFFAOYSA-N 0 1 390.237 3.820 20 10 GHCDMN COc1cccc([C@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1O ZINC000846161995 902730944 /nfs/dbraw/zinc/73/09/44/902730944.db2.gz DQNFWTLFZGHGLE-LBPRGKRZSA-N 0 1 390.281 3.970 20 10 GHCDMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773045905 904398576 /nfs/dbraw/zinc/39/85/76/904398576.db2.gz KAFYYBZBIPQDET-KDOFPFPSSA-N 0 1 380.941 3.931 20 10 GHCDMN COc1ccc(N2CCN([C@H]3CCc4cc(F)c(F)cc4C3)CC2)c(OC)c1 ZINC001171496326 904740981 /nfs/dbraw/zinc/74/09/81/904740981.db2.gz OLKYRRRXKBBYMX-KRWDZBQOSA-N 0 1 388.458 3.662 20 10 GHCDMN COc1ccc(CNCc2ccc(OC3CCCC3)nc2)cc1Cn1cccn1 ZINC001177319109 908523902 /nfs/dbraw/zinc/52/39/02/908523902.db2.gz VWVSEHLKSVGUHM-UHFFFAOYSA-N 0 1 392.503 3.946 20 10 GHCDMN COc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1OC(F)F ZINC000069751413 909701409 /nfs/dbraw/zinc/70/14/09/909701409.db2.gz YDNJZDIZLZIUAY-UHFFFAOYSA-N 0 1 396.409 3.562 20 10 GHCDMN CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC001181072442 910545119 /nfs/dbraw/zinc/54/51/19/910545119.db2.gz HXOMGWMUPIHTRF-JTQLQIEISA-N 0 1 376.600 3.553 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC001206514286 911722735 /nfs/dbraw/zinc/72/27/35/911722735.db2.gz PZBTWFBMXQRAGY-GFCCVEGCSA-N 0 1 393.119 3.654 20 10 GHCDMN Cc1cc(Br)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001187454121 915261567 /nfs/dbraw/zinc/26/15/67/915261567.db2.gz FCQIIOCSUVDHHZ-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000775253618 916644623 /nfs/dbraw/zinc/64/46/23/916644623.db2.gz ABWWDMBWRFFLJM-CQSZACIVSA-N 0 1 375.856 3.936 20 10 GHCDMN COc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000296479819 918314179 /nfs/dbraw/zinc/31/41/79/918314179.db2.gz OFQZPQOSMFMINK-CYBMUJFWSA-N 0 1 379.863 3.570 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(C)cc3-c3ccnn3C)CC2)cc1F ZINC000802642131 922284230 /nfs/dbraw/zinc/28/42/30/922284230.db2.gz PBKZAPHKXJWQEN-UHFFFAOYSA-N 0 1 394.494 3.865 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000802655444 922311201 /nfs/dbraw/zinc/31/12/01/922311201.db2.gz ZNBDZYKCECADHQ-SFHVURJKSA-N 0 1 399.329 3.891 20 10 GHCDMN CCCn1cc([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000902787035 922497763 /nfs/dbraw/zinc/49/77/63/922497763.db2.gz VTPYUUADRMUYNN-CQSZACIVSA-N 0 1 379.455 3.609 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(CC2CCC2)c1 ZINC000903183669 922839084 /nfs/dbraw/zinc/83/90/84/922839084.db2.gz PSJVSTQLWYTTQH-OAHLLOKOSA-N 0 1 390.478 3.649 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310504 925244434 /nfs/dbraw/zinc/24/44/34/925244434.db2.gz OUWIVBGXFAMCID-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310504 925244439 /nfs/dbraw/zinc/24/44/39/925244439.db2.gz OUWIVBGXFAMCID-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310504 925244444 /nfs/dbraw/zinc/24/44/44/925244444.db2.gz OUWIVBGXFAMCID-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN O=C(C[C@H]1CCC2(CCC2)O1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440405 925796135 /nfs/dbraw/zinc/79/61/35/925796135.db2.gz VEVPIYNNFLGCRL-QZTJIDSGSA-N 0 1 392.927 3.618 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000827941463 926346975 /nfs/dbraw/zinc/34/69/75/926346975.db2.gz FBZJCFYGYOQMGC-SNVBAGLBSA-N 0 1 384.860 3.807 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056787 927409378 /nfs/dbraw/zinc/40/93/78/927409378.db2.gz IUPDFNKPUNWFSH-OAHLLOKOSA-N 0 1 382.888 3.689 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000375085353 927892715 /nfs/dbraw/zinc/89/27/15/927892715.db2.gz UUEKNRRTCXALLL-UHFFFAOYSA-N 0 1 383.488 3.743 20 10 GHCDMN COc1ccc(N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1F ZINC000757851086 929825763 /nfs/dbraw/zinc/82/57/63/929825763.db2.gz CBFKATJOGMOWIP-UHFFFAOYSA-N 0 1 396.344 3.804 20 10 GHCDMN CN(CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000758005453 929885853 /nfs/dbraw/zinc/88/58/53/929885853.db2.gz XWUPXCAACWSRBA-HXUWFJFHSA-N 0 1 375.582 3.509 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@H]2CCCc3[nH]ncc32)c(C)n1-c1cccc(F)c1 ZINC000758133853 929937555 /nfs/dbraw/zinc/93/75/55/929937555.db2.gz MRBKNQMBFOQDFW-KRWDZBQOSA-N 0 1 395.434 3.802 20 10 GHCDMN COC(=O)c1cc2ccccc2c(CN2CCO[C@H](c3ccsc3)C2)c1O ZINC000758396546 930032504 /nfs/dbraw/zinc/03/25/04/930032504.db2.gz BAVWJJYCNRVHFI-IBGZPJMESA-N 0 1 383.469 3.967 20 10 GHCDMN C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759693137 930455767 /nfs/dbraw/zinc/45/57/67/930455767.db2.gz SEUVFIUGSWJMJM-LJQANCHMSA-N 0 1 397.538 3.995 20 10 GHCDMN CC(C)n1cc([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000925162719 931685947 /nfs/dbraw/zinc/68/59/47/931685947.db2.gz WQGRPEMPYMORBD-GJZGRUSLSA-N 0 1 379.455 3.780 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)c3n[nH]nc3-c3ccccc3)cc2)CC1 ZINC000797724290 932381861 /nfs/dbraw/zinc/38/18/61/932381861.db2.gz MJOICHOCUNQENP-UHFFFAOYSA-N 0 1 375.476 3.638 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1[O-] ZINC000799201844 932913125 /nfs/dbraw/zinc/91/31/25/932913125.db2.gz CCZHKZLXMHWTJO-INIZCTEOSA-N 0 1 382.476 3.763 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137834663 935814116 /nfs/dbraw/zinc/81/41/16/935814116.db2.gz OPCUQBPVZPAJPK-HSZRJFAPSA-N 0 1 382.479 3.589 20 10 GHCDMN COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137837399 935816535 /nfs/dbraw/zinc/81/65/35/935816535.db2.gz FORBIGVVOXIKSA-UHFFFAOYSA-N 0 1 388.483 3.645 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@]3(C2)CCCOC3)c(C)n1-c1ccc(Cl)cn1 ZINC000829542323 935824955 /nfs/dbraw/zinc/82/49/55/935824955.db2.gz MCIBHKCIVJHDMU-NRFANRHFSA-N 0 1 387.911 3.828 20 10 GHCDMN Cc1cc(CN2CCC[C@@H](NC(=O)c3cccnc3)C2)c(C)n1-c1ccccc1 ZINC001137859203 935829786 /nfs/dbraw/zinc/82/97/86/935829786.db2.gz NOSHCUHGPLAJHG-JOCHJYFZSA-N 0 1 388.515 3.884 20 10 GHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596118334 983452730 /nfs/dbraw/zinc/45/27/30/983452730.db2.gz UCPPERVCKIAKEE-UHFFFAOYSA-N 0 1 386.471 3.687 20 10 GHCDMN COc1cccc(SCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001599684135 990959576 /nfs/dbraw/zinc/95/95/76/990959576.db2.gz MVJJHIJCOIAETK-UHFFFAOYSA-N 0 1 381.881 3.733 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001599584287 993591869 /nfs/dbraw/zinc/59/18/69/993591869.db2.gz PECBOWVQQDAGAF-GOSISDBHSA-N 0 1 396.409 3.908 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H](C)CC3)cc2F)CC1 ZINC001226824878 1032146083 /nfs/dbraw/zinc/14/60/83/1032146083.db2.gz KPJYDCPBVZAJQN-MJGOQNOKSA-N 0 1 390.547 3.736 20 10 GHCDMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1CCCC1 ZINC001221071494 1032267007 /nfs/dbraw/zinc/26/70/07/1032267007.db2.gz QQNVIHHBNARCDD-QFBILLFUSA-N 0 1 383.492 3.598 20 10 GHCDMN COc1cc2[nH]ncc2cc1C(=O)n1c(=N)ccc(N=Nc2ccccc2)c1N ZINC001154786718 1032283147 /nfs/dbraw/zinc/28/31/47/1032283147.db2.gz LXAWLXRQMTZWQE-HJXZNDEESA-N 0 1 387.403 3.539 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2ccccc2OC)c1O ZINC001227493191 1032439887 /nfs/dbraw/zinc/43/98/87/1032439887.db2.gz FGKXNVPVVOKWHI-NSHDSACASA-N 0 1 394.445 3.956 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCCc3c(Cl)ccnc32)c1O ZINC001227622359 1032488794 /nfs/dbraw/zinc/48/87/94/1032488794.db2.gz LTGCGPTZSWSORS-SNVBAGLBSA-N 0 1 397.836 3.532 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2CCc3ccc(Cl)cc32)c1O ZINC001227621247 1032488980 /nfs/dbraw/zinc/48/89/80/1032488980.db2.gz CUOCRFZJWQUVAT-LLVKDONJSA-N 0 1 382.821 3.747 20 10 GHCDMN CCC(=O)[C@H](CC)Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227657963 1032506556 /nfs/dbraw/zinc/50/65/56/1032506556.db2.gz HVHCFYXNAYTQTJ-AWEZNQCLSA-N 0 1 398.367 3.946 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232659 1032520712 /nfs/dbraw/zinc/52/07/12/1032520712.db2.gz WPFPKPQFDPQPQC-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)C[C@@H]1Cc1ccccc1 ZINC001204276310 1032717980 /nfs/dbraw/zinc/71/79/80/1032717980.db2.gz KCPROGGEMSFWKM-IBGZPJMESA-N 0 1 398.503 3.762 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1F ZINC001204321780 1032765804 /nfs/dbraw/zinc/76/58/04/1032765804.db2.gz KNAONABRZQAHFZ-RTBURBONSA-N 0 1 377.504 3.724 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@H](Oc3cccc(C)n3)C2)c1O ZINC001204340399 1032781273 /nfs/dbraw/zinc/78/12/73/1032781273.db2.gz PUOUCBRHKHWZTP-HNNXBMFYSA-N 0 1 393.281 3.520 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(C)nc4ccccc43)CC2)cc1 ZINC001156257495 1032945524 /nfs/dbraw/zinc/94/55/24/1032945524.db2.gz VPGYNFGTHUBFHQ-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@@H]1CCCc2cccnc21 ZINC001228516401 1032967310 /nfs/dbraw/zinc/96/73/10/1032967310.db2.gz MEWLHVQBWMCWGX-GOSISDBHSA-N 0 1 393.395 3.591 20 10 GHCDMN Cc1ccc([C@]2(C)CN(Cc3ccc(N4CCC(O)CC4)cc3)CCO2)cc1 ZINC001140286022 1021316630 /nfs/dbraw/zinc/31/66/30/1021316630.db2.gz XDAPPFVSEKJRQT-DEOSSOPVSA-N 0 1 380.532 3.704 20 10 GHCDMN COc1cccc([C@@H]2CSCCN2Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001140286712 1021318023 /nfs/dbraw/zinc/31/80/23/1021318023.db2.gz BLWZDBSAQPNEEB-QHCPKHFHSA-N 0 1 398.572 3.946 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001140339700 1021446124 /nfs/dbraw/zinc/44/61/24/1021446124.db2.gz LPBLZTLZBNDRMW-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001140339700 1021446135 /nfs/dbraw/zinc/44/61/35/1021446135.db2.gz LPBLZTLZBNDRMW-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001204584889 1032986318 /nfs/dbraw/zinc/98/63/18/1032986318.db2.gz JOSQZXQCXJBJFY-HNNXBMFYSA-N 0 1 376.447 3.842 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc(Br)ccc1[O-] ZINC000834882728 1021607612 /nfs/dbraw/zinc/60/76/12/1021607612.db2.gz DHEHGZIYSOVCBS-INIZCTEOSA-N 0 1 398.322 3.799 20 10 GHCDMN Cc1cc(C(=O)CN2CCN(CC(C)C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827276942 1022019650 /nfs/dbraw/zinc/01/96/50/1022019650.db2.gz USAJZXQBKQZGRM-UHFFFAOYSA-N 0 1 388.943 3.599 20 10 GHCDMN Cc1ccc(O)c(CN2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c1 ZINC001140622040 1022096033 /nfs/dbraw/zinc/09/60/33/1022096033.db2.gz VUISGNOYNLGALI-UHFFFAOYSA-N 0 1 381.520 3.792 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2ccncc2F)C1 ZINC000836011107 1022546142 /nfs/dbraw/zinc/54/61/42/1022546142.db2.gz JSLIVCXBIUQXEH-UHFFFAOYSA-N 0 1 381.451 3.685 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4c(N)cccc4F)C3)C2)cc1 ZINC001140872482 1022758567 /nfs/dbraw/zinc/75/85/67/1022758567.db2.gz BPFQPXIYVJLYJK-HSZRJFAPSA-N 0 1 399.510 3.536 20 10 GHCDMN C[C@@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756400433 1023629672 /nfs/dbraw/zinc/62/96/72/1023629672.db2.gz KIGXWYDDNNAAGC-IERDGZPVSA-N 0 1 389.490 3.700 20 10 GHCDMN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756447945 1023655817 /nfs/dbraw/zinc/65/58/17/1023655817.db2.gz ZFLRNQWMMXUFDB-ZDUSSCGKSA-N 0 1 382.913 3.583 20 10 GHCDMN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756460801 1023663574 /nfs/dbraw/zinc/66/35/74/1023663574.db2.gz TUZXAJUUCQKCSG-GXTWGEPZSA-N 0 1 382.273 3.796 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000756475285 1023674536 /nfs/dbraw/zinc/67/45/36/1023674536.db2.gz MVUIECHPVOOAPB-JSGCOSHPSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1[O-] ZINC000756478154 1023676240 /nfs/dbraw/zinc/67/62/40/1023676240.db2.gz FSCFVURKPLVUHR-LLVKDONJSA-N 0 1 397.700 3.889 20 10 GHCDMN C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(Br)ccc1[O-] ZINC000756660062 1023760059 /nfs/dbraw/zinc/76/00/59/1023760059.db2.gz ROCLAMMWCHAFNJ-VIFPVBQESA-N 0 1 378.192 3.764 20 10 GHCDMN CCc1nc(Cl)nc(Cl)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156658449 1033160919 /nfs/dbraw/zinc/16/09/19/1033160919.db2.gz DCVRNJLPOMSQAV-UHFFFAOYSA-N 0 1 380.323 3.710 20 10 GHCDMN C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545312 1023978046 /nfs/dbraw/zinc/97/80/46/1023978046.db2.gz XHUUGWDBXWBXCO-WMLDXEAASA-N 0 1 376.884 3.598 20 10 GHCDMN C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830545312 1023978047 /nfs/dbraw/zinc/97/80/47/1023978047.db2.gz XHUUGWDBXWBXCO-WMLDXEAASA-N 0 1 376.884 3.598 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001141373208 1024760736 /nfs/dbraw/zinc/76/07/36/1024760736.db2.gz RTPAFVOUFLRQQT-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001138391500 1024766873 /nfs/dbraw/zinc/76/68/73/1024766873.db2.gz DWQAHJDFGLHNON-HXUWFJFHSA-N 0 1 384.524 3.683 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](Oc3cccc(OC)n3)C2)c(OC)c1 ZINC001138392530 1024770593 /nfs/dbraw/zinc/77/05/93/1024770593.db2.gz ZDDGTRNFTFCXOA-LJQANCHMSA-N 0 1 385.508 3.598 20 10 GHCDMN Clc1ccccc1N1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1 ZINC001138501305 1024935051 /nfs/dbraw/zinc/93/50/51/1024935051.db2.gz OJXFXROJFUZBRD-PMACEKPBSA-N 0 1 383.923 3.640 20 10 GHCDMN OC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838790191 1025368057 /nfs/dbraw/zinc/36/80/57/1025368057.db2.gz FADQVHYSAFJDMJ-SJPCQFCGSA-N 0 1 379.342 3.927 20 10 GHCDMN CC(C)Cc1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146688 1025643458 /nfs/dbraw/zinc/64/34/58/1025643458.db2.gz QZFSCAUATVMSRY-UHFFFAOYSA-N 0 1 381.492 3.746 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc(F)ccc3N(C)C)cc2F)C[C@H](C)O1 ZINC001461067903 1069373700 /nfs/dbraw/zinc/37/37/00/1069373700.db2.gz RMLWPBUHGASSAA-IYBDPMFKSA-N 0 1 389.490 3.934 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)[C@H](C(C)(C)C)C3)ccc21 ZINC001163925162 1026362101 /nfs/dbraw/zinc/36/21/01/1026362101.db2.gz OSKVMTHVSMSCHA-NRFANRHFSA-N 0 1 385.552 3.707 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4cc(C)ccc43)CC2)cc1 ZINC001164328172 1026486800 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CN1C(=O)Cc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000806494268 884738812 /nfs/dbraw/zinc/73/88/12/884738812.db2.gz NZAJHUWWTAGCFK-UHFFFAOYSA-N 0 1 380.231 3.540 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccsc2[nH]1 ZINC000761983460 885086828 /nfs/dbraw/zinc/08/68/28/885086828.db2.gz WPRNICLGLPDHTC-HNNXBMFYSA-N 0 1 389.908 3.983 20 10 GHCDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000761996473 885129298 /nfs/dbraw/zinc/12/92/98/885129298.db2.gz VSWORVKDPBIJFE-UHFFFAOYSA-N 0 1 380.422 3.505 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc2c1CCCC2 ZINC000807512653 885498690 /nfs/dbraw/zinc/49/86/90/885498690.db2.gz BRGXFRBUBACWRZ-UHFFFAOYSA-N 0 1 393.270 3.833 20 10 GHCDMN O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000171128894 885733007 /nfs/dbraw/zinc/73/30/07/885733007.db2.gz ZPIKWAUOBJODQT-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN Cc1onc(-c2cccnc2)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840008 885771031 /nfs/dbraw/zinc/77/10/31/885771031.db2.gz 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C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000863742431 887354313 /nfs/dbraw/zinc/35/43/13/887354313.db2.gz VYPANCPONHLLCP-GOEBONIOSA-N 0 1 395.341 3.982 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000863742433 887354935 /nfs/dbraw/zinc/35/49/35/887354935.db2.gz VYPANCPONHLLCP-ZBFHGGJFSA-N 0 1 395.341 3.982 20 10 GHCDMN CCCc1ccc([C@H](C)N(CC(N)=O)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000119980401 887694771 /nfs/dbraw/zinc/69/47/71/887694771.db2.gz IFVFOOQBINFVMI-IBGZPJMESA-N 0 1 395.547 3.524 20 10 GHCDMN CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809725819 887710104 /nfs/dbraw/zinc/71/01/04/887710104.db2.gz BQIRFZWAVCIDKM-AWEZNQCLSA-N 0 1 385.302 3.645 20 10 GHCDMN CC(C)COC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000809712750 887734127 /nfs/dbraw/zinc/73/41/27/887734127.db2.gz DBCACFVYWXZVOS-UHFFFAOYSA-N 0 1 385.302 3.501 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000809768472 887756451 /nfs/dbraw/zinc/75/64/51/887756451.db2.gz MNZSIPAXHHZSQT-AWEZNQCLSA-N 0 1 380.286 3.840 20 10 GHCDMN CC[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215035 888291900 /nfs/dbraw/zinc/29/19/00/888291900.db2.gz OLOOQWIQLGNMJC-KRWDZBQOSA-N 0 1 396.409 3.977 20 10 GHCDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(Cl)cc1Cl ZINC000747619305 888703061 /nfs/dbraw/zinc/70/30/61/888703061.db2.gz ZSGPIKQAPHSFIK-UHFFFAOYSA-N 0 1 390.244 3.595 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)SCC(=O)N2 ZINC000811529379 889681911 /nfs/dbraw/zinc/68/19/11/889681911.db2.gz NAJRCGGKTRELJN-UHFFFAOYSA-N 0 1 383.256 3.673 20 10 GHCDMN Cc1ccc(C(=O)NC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)s1 ZINC000123311032 890501437 /nfs/dbraw/zinc/50/14/37/890501437.db2.gz MGPSUDAJHBXGLX-UHFFFAOYSA-N 0 1 375.513 3.656 20 10 GHCDMN Oc1c(CNc2nc(C(F)(F)F)nc3[nH]cnc32)cc(Cl)c2cccnc12 ZINC001168522469 890750962 /nfs/dbraw/zinc/75/09/62/890750962.db2.gz SDZSWTBWOPWCJI-UHFFFAOYSA-N 0 1 394.744 3.843 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1[O-] ZINC000812780382 890960400 /nfs/dbraw/zinc/96/04/00/890960400.db2.gz CFBQVGVWITZKEQ-FQEVSTJZSA-N 0 1 390.867 3.771 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)c1-c1ccccc1 ZINC000872784388 891328314 /nfs/dbraw/zinc/32/83/14/891328314.db2.gz AZYMLOFRPSFIEH-CALCHBBNSA-N 0 1 377.440 3.552 20 10 GHCDMN CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000917210409 891579761 /nfs/dbraw/zinc/57/97/61/891579761.db2.gz OUQOSHTWFOMBHO-JOCHJYFZSA-N 0 1 397.519 3.633 20 10 GHCDMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000917210409 891579770 /nfs/dbraw/zinc/57/97/70/891579770.db2.gz OUQOSHTWFOMBHO-JOCHJYFZSA-N 0 1 397.519 3.633 20 10 GHCDMN COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1OC(F)F ZINC000774823197 913653104 /nfs/dbraw/zinc/65/31/04/913653104.db2.gz QHLMNRSOENKUDG-UHFFFAOYSA-N 0 1 398.362 3.551 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1OC(F)F ZINC000774823197 913653114 /nfs/dbraw/zinc/65/31/14/913653114.db2.gz QHLMNRSOENKUDG-UHFFFAOYSA-N 0 1 398.362 3.551 20 10 GHCDMN COc1ccc(N2CCC(N[C@H](C)c3ncc(Br)cn3)CC2)cc1 ZINC000814301784 892529200 /nfs/dbraw/zinc/52/92/00/892529200.db2.gz DUXXOEGTAXILPO-CYBMUJFWSA-N 0 1 391.313 3.567 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000125581588 892802510 /nfs/dbraw/zinc/80/25/10/892802510.db2.gz FUEDBZOIWKBEEY-KNQAVFIVSA-N 0 1 393.531 3.576 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000933714524 893164027 /nfs/dbraw/zinc/16/40/27/893164027.db2.gz JRYNVIRDQUOVIE-LLVKDONJSA-N 0 1 383.345 3.532 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000933714524 893164034 /nfs/dbraw/zinc/16/40/34/893164034.db2.gz JRYNVIRDQUOVIE-LLVKDONJSA-N 0 1 383.345 3.532 20 10 GHCDMN COc1nsc(CNCCCSc2nccs2)c1Br ZINC000877061373 893463420 /nfs/dbraw/zinc/46/34/20/893463420.db2.gz FZQHPEAUWQDULX-UHFFFAOYSA-N 0 1 380.358 3.643 20 10 GHCDMN COc1cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000826036284 894208864 /nfs/dbraw/zinc/20/88/64/894208864.db2.gz DQVXXPUULXARLQ-UHFFFAOYSA-N 0 1 382.504 3.962 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)c1 ZINC000826036196 894213256 /nfs/dbraw/zinc/21/32/56/894213256.db2.gz ATMACNKYLOPJAC-UHFFFAOYSA-N 0 1 377.872 3.564 20 10 GHCDMN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1O ZINC000816481095 894850359 /nfs/dbraw/zinc/85/03/59/894850359.db2.gz IRFXUJTYBMDVGZ-UHFFFAOYSA-N 0 1 392.455 3.777 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H](F)Cc1ccccc1 ZINC000778391689 894865320 /nfs/dbraw/zinc/86/53/20/894865320.db2.gz WTKNHZHPMFMYAS-RTBURBONSA-N 0 1 390.886 3.707 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1NC(=O)C1CC1 ZINC000816682086 895022439 /nfs/dbraw/zinc/02/24/39/895022439.db2.gz OOGNDJTZBFZHNT-UHFFFAOYSA-N 0 1 379.243 3.978 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000774904752 913995969 /nfs/dbraw/zinc/99/59/69/913995969.db2.gz VRNPFHFZNAWZKT-CQSZACIVSA-N 0 1 388.395 3.543 20 10 GHCDMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(C)n1-c1ccccc1Br ZINC000819972437 897065055 /nfs/dbraw/zinc/06/50/55/897065055.db2.gz FASMHBZSAATDLN-UHFFFAOYSA-N 0 1 399.292 3.778 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1[O-] ZINC000883286353 897447620 /nfs/dbraw/zinc/44/76/20/897447620.db2.gz QHZWOBPAMFSNHJ-LBPRGKRZSA-N 0 1 390.281 3.535 20 10 GHCDMN Cc1cc(C(=O)NCCCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000302985932 914160474 /nfs/dbraw/zinc/16/04/74/914160474.db2.gz IOONJOKUYFVYAI-UHFFFAOYSA-N 0 1 389.927 3.590 20 10 GHCDMN C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131426871 897457724 /nfs/dbraw/zinc/45/77/24/897457724.db2.gz IMLUJRVPKVADQC-INIZCTEOSA-N 0 1 385.483 3.697 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000824905804 899870460 /nfs/dbraw/zinc/87/04/60/899870460.db2.gz DOSMUMHTQOBCFB-KRWDZBQOSA-N 0 1 384.314 3.705 20 10 GHCDMN O=C(CCC[NH2+]Cc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC000825223076 900033771 /nfs/dbraw/zinc/03/37/71/900033771.db2.gz XLJZBQKNPHGKFB-UHFFFAOYSA-N 0 1 389.293 3.614 20 10 GHCDMN C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000844733111 901249921 /nfs/dbraw/zinc/24/99/21/901249921.db2.gz NOBXWSKRWIWYKP-PBHICJAKSA-N 0 1 378.476 3.902 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1F ZINC000886747239 901251450 /nfs/dbraw/zinc/25/14/50/901251450.db2.gz OTQKDYGOEBGGBF-NRFANRHFSA-N 0 1 387.474 3.907 20 10 GHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])c(OC)c1 ZINC001144306844 901687039 /nfs/dbraw/zinc/68/70/39/901687039.db2.gz TWYIRQDLRXLXKU-UHFFFAOYSA-N 0 1 384.245 3.943 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)C3CCCCCC3)cc2F)CC1 ZINC000303339068 914686663 /nfs/dbraw/zinc/68/66/63/914686663.db2.gz VRHXZGFOUOUJOR-UHFFFAOYSA-N 0 1 390.547 3.832 20 10 GHCDMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152594627 904283788 /nfs/dbraw/zinc/28/37/88/904283788.db2.gz XTUSOKSSXYEVCT-SFHVURJKSA-N 0 1 394.494 3.758 20 10 GHCDMN CCOCc1cc(CN[C@H](Cn2ccccc2=O)c2ccccc2)ccc1OC ZINC000282763966 904306021 /nfs/dbraw/zinc/30/60/21/904306021.db2.gz UHRGAMFGHCRSRM-JOCHJYFZSA-N 0 1 392.499 3.925 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000773267391 904637407 /nfs/dbraw/zinc/63/74/07/904637407.db2.gz OPGLVCGINGFZJI-FXAWDEMLSA-N 0 1 384.524 3.851 20 10 GHCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccc(Br)cc1 ZINC000779173836 905115745 /nfs/dbraw/zinc/11/57/45/905115745.db2.gz IRANRVHZAXPLNB-CQSZACIVSA-N 0 1 384.657 3.812 20 10 GHCDMN C[C@@H]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)CN1C(=O)OC(C)(C)C ZINC001173078867 906177905 /nfs/dbraw/zinc/17/79/05/906177905.db2.gz UTLBZONBBMIURV-RHSMWYFYSA-N 0 1 376.497 3.634 20 10 GHCDMN Cc1cccn2c(=O)cc(CN(C)Cc3ccc(N4CCCCC4)cc3)nc12 ZINC000078588422 907142049 /nfs/dbraw/zinc/14/20/49/907142049.db2.gz MJJQRMUMFLENEF-UHFFFAOYSA-N 0 1 376.504 3.625 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000779476032 907259532 /nfs/dbraw/zinc/25/95/32/907259532.db2.gz STZPHUFDEMTUMT-KSEUIEODSA-N 0 1 388.895 3.964 20 10 GHCDMN CCC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000779544391 907540283 /nfs/dbraw/zinc/54/02/83/907540283.db2.gz MMZPBYXSBIMOFA-QXHGNLAOSA-N 0 1 380.488 3.624 20 10 GHCDMN CCOc1ccc(-c2cn(C3CN(Cc4cc(C)c(C)cc4O)C3)nn2)cc1 ZINC000779615031 907904124 /nfs/dbraw/zinc/90/41/24/907904124.db2.gz YPNXPBQOMSOHMJ-UHFFFAOYSA-N 0 1 378.476 3.723 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000192815070 907930974 /nfs/dbraw/zinc/93/09/74/907930974.db2.gz JYEYQIGCFQNPNR-ZBFHGGJFSA-N 0 1 391.313 3.654 20 10 GHCDMN COc1ccc(N(CCN2C[C@H]3CC[C@@H](C2)O3)Cc2ccccc2)cc1OC ZINC001177021536 908365601 /nfs/dbraw/zinc/36/56/01/908365601.db2.gz ARCGXERFMJXLMJ-OYRHEFFESA-N 0 1 382.504 3.574 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001177459783 908578113 /nfs/dbraw/zinc/57/81/13/908578113.db2.gz YZIWQBFKAXTIHP-LBPRGKRZSA-N 0 1 375.774 3.594 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000774042386 911320301 /nfs/dbraw/zinc/32/03/01/911320301.db2.gz BZKKMZKZXRGXPK-UHFFFAOYSA-N 0 1 392.175 3.559 20 10 GHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091934665 911344629 /nfs/dbraw/zinc/34/46/29/911344629.db2.gz CLIOQNFUEZTHOL-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091934665 911344648 /nfs/dbraw/zinc/34/46/48/911344648.db2.gz CLIOQNFUEZTHOL-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN O=C(c1ccccc1)N1CC[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283187678 911403856 /nfs/dbraw/zinc/40/38/56/911403856.db2.gz QKMPJDZIODQKQZ-DENIHFKCSA-N 0 1 394.515 3.536 20 10 GHCDMN COc1cc(Br)cc(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1O ZINC001204336777 911570097 /nfs/dbraw/zinc/57/00/97/911570097.db2.gz XDAUQZJULZWHNK-MWLCHTKSSA-N 0 1 386.183 3.743 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000097476969 915585182 /nfs/dbraw/zinc/58/51/82/915585182.db2.gz BYRROSBZDBBRDX-LJQANCHMSA-N 0 1 381.520 3.851 20 10 GHCDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775435495 917756371 /nfs/dbraw/zinc/75/63/71/917756371.db2.gz WZOSZTUMSYYNKP-SFHVURJKSA-N 0 1 395.551 3.696 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)CN1CC(F)(F)F ZINC001275838024 918335923 /nfs/dbraw/zinc/33/59/23/918335923.db2.gz RWESMFQSIDQIMK-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001275838512 918363824 /nfs/dbraw/zinc/36/38/24/918363824.db2.gz YUNAMORYEJVQCN-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001275838512 918363841 /nfs/dbraw/zinc/36/38/41/918363841.db2.gz YUNAMORYEJVQCN-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN Oc1cc2c(cc1CN1CC[C@@](F)(c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000800861814 920538783 /nfs/dbraw/zinc/53/87/83/920538783.db2.gz GGNXYNYUFMXLMO-HKUYNNGSSA-N 0 1 397.368 3.908 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc2ccccc2c1[O-] ZINC000903434912 923025239 /nfs/dbraw/zinc/02/52/39/923025239.db2.gz ONAHOSHCEGHOAQ-JSGCOSHPSA-N 0 1 384.867 3.624 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCCN(C/C=C\c3ccc(N(C)C)cc3)C2)s1 ZINC000827949140 926374710 /nfs/dbraw/zinc/37/47/10/926374710.db2.gz LFPTWACHGBVVBF-XQDHMALISA-N 0 1 385.533 3.889 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000725848537 926466522 /nfs/dbraw/zinc/46/65/22/926466522.db2.gz WDNPNYQLYNPRDE-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000758631066 930109551 /nfs/dbraw/zinc/10/95/51/930109551.db2.gz ASNPQEHFRIRIPL-CQSZACIVSA-N 0 1 390.199 3.997 20 10 GHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160439 930294623 /nfs/dbraw/zinc/29/46/23/930294623.db2.gz OKPWGWMIYPZOPQ-FQEVSTJZSA-N 0 1 391.471 3.708 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000780934873 930644212 /nfs/dbraw/zinc/64/42/12/930644212.db2.gz DDDFJHYEFHBPBI-OTIVFRFGSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000780934873 930644213 /nfs/dbraw/zinc/64/42/13/930644213.db2.gz DDDFJHYEFHBPBI-OTIVFRFGSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934873 930644225 /nfs/dbraw/zinc/64/42/25/930644225.db2.gz DDDFJHYEFHBPBI-OTIVFRFGSA-N 0 1 386.879 3.545 20 10 GHCDMN O=C(/C=C\c1cccc(O)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000780934873 930644230 /nfs/dbraw/zinc/64/42/30/930644230.db2.gz DDDFJHYEFHBPBI-OTIVFRFGSA-N 0 1 386.879 3.545 20 10 GHCDMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777566191 931829630 /nfs/dbraw/zinc/82/96/30/931829630.db2.gz JXDXCTAOESCETK-OAHLLOKOSA-N 0 1 383.883 3.930 20 10 GHCDMN CN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000784461892 931903763 /nfs/dbraw/zinc/90/37/63/931903763.db2.gz FCPISZRHNIINHR-HXUWFJFHSA-N 0 1 391.475 3.736 20 10 GHCDMN CN(C)c1ccc(CN[C@@]2(CO)CCOc3ccccc32)c(C(F)(F)F)c1 ZINC000799737028 933104608 /nfs/dbraw/zinc/10/46/08/933104608.db2.gz SBOOEYPUTOCKIR-LJQANCHMSA-N 0 1 380.410 3.531 20 10 GHCDMN Cc1cc(CN2CCc3nc[nH]c3C23CCOCC3)ccc1N1CCCCC1 ZINC000931108163 934380995 /nfs/dbraw/zinc/38/09/95/934380995.db2.gz TXNOXNYXBYIMPH-UHFFFAOYSA-N 0 1 380.536 3.772 20 10 GHCDMN Cc1cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1N1CCCCC1 ZINC000828337740 935615157 /nfs/dbraw/zinc/61/51/57/935615157.db2.gz ANVRNYPTMDJAEW-RTWAWAEBSA-N 0 1 378.582 3.773 20 10 GHCDMN CCCC(=O)[C@H](CCC)Oc1c(O)c(C(=O)OCC)sc1C(=O)OCC ZINC001227493471 1032439593 /nfs/dbraw/zinc/43/95/93/1032439593.db2.gz HDMLLVIKOWBACQ-LBPRGKRZSA-N 0 1 386.466 3.724 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCc3ccccc32)c1O ZINC001227493793 1032439961 /nfs/dbraw/zinc/43/99/61/1032439961.db2.gz KPBKDTUGTROZGO-CYBMUJFWSA-N 0 1 376.430 3.873 20 10 GHCDMN CCCCC(=O)[C@H](CCCC)Oc1c(O)c(C(=O)OC)sc1C(=O)OC ZINC001227623196 1032489152 /nfs/dbraw/zinc/48/91/52/1032489152.db2.gz QDOFUDICWHUBSU-LBPRGKRZSA-N 0 1 386.466 3.724 20 10 GHCDMN CC[C@@H](COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12)OC ZINC001227658611 1032507630 /nfs/dbraw/zinc/50/76/30/1032507630.db2.gz MEKGHKRAWWZFGZ-JTQLQIEISA-N 0 1 386.356 3.613 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@]3(C)CCCC[C@H]3C)cc2F)CC1 ZINC001221805429 1032541032 /nfs/dbraw/zinc/54/10/32/1032541032.db2.gz VKGAKSUILGQFBN-VGOFRKELSA-N 0 1 390.547 3.736 20 10 GHCDMN Cc1cc(C)nc(N2CCN(Cc3ccc(N(C)C)c4ccccc34)CC2)n1 ZINC001204242351 1032685812 /nfs/dbraw/zinc/68/58/12/1032685812.db2.gz NZKPIHFOYNSGMP-UHFFFAOYSA-N 0 1 375.520 3.635 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1(C(F)(F)F)CCOCC1 ZINC000932299011 1018169946 /nfs/dbraw/zinc/16/99/46/1018169946.db2.gz ASJDDIOUANAJIN-UHFFFAOYSA-N 0 1 387.185 3.610 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC001204422664 1032854384 /nfs/dbraw/zinc/85/43/84/1032854384.db2.gz FVPZEQNZWFXGGY-UHFFFAOYSA-N 0 1 392.446 3.635 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncc(SC)cc3C)CC2)cc1 ZINC001156260662 1032947801 /nfs/dbraw/zinc/94/78/01/1032947801.db2.gz HMHYYANLDDRGMF-UHFFFAOYSA-N 0 1 386.565 3.745 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2ncc(Br)cn2)CC1 ZINC001140341423 1021451680 /nfs/dbraw/zinc/45/16/80/1021451680.db2.gz MWZPOIDDXMBPQV-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2ccccc2c1[O-] ZINC000834910165 1021671872 /nfs/dbraw/zinc/67/18/72/1021671872.db2.gz FXWQLSYUAVLUDO-NVXWUHKLSA-N 0 1 386.492 3.832 20 10 GHCDMN C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581178 1022002666 /nfs/dbraw/zinc/00/26/66/1022002666.db2.gz MQXFGFYAFOCNBU-MRXNPFEDSA-N 0 1 392.446 3.519 20 10 GHCDMN CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581178 1022002669 /nfs/dbraw/zinc/00/26/69/1022002669.db2.gz MQXFGFYAFOCNBU-MRXNPFEDSA-N 0 1 392.446 3.519 20 10 GHCDMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583478 1022004374 /nfs/dbraw/zinc/00/43/74/1022004374.db2.gz INTMFGKUFMSFPI-IYOUNJFTSA-N 0 1 380.479 3.966 20 10 GHCDMN Cc1nc(COC[C@@H]2Cn3ccnc3CN(Cc3cc(C)ccc3O)C2)cs1 ZINC001140620126 1022091420 /nfs/dbraw/zinc/09/14/20/1022091420.db2.gz CXJWQBNEJJCRNQ-KRWDZBQOSA-N 0 1 398.532 3.511 20 10 GHCDMN c1ccc2oc(N3CCN(Cc4cc5c6c(c4)CCCN6CCC5)CC3)nc2c1 ZINC001141075875 1023438287 /nfs/dbraw/zinc/43/82/87/1023438287.db2.gz DUOVGVVNONNLMM-UHFFFAOYSA-N 0 1 388.515 3.849 20 10 GHCDMN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000756504680 1023688560 /nfs/dbraw/zinc/68/85/60/1023688560.db2.gz PQGJNJGRPFMHPY-MJGOQNOKSA-N 0 1 382.504 3.742 20 10 GHCDMN COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756554964 1023712126 /nfs/dbraw/zinc/71/21/26/1023712126.db2.gz PBHCWIHTQYADHO-CYBMUJFWSA-N 0 1 385.346 3.695 20 10 GHCDMN Cc1cccc2c(Cl)nnc(NCc3ccc(N4CCN(C)CC4)cc3)c12 ZINC001156655728 1033159444 /nfs/dbraw/zinc/15/94/44/1033159444.db2.gz HPCQHGZDGWYOJC-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(Br)cc1[O-] ZINC000756704570 1023782542 /nfs/dbraw/zinc/78/25/42/1023782542.db2.gz OYYRDCLSKUKINZ-ZDUSSCGKSA-N 0 1 383.330 3.892 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)ccc1[O-] ZINC000756710320 1023784289 /nfs/dbraw/zinc/78/42/89/1023784289.db2.gz BCERBKQVUDDZNE-XHDPSFHLSA-N 0 1 393.256 3.750 20 10 GHCDMN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000756708835 1023784305 /nfs/dbraw/zinc/78/43/05/1023784305.db2.gz UOPFDERYFMMXSC-LBPRGKRZSA-N 0 1 385.302 3.815 20 10 GHCDMN COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000756762611 1023805662 /nfs/dbraw/zinc/80/56/62/1023805662.db2.gz XVBBVBBPQWGJBY-LBPRGKRZSA-N 0 1 396.281 3.902 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001138126972 1024174085 /nfs/dbraw/zinc/17/40/85/1024174085.db2.gz OKNOSUNNRAGDDK-IFMALSPDSA-N 0 1 386.467 3.514 20 10 GHCDMN Cc1c(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c2ccccc2n1C ZINC001138256697 1024481831 /nfs/dbraw/zinc/48/18/31/1024481831.db2.gz HFRGYCKTGDRZGH-UHFFFAOYSA-N 0 1 389.425 3.618 20 10 GHCDMN Cc1c(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)c2ccccc2n1C ZINC001138258357 1024485791 /nfs/dbraw/zinc/48/57/91/1024485791.db2.gz QWCLBNIYFMMWEF-UHFFFAOYSA-N 0 1 389.425 3.618 20 10 GHCDMN Oc1c(CN2CCN(Cc3ccccc3F)CC2)cc2c3c1CCCN3CCC2 ZINC001138337549 1024699503 /nfs/dbraw/zinc/69/95/03/1024699503.db2.gz UHEXDQZBHOGFBF-UHFFFAOYSA-N 0 1 395.522 3.548 20 10 GHCDMN CCOC(=O)C1(F)CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141371491 1024751281 /nfs/dbraw/zinc/75/12/81/1024751281.db2.gz YSCPWQCVJIIIPV-UHFFFAOYSA-N 0 1 394.668 3.675 20 10 GHCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372987 1024761836 /nfs/dbraw/zinc/76/18/36/1024761836.db2.gz IDAZPTKQORDIHX-SNVBAGLBSA-N 0 1 376.678 3.583 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3ncncc3C)CC2)c(OC)c1 ZINC001138392068 1024769003 /nfs/dbraw/zinc/76/90/03/1024769003.db2.gz OOHMPVDEMPLEPR-UHFFFAOYSA-N 0 1 384.524 3.683 20 10 GHCDMN c1cc2cc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)cnc2[nH]1 ZINC001138743892 1025284222 /nfs/dbraw/zinc/28/42/22/1025284222.db2.gz ICJVNGFWCWSSPE-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN COCCN(Cc1c(C)nn(C)c1C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000839125541 1025619462 /nfs/dbraw/zinc/61/94/62/1025619462.db2.gz IMUCGHSVMCBIOX-UHFFFAOYSA-N 0 1 384.568 3.984 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139127271 1025939414 /nfs/dbraw/zinc/93/94/14/1025939414.db2.gz SXIMHNZTIZMLHE-GOSISDBHSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139127271 1025939422 /nfs/dbraw/zinc/93/94/22/1025939422.db2.gz SXIMHNZTIZMLHE-GOSISDBHSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139127271 1025939426 /nfs/dbraw/zinc/93/94/26/1025939426.db2.gz SXIMHNZTIZMLHE-GOSISDBHSA-N 0 1 378.472 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001139129627 1025941264 /nfs/dbraw/zinc/94/12/64/1025941264.db2.gz BMHYGGFBFBQUQK-LJQANCHMSA-N 0 1 387.382 3.659 20 10 GHCDMN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139133849 1025946773 /nfs/dbraw/zinc/94/67/73/1025946773.db2.gz TZSAQJJHANPCMA-INIZCTEOSA-N 0 1 380.444 3.554 20 10 GHCDMN CC[N@@H+](Cc1ccccc1O)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139242966 1026092373 /nfs/dbraw/zinc/09/23/73/1026092373.db2.gz SNKLNAWJBMSHTI-UHFFFAOYSA-N 0 1 394.265 3.640 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)Cc2cn(CC3CC3)nc21 ZINC001139671693 1026526196 /nfs/dbraw/zinc/52/61/96/1026526196.db2.gz OEUBGUGRYCRYBW-NRFANRHFSA-N 0 1 382.552 3.803 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001139683295 1026537032 /nfs/dbraw/zinc/53/70/32/1026537032.db2.gz HCOLAKVGURHMTQ-YCRPNKLZSA-N 0 1 390.430 3.516 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001139683295 1026537044 /nfs/dbraw/zinc/53/70/44/1026537044.db2.gz HCOLAKVGURHMTQ-YCRPNKLZSA-N 0 1 390.430 3.516 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001140054100 1026833446 /nfs/dbraw/zinc/83/34/46/1026833446.db2.gz JIJASTPQPUNTPQ-QHCPKHFHSA-N 0 1 382.479 3.589 20 10 GHCDMN C[C@@H]1CN(Cc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)C1 ZINC001140098532 1026874890 /nfs/dbraw/zinc/87/48/90/1026874890.db2.gz DEXDCUHNGHLRDO-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN COc1cccnc1O[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140102539 1026882097 /nfs/dbraw/zinc/88/20/97/1026882097.db2.gz RHXQCTNDUVVNHV-ZDUSSCGKSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cccnc1O[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140102539 1026882103 /nfs/dbraw/zinc/88/21/03/1026882103.db2.gz RHXQCTNDUVVNHV-ZDUSSCGKSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cccnc1O[C@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC001140102539 1026882110 /nfs/dbraw/zinc/88/21/10/1026882110.db2.gz RHXQCTNDUVVNHV-ZDUSSCGKSA-N 0 1 393.281 3.602 20 10 GHCDMN CC(C)[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCC(=O)N1 ZINC000840187723 1027327253 /nfs/dbraw/zinc/32/72/53/1027327253.db2.gz XAODYFXLVJDNDW-HNNXBMFYSA-N 0 1 391.309 3.797 20 10 GHCDMN CC(C)[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCC(=O)N1 ZINC000840187723 1027327263 /nfs/dbraw/zinc/32/72/63/1027327263.db2.gz XAODYFXLVJDNDW-HNNXBMFYSA-N 0 1 391.309 3.797 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC001203562281 1027434860 /nfs/dbraw/zinc/43/48/60/1027434860.db2.gz GRDBULBIDKIJAE-ZANVPECISA-N 0 1 393.119 3.510 20 10 GHCDMN CC(C)[N@@H+](CCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC001203567377 1027438426 /nfs/dbraw/zinc/43/84/26/1027438426.db2.gz OKJVGRXBNSOJQC-UHFFFAOYSA-N 0 1 381.108 3.510 20 10 GHCDMN CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568197 1027439263 /nfs/dbraw/zinc/43/92/63/1027439263.db2.gz DZZKPGJDJFDPLA-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN COC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)cc1 ZINC001203582155 1027450728 /nfs/dbraw/zinc/45/07/28/1027450728.db2.gz TXJFBKNTFSILKM-UHFFFAOYSA-N 0 1 395.286 3.808 20 10 GHCDMN COc1cccc(CN2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)c1O ZINC001203599945 1027464316 /nfs/dbraw/zinc/46/43/16/1027464316.db2.gz PKQBNZNEZVWCRJ-UHFFFAOYSA-N 0 1 398.503 3.678 20 10 GHCDMN CCOc1cccc(CN2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1O ZINC001203602991 1027466486 /nfs/dbraw/zinc/46/64/86/1027466486.db2.gz FHAJXZQHWZNLKT-UHFFFAOYSA-N 0 1 376.497 3.624 20 10 GHCDMN CCOc1cccc(CN2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)c1O ZINC001203615364 1027478021 /nfs/dbraw/zinc/47/80/21/1027478021.db2.gz SYZBUJPSJRFUDW-KRWDZBQOSA-N 0 1 389.517 3.574 20 10 GHCDMN CCOC[C@H]1COCCC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001203643881 1027501607 /nfs/dbraw/zinc/50/16/07/1027501607.db2.gz QZMGXXNVAWVOTO-INIZCTEOSA-N 0 1 398.341 3.810 20 10 GHCDMN O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203659017 1027514381 /nfs/dbraw/zinc/51/43/81/1027514381.db2.gz POUYMOGJXCKEMN-INIZCTEOSA-N 0 1 376.928 3.954 20 10 GHCDMN COc1cccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC001203825489 1027637555 /nfs/dbraw/zinc/63/75/55/1027637555.db2.gz PCYXQTYMEUJSSJ-UHFFFAOYSA-N 0 1 389.499 3.991 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000840763865 1027808343 /nfs/dbraw/zinc/80/83/43/1027808343.db2.gz ZEOMEVQGKVEXJE-CYBMUJFWSA-N 0 1 377.391 3.560 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000840937693 1027971756 /nfs/dbraw/zinc/97/17/56/1027971756.db2.gz VFBZUCVRHRSUIH-HNNXBMFYSA-N 0 1 386.858 3.856 20 10 GHCDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000840955940 1027985261 /nfs/dbraw/zinc/98/52/61/1027985261.db2.gz BXNJKYAHZIHTLE-UHFFFAOYSA-N 0 1 384.904 3.629 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cc1[O-] ZINC000841743900 1028906456 /nfs/dbraw/zinc/90/64/56/1028906456.db2.gz DDNFIGBVCPKNJR-INIZCTEOSA-N 0 1 390.911 3.607 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FC(F)Oc1ccc(N2CCC[C@H](Nc3nc(Cl)nc4[nH]cnc43)C2)cc1 ZINC001458217807 1063667653 /nfs/dbraw/zinc/66/76/53/1063667653.db2.gz IMFFUULRIKEIJV-JTQLQIEISA-N 0 1 394.813 3.689 20 10 GHCDMN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)ccc1N1CCN(C)CC1 ZINC001463911662 1064713442 /nfs/dbraw/zinc/71/34/42/1064713442.db2.gz MHBXLLIJVJPPRU-UHFFFAOYSA-N 0 1 397.500 3.625 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NC(C)(C)CC(C)(C)C)cc2F)CC1 ZINC001468640926 1067802537 /nfs/dbraw/zinc/80/25/37/1067802537.db2.gz DELCLZPUJINDHQ-UHFFFAOYSA-N 0 1 392.563 3.982 20 10 GHCDMN CCOCc1nc(C)cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC001472687984 1073619286 /nfs/dbraw/zinc/61/92/86/1073619286.db2.gz MZKIITINBUGAOS-KRWDZBQOSA-N 0 1 390.915 3.757 20 10 GHCDMN CCOCc1nc(C)cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC001472687984 1073619293 /nfs/dbraw/zinc/61/92/93/1073619293.db2.gz MZKIITINBUGAOS-KRWDZBQOSA-N 0 1 390.915 3.757 20 10 GHCDMN CN(CCO)c1ccc(NCc2cc(Cl)cc(Br)c2O)cc1 ZINC001474060635 1074251200 /nfs/dbraw/zinc/25/12/00/1074251200.db2.gz SOIDLZBKGOIIOU-UHFFFAOYSA-N 0 1 385.689 3.849 20 10 GHCDMN CCc1cccc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1O ZINC001474380088 1074375849 /nfs/dbraw/zinc/37/58/49/1074375849.db2.gz UVHBROHOBLDDIS-KRWDZBQOSA-N 0 1 392.503 3.883 20 10 GHCDMN CN(C)C(=O)C[C@H]1CN(Cc2ccc(F)c(F)c2O)c2ccc(Cl)cc21 ZINC001474502025 1074434811 /nfs/dbraw/zinc/43/48/11/1074434811.db2.gz QGAJORYLIBWQGT-LBPRGKRZSA-N 0 1 380.822 3.906 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC001474549250 1074459250 /nfs/dbraw/zinc/45/92/50/1074459250.db2.gz BVUXWPKMMLBOQO-IEBWSBKVSA-N 0 1 394.284 3.763 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC001474549254 1074459349 /nfs/dbraw/zinc/45/93/49/1074459349.db2.gz BVUXWPKMMLBOQO-PKOBYXMFSA-N 0 1 394.284 3.763 20 10 GHCDMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000161734758 834471714 /nfs/dbraw/zinc/47/17/14/834471714.db2.gz SWNQUNASXYYYJE-UHFFFAOYSA-N 0 1 385.483 3.511 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179776112 835979321 /nfs/dbraw/zinc/97/93/21/835979321.db2.gz GWDSQTFNJPUTHC-ZDUSSCGKSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179776112 835979331 /nfs/dbraw/zinc/97/93/31/835979331.db2.gz GWDSQTFNJPUTHC-ZDUSSCGKSA-N 0 1 387.281 3.577 20 10 GHCDMN Cc1cccnc1N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000471295151 837089679 /nfs/dbraw/zinc/08/96/79/837089679.db2.gz IDSINMVBNIQUMY-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN COc1cc2c(cc1CNCc1ccc(N3CCC(CO)CC3)cc1)O[C@@H](C)C2 ZINC000067247399 844401443 /nfs/dbraw/zinc/40/14/43/844401443.db2.gz IISJCUOIPSOQTE-KRWDZBQOSA-N 0 1 396.531 3.517 20 10 GHCDMN COC(=O)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)c2cc[nH]c2c1C ZINC001167441974 840582443 /nfs/dbraw/zinc/58/24/43/840582443.db2.gz ZYRUQOKNGXUAMF-UHFFFAOYSA-N 0 1 392.503 3.627 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(OC)c1O ZINC000160745879 840642465 /nfs/dbraw/zinc/64/24/65/840642465.db2.gz MREBHBWJYXUKPB-UHFFFAOYSA-N 0 1 382.382 3.669 20 10 GHCDMN C[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCN(Cc2ccccc2)C1 ZINC000706872898 841035384 /nfs/dbraw/zinc/03/53/84/841035384.db2.gz SNQQKXOHTFFJLR-LJQANCHMSA-N 0 1 375.310 3.909 20 10 GHCDMN C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000756779590 842289492 /nfs/dbraw/zinc/28/94/92/842289492.db2.gz TYKXAWJOHCBWNM-NSHDSACASA-N 0 1 385.302 3.672 20 10 GHCDMN COc1cccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F ZINC000800223157 843537831 /nfs/dbraw/zinc/53/78/31/843537831.db2.gz SUTNAIREQOBJNZ-GJZGRUSLSA-N 0 1 376.447 3.877 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000729286006 844825566 /nfs/dbraw/zinc/82/55/66/844825566.db2.gz WTZSMWCHQGNYIF-JOCHJYFZSA-N 0 1 397.588 3.939 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000024088708 845494517 /nfs/dbraw/zinc/49/45/17/845494517.db2.gz DZBOSZUSNWSZTI-UHFFFAOYSA-N 0 1 395.547 3.761 20 10 GHCDMN CCN(CCNC(=O)NCc1c(C)c2ccccc2n1C)CCC(F)(F)F 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3.580 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000057167837 855256507 /nfs/dbraw/zinc/25/65/07/855256507.db2.gz KNKQZINDJAFDAE-UHFFFAOYSA-N 0 1 394.544 3.945 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)c2nccs2)C1 ZINC000520952149 857432404 /nfs/dbraw/zinc/43/24/04/857432404.db2.gz QYJWRWPWKVFHKM-INIZCTEOSA-N 0 1 396.560 3.784 20 10 GHCDMN COc1ccc2oc(/C=C3/SC(=S)N(C4CCN(C)CC4)C3=O)cc2c1 ZINC000160315307 858793325 /nfs/dbraw/zinc/79/33/25/858793325.db2.gz ARIXHNHMSFGWHG-GZTJUZNOSA-N 0 1 388.514 3.737 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c(C)c1O ZINC000187059358 858933961 /nfs/dbraw/zinc/93/39/61/858933961.db2.gz KFTGBJZTNWHFPX-UHFFFAOYSA-N 0 1 387.417 3.575 20 10 GHCDMN COc1ccc(N2CCC(N[C@H](c3nccn3C)c3ccccc3)CC2)cc1 ZINC000764809597 859624624 /nfs/dbraw/zinc/62/46/24/859624624.db2.gz IYQCWLHZCLJPNE-QFIPXVFZSA-N 0 1 376.504 3.777 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(C)ccc3F)cc2F)CC1 ZINC000730132795 860872954 /nfs/dbraw/zinc/87/29/54/860872954.db2.gz GEMKRCWRVAOEQW-UHFFFAOYSA-N 0 1 388.462 3.737 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)C3CCC(C)CC3)cc2F)CC1 ZINC000730133479 860873182 /nfs/dbraw/zinc/87/31/82/860873182.db2.gz VBRHXENIVFLBCI-UHFFFAOYSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc(C)c3C)cc2F)CC1 ZINC000730133184 860873375 /nfs/dbraw/zinc/87/33/75/860873375.db2.gz KWNCGHFAUNRHBY-UHFFFAOYSA-N 0 1 384.499 3.906 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CC(C)(C)c3ccccc3)cc2F)CC1 ZINC000730194215 860937543 /nfs/dbraw/zinc/93/75/43/860937543.db2.gz ATAMZSUABGSKHR-UHFFFAOYSA-N 0 1 397.538 3.952 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Br)c1O ZINC000730275057 860995218 /nfs/dbraw/zinc/99/52/18/860995218.db2.gz VBDUXFUJNSZPCL-UHFFFAOYSA-N 0 1 377.282 3.883 20 10 GHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000183270084 863524607 /nfs/dbraw/zinc/52/46/07/863524607.db2.gz UGADGRPDLNLQFW-UHFFFAOYSA-N 0 1 387.390 3.997 20 10 GHCDMN CCOc1cncc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000856765201 881730997 /nfs/dbraw/zinc/73/09/97/881730997.db2.gz CEOQYCUXYGTARL-UHFFFAOYSA-N 0 1 395.425 3.626 20 10 GHCDMN Cc1cc(CCNC(=O)c2nnc3ccccc3c2O)c(C)n1-c1ccccc1 ZINC000735649393 864902347 /nfs/dbraw/zinc/90/23/47/864902347.db2.gz FUAHVZBRSAMYRY-UHFFFAOYSA-N 0 1 386.455 3.715 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)CC1 ZINC000063824319 865442379 /nfs/dbraw/zinc/44/23/79/865442379.db2.gz NAZFFNSAJCRLKH-UVTDQMKNSA-N 0 1 397.363 3.745 20 10 GHCDMN O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270015 865511147 /nfs/dbraw/zinc/51/11/47/865511147.db2.gz IFDIWVWJIIEGEI-IBGZPJMESA-N 0 1 394.515 3.779 20 10 GHCDMN C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)N1CCc2ccccc2C1 ZINC000743527389 868247801 /nfs/dbraw/zinc/24/78/01/868247801.db2.gz ZIKNZPZBYJPQKP-KRWDZBQOSA-N 0 1 393.531 3.517 20 10 GHCDMN C[C@@H]1C[C@@H](c2ccccc2F)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743856845 868456155 /nfs/dbraw/zinc/45/61/55/868456155.db2.gz PVZDRSIDRDXGKW-VGSWGCGISA-N 0 1 383.511 3.933 20 10 GHCDMN CCN(CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1cc(Br)ccc1O ZINC000744425686 868830045 /nfs/dbraw/zinc/83/00/45/868830045.db2.gz JRQRVYBLRVQMAF-ZDUSSCGKSA-N 0 1 395.341 3.766 20 10 GHCDMN COc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C ZINC000857473202 882287589 /nfs/dbraw/zinc/28/75/89/882287589.db2.gz UDAVDEVEKNULMU-SFHVURJKSA-N 0 1 388.895 3.757 20 10 GHCDMN Cc1nnc(-c2cccc(S(=O)(=O)Nc3ccc(O)cc3C(F)(F)F)c2)o1 ZINC001192265628 870250889 /nfs/dbraw/zinc/25/08/89/870250889.db2.gz GLLVXQWRWPMUAT-UHFFFAOYSA-N 0 1 399.350 3.570 20 10 GHCDMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001192492089 870430804 /nfs/dbraw/zinc/43/08/04/870430804.db2.gz BESLTTZXDROJBK-UHFFFAOYSA-N 0 1 399.310 3.715 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775556366 870779449 /nfs/dbraw/zinc/77/94/49/870779449.db2.gz XNWNAPJOKYFHKC-SFHVURJKSA-N 0 1 394.924 3.826 20 10 GHCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168820287 870907270 /nfs/dbraw/zinc/90/72/70/870907270.db2.gz AIVIUYAGBHFDHJ-SMDDNHRTSA-N 0 1 385.302 3.642 20 10 GHCDMN COc1cccc(C(F)(F)F)c1CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193624854 871194747 /nfs/dbraw/zinc/19/47/47/871194747.db2.gz AMUWGYDZUQIQKR-UHFFFAOYSA-N 0 1 375.730 3.709 20 10 GHCDMN O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(O)c([O-])c(Cl)c1 ZINC001193634591 871200162 /nfs/dbraw/zinc/20/01/62/871200162.db2.gz YRFNCBBVOFICAW-OSYLJGHBSA-N 0 1 386.879 3.677 20 10 GHCDMN C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606010 871213651 /nfs/dbraw/zinc/21/36/51/871213651.db2.gz RGQMWTPQOZNGMH-NEPJUHHUSA-N 0 1 398.887 3.517 20 10 GHCDMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)c(Br)c1 ZINC001195307929 872328203 /nfs/dbraw/zinc/32/82/03/872328203.db2.gz CFJSXCJEHCHFLT-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN CN1CCN(c2ccc(CN3CCc4[nH]c5ccc(F)cc5c4C3)cc2)CC1 ZINC000775654455 872387953 /nfs/dbraw/zinc/38/79/53/872387953.db2.gz KZITYHYYUVYKFI-UHFFFAOYSA-N 0 1 378.495 3.617 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)nc43)cc2F)CC1 ZINC000857902238 882626232 /nfs/dbraw/zinc/62/62/32/882626232.db2.gz QPAKVYNUOURUMG-QGZVFWFLSA-N 0 1 375.875 3.612 20 10 GHCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000775682496 872814435 /nfs/dbraw/zinc/81/44/35/872814435.db2.gz ZCUPLLSEXPCWQC-UHFFFAOYSA-N 0 1 395.135 3.758 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000767926493 872941881 /nfs/dbraw/zinc/94/18/81/872941881.db2.gz KGVMPXXDPNODTC-CYBMUJFWSA-N 0 1 389.801 3.885 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C)c2C2CC2)C1 ZINC000768005190 873014256 /nfs/dbraw/zinc/01/42/56/873014256.db2.gz SRFLUSCYJMWPEA-UHFFFAOYSA-N 0 1 391.519 3.657 20 10 GHCDMN COc1cc2c(cc1CN(Cc1ccccc1O)C[C@H]1CCCO1)O[C@@H](C)C2 ZINC000768162182 873122854 /nfs/dbraw/zinc/12/28/54/873122854.db2.gz NEMQNNQCGXWJRY-OXJNMPFZSA-N 0 1 383.488 3.905 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1cccc(Br)c1)[C@@H](O)CO2 ZINC000768442150 873305694 /nfs/dbraw/zinc/30/56/94/873305694.db2.gz JRDIBGMXVSESOF-WMZOPIPTSA-N 0 1 390.277 3.918 20 10 GHCDMN O=S(=O)(Nc1cnc2nccn2c1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197162452 873632159 /nfs/dbraw/zinc/63/21/59/873632159.db2.gz TUHVJKKKDGLBRE-QURGRASLSA-N 0 1 378.417 3.946 20 10 GHCDMN C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913258 873681533 /nfs/dbraw/zinc/68/15/33/873681533.db2.gz XEWSMVKIWYVSHY-MAUKXSAKSA-N 0 1 388.895 3.594 20 10 GHCDMN CSc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000768913181 873681685 /nfs/dbraw/zinc/68/16/85/873681685.db2.gz VZEUYKMIGTYRCP-INIZCTEOSA-N 0 1 391.924 3.557 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769002978 873766959 /nfs/dbraw/zinc/76/69/59/873766959.db2.gz DKMBLRSTGCPRCM-DZGCQCFKSA-N 0 1 383.330 3.672 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769425967 874046894 /nfs/dbraw/zinc/04/68/94/874046894.db2.gz RUSLLSYCXZABCP-SMDDNHRTSA-N 0 1 399.875 3.689 20 10 GHCDMN CCOc1ccc(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c(O)c1 ZINC000769451245 874078818 /nfs/dbraw/zinc/07/88/18/874078818.db2.gz KMZHBYSPTXVMQB-IBGZPJMESA-N 0 1 384.476 3.711 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@H]2CCCCO2)C1 ZINC000769663723 874220413 /nfs/dbraw/zinc/22/04/13/874220413.db2.gz PXUJGDHGSWTTIV-GOSISDBHSA-N 0 1 384.520 3.910 20 10 GHCDMN CCOC(=O)c1sc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775837423 874331807 /nfs/dbraw/zinc/33/18/07/874331807.db2.gz SMLSZUUIWHUJNW-AWEZNQCLSA-N 0 1 389.521 3.589 20 10 GHCDMN Fc1c(Br)ccc(CNCc2ccc(N3CCOCC3)cc2)c1F ZINC000858105697 882851697 /nfs/dbraw/zinc/85/16/97/882851697.db2.gz AODRFAILTPTPPX-UHFFFAOYSA-N 0 1 397.263 3.854 20 10 GHCDMN COc1cccc(N2CC[C@H](C[NH2+]Cc3c([O-])cccc3Br)C2)c1 ZINC000858121827 882861107 /nfs/dbraw/zinc/86/11/07/882861107.db2.gz AOCGELNMRNJKLY-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1[O-] ZINC000775928843 874788660 /nfs/dbraw/zinc/78/86/60/874788660.db2.gz FKEAHJIFLHLALA-MRXNPFEDSA-N 0 1 381.451 3.996 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1[O-] ZINC000775928843 874788662 /nfs/dbraw/zinc/78/86/62/874788662.db2.gz FKEAHJIFLHLALA-MRXNPFEDSA-N 0 1 381.451 3.996 20 10 GHCDMN Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)C ZINC000770793205 874874113 /nfs/dbraw/zinc/87/41/13/874874113.db2.gz RWCQPIPKNQFQKT-QGZVFWFLSA-N 0 1 390.915 3.526 20 10 GHCDMN Cc1nc(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1 ZINC000771056701 875012890 /nfs/dbraw/zinc/01/28/90/875012890.db2.gz GOYZEDJVQYIROX-MRXNPFEDSA-N 0 1 393.940 3.524 20 10 GHCDMN CCn1c(C)cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1C ZINC000771060080 875016016 /nfs/dbraw/zinc/01/60/16/875016016.db2.gz UCAYEASNBWXUFD-GOSISDBHSA-N 0 1 389.927 3.878 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)C1 ZINC001199608765 875075846 /nfs/dbraw/zinc/07/58/46/875075846.db2.gz KVBWEMLAAIQUCA-HNNXBMFYSA-N 0 1 392.330 3.985 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000776004243 875089690 /nfs/dbraw/zinc/08/96/90/875089690.db2.gz LRFKFGOQRNLJAW-GCJKJVERSA-N 0 1 394.515 3.593 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000858160036 882897649 /nfs/dbraw/zinc/89/76/49/882897649.db2.gz ANUQXZKJOQCOIF-QAPCUYQASA-N 0 1 380.257 3.550 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc(F)c3F)cc2F)CC1 ZINC000106943361 876280563 /nfs/dbraw/zinc/28/05/63/876280563.db2.gz VXRNZCCJYAREPS-UHFFFAOYSA-N 0 1 392.425 3.568 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3cccc(F)c3OC(F)F)cc2)CC1 ZINC000850072941 876637898 /nfs/dbraw/zinc/63/78/98/876637898.db2.gz QXJAHSXJGZMCKH-UHFFFAOYSA-N 0 1 394.437 3.926 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850428374 876911582 /nfs/dbraw/zinc/91/15/82/876911582.db2.gz OAAPNIGPOFMPIJ-JKSUJKDBSA-N 0 1 385.464 3.852 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1[O-] ZINC000850580890 877054564 /nfs/dbraw/zinc/05/45/64/877054564.db2.gz BPBXARJPDUUMJN-GLEZIHRCSA-N 0 1 390.199 3.956 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000787292280 877298785 /nfs/dbraw/zinc/29/87/85/877298785.db2.gz ZSLIOORAIBJIEP-AWEZNQCLSA-N 0 1 381.245 3.732 20 10 GHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000093385555 912234886 /nfs/dbraw/zinc/23/48/86/912234886.db2.gz IORQWUJZXMXSRB-INIZCTEOSA-N 0 1 393.256 3.531 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179776099 878004842 /nfs/dbraw/zinc/00/48/42/878004842.db2.gz GWDSQTFNJPUTHC-CYBMUJFWSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179776099 878004862 /nfs/dbraw/zinc/00/48/62/878004862.db2.gz GWDSQTFNJPUTHC-CYBMUJFWSA-N 0 1 387.281 3.577 20 10 GHCDMN Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000852287562 878199958 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CN(C)c1ccc(CN(C)C(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000180856338 879411659 /nfs/dbraw/zinc/41/16/59/879411659.db2.gz QTCXEGRBOANGCS-UHFFFAOYSA-N 0 1 375.463 3.514 20 10 GHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC001203565211 912465282 /nfs/dbraw/zinc/46/52/82/912465282.db2.gz WMERWMXRGZTOJX-TVQRCGJNSA-N 0 1 393.119 3.510 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790346732 879615120 /nfs/dbraw/zinc/61/51/20/879615120.db2.gz SGVCWGMWMJBBHW-UHFFFAOYSA-N 0 1 391.367 3.721 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000772804158 881246595 /nfs/dbraw/zinc/24/65/95/881246595.db2.gz SWVTXXMCUJCHCT-QGZVFWFLSA-N 0 1 380.941 3.580 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000772804158 881246609 /nfs/dbraw/zinc/24/66/09/881246609.db2.gz SWVTXXMCUJCHCT-QGZVFWFLSA-N 0 1 380.941 3.580 20 10 GHCDMN O=C(C=C1CCSCC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000772804158 881246629 /nfs/dbraw/zinc/24/66/29/881246629.db2.gz SWVTXXMCUJCHCT-QGZVFWFLSA-N 0 1 380.941 3.580 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cc(Br)ccc1[O-] ZINC000858540046 883184416 /nfs/dbraw/zinc/18/44/16/883184416.db2.gz UFFGDUIBMODLRH-AWEZNQCLSA-N 0 1 391.265 3.841 20 10 GHCDMN CCN(CC)[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804735893 883318401 /nfs/dbraw/zinc/31/84/01/883318401.db2.gz HRIBPIFNZRAIPJ-SFHVURJKSA-N 0 1 391.309 3.854 20 10 GHCDMN Cc1nc2ccccc2n1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804871207 883410571 /nfs/dbraw/zinc/41/05/71/883410571.db2.gz VGQCQJKWYZMCIN-UHFFFAOYSA-N 0 1 393.274 3.857 20 10 GHCDMN CO[C@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)CC(C)C ZINC001130004613 883488400 /nfs/dbraw/zinc/48/84/00/883488400.db2.gz SUJKEWBSWNPJQF-SFHVURJKSA-N 0 1 385.552 3.585 20 10 GHCDMN O=S(=O)(NCCCSc1nccs1)c1c(Cl)ccc(F)c1F ZINC000805001299 883547078 /nfs/dbraw/zinc/54/70/78/883547078.db2.gz MOYJWJSDXMZBAX-UHFFFAOYSA-N 0 1 384.882 3.535 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc2ncccc2c1 ZINC000805135481 883616911 /nfs/dbraw/zinc/61/69/11/883616911.db2.gz MHQFRFOHEGRWIZ-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000805241546 883685648 /nfs/dbraw/zinc/68/56/48/883685648.db2.gz APGYMTQWPBDHCF-YRGRVCCFSA-N 0 1 393.361 3.878 20 10 GHCDMN CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275237794 912787433 /nfs/dbraw/zinc/78/74/33/912787433.db2.gz ZXOPWXCGUSSHGA-BLVKFPJESA-N 0 1 399.318 3.839 20 10 GHCDMN O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000795755443 912790137 /nfs/dbraw/zinc/79/01/37/912790137.db2.gz OQJRLAFSUOBHOV-GOSISDBHSA-N 0 1 383.492 3.964 20 10 GHCDMN O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000795755443 912790143 /nfs/dbraw/zinc/79/01/43/912790143.db2.gz OQJRLAFSUOBHOV-GOSISDBHSA-N 0 1 383.492 3.964 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(c2nnc4n2CCC4)CC1)CCCC3 ZINC000918755313 884293054 /nfs/dbraw/zinc/29/30/54/884293054.db2.gz KQYCMPMZEKRGKY-UHFFFAOYSA-N 0 1 392.503 3.935 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@]12CC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001275241986 912814782 /nfs/dbraw/zinc/81/47/82/912814782.db2.gz OQVIOSOPTVULRL-IBGZPJMESA-N 0 1 393.325 3.522 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001275241986 912814798 /nfs/dbraw/zinc/81/47/98/912814798.db2.gz OQVIOSOPTVULRL-IBGZPJMESA-N 0 1 393.325 3.522 20 10 GHCDMN COc1cccc([C@@H](O)C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)c1 ZINC000860142547 884363592 /nfs/dbraw/zinc/36/35/92/884363592.db2.gz QXESTYDPFDIXCT-NRFANRHFSA-N 0 1 387.451 3.688 20 10 GHCDMN COc1ccc(CCNC(=S)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806599685 884843350 /nfs/dbraw/zinc/84/33/50/884843350.db2.gz XGJDLQKQPSJKHI-UHFFFAOYSA-N 0 1 385.316 3.914 20 10 GHCDMN O=C(/C=C\c1cccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761981904 885087171 /nfs/dbraw/zinc/08/71/71/885087171.db2.gz JNLGNDRFQOGAGV-QKIRZYONSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1cccs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981904 885087180 /nfs/dbraw/zinc/08/71/80/885087180.db2.gz JNLGNDRFQOGAGV-QKIRZYONSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1cccs1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761981904 885087194 /nfs/dbraw/zinc/08/71/94/885087194.db2.gz JNLGNDRFQOGAGV-QKIRZYONSA-N 0 1 376.909 3.901 20 10 GHCDMN CSCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807513273 885498463 /nfs/dbraw/zinc/49/84/63/885498463.db2.gz XFOFLXDDSNMDNI-UHFFFAOYSA-N 0 1 399.299 3.817 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)c1 ZINC000861590673 885671398 /nfs/dbraw/zinc/67/13/98/885671398.db2.gz BNFCHHRBLXRZOI-UHFFFAOYSA-N 0 1 390.487 3.958 20 10 GHCDMN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839020 885768821 /nfs/dbraw/zinc/76/88/21/885768821.db2.gz FXYXJQYRNSPKCN-UHFFFAOYSA-N 0 1 393.270 3.685 20 10 GHCDMN CCc1nc2ccccc2n1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838958 885769333 /nfs/dbraw/zinc/76/93/33/885769333.db2.gz UISKTOUIBDFJKW-UHFFFAOYSA-N 0 1 378.259 3.928 20 10 GHCDMN COc1ccc(-n2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)n2)cc1 ZINC000807839863 885770830 /nfs/dbraw/zinc/77/08/30/885770830.db2.gz SFZBMYSIOOOZIW-UHFFFAOYSA-N 0 1 392.242 3.823 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(OCC(F)(F)F)n1 ZINC000807839857 885771399 /nfs/dbraw/zinc/77/13/99/885771399.db2.gz SDLHMMNWWRNRLR-UHFFFAOYSA-N 0 1 395.164 3.965 20 10 GHCDMN O=C(CCN1C(=O)CCc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807839881 885771463 /nfs/dbraw/zinc/77/14/63/885771463.db2.gz SVWMAVMFOMFMKZ-UHFFFAOYSA-N 0 1 393.270 3.685 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000807839834 885771604 /nfs/dbraw/zinc/77/16/04/885771604.db2.gz MILHBLFQERFWDR-HNNXBMFYSA-N 0 1 382.243 3.797 20 10 GHCDMN O=C(CCOCC(F)(F)C(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807835578 885798826 /nfs/dbraw/zinc/79/88/26/885798826.db2.gz HZNNOYWACOFNFE-UHFFFAOYSA-N 0 1 396.139 3.920 20 10 GHCDMN COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC ZINC000807835927 885800848 /nfs/dbraw/zinc/80/08/48/885800848.db2.gz MZEUBAFBSAYRCT-UHFFFAOYSA-N 0 1 386.231 3.655 20 10 GHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCc2ccccc2C1 ZINC000807837365 885802592 /nfs/dbraw/zinc/80/25/92/885802592.db2.gz MXRCGTVSRNAKKE-GFCCVEGCSA-N 0 1 379.287 3.762 20 10 GHCDMN CC(C)n1ncc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc21 ZINC000807838460 885804338 /nfs/dbraw/zinc/80/43/38/885804338.db2.gz SAKZAHLUCXXKOF-UHFFFAOYSA-N 0 1 379.247 3.955 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(OCC(F)(F)F)c1 ZINC000807837977 885804354 /nfs/dbraw/zinc/80/43/54/885804354.db2.gz ICRVVHUYZKUXLK-UHFFFAOYSA-N 0 1 395.164 3.965 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(N2CCOC2=O)ccc1F ZINC000807838535 885804517 /nfs/dbraw/zinc/80/45/17/885804517.db2.gz WHDVFDWWVTYJJB-UHFFFAOYSA-N 0 1 399.205 3.725 20 10 GHCDMN O=C1C[C@]2(CCCN(Cc3ccc(N4CCOCC4)cc3)C2)Oc2ccccc21 ZINC000862481434 886401010 /nfs/dbraw/zinc/40/10/10/886401010.db2.gz GMBJEGULWUSUHF-DEOSSOPVSA-N 0 1 392.499 3.523 20 10 GHCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000809691345 887667896 /nfs/dbraw/zinc/66/78/96/887667896.db2.gz LNNJEXVCDPFQGT-AWEZNQCLSA-N 0 1 385.302 3.564 20 10 GHCDMN COC(=O)c1nc([C@@H]2CCCN2Cc2c(O)ccc3ccncc32)sc1C ZINC000794660632 887708048 /nfs/dbraw/zinc/70/80/48/887708048.db2.gz HGFVSNBAUXHKGN-INIZCTEOSA-N 0 1 383.473 3.829 20 10 GHCDMN C[C@H](C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-])NC(=O)OC(C)(C)C ZINC000809712936 887734110 /nfs/dbraw/zinc/73/41/10/887734110.db2.gz GYYZEQOQMHGYJF-VXGBXAGGSA-N 0 1 387.318 3.936 20 10 GHCDMN COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000809713788 887735811 /nfs/dbraw/zinc/73/58/11/887735811.db2.gz ZXDXTSQFIRHUKP-GFCCVEGCSA-N 0 1 393.281 3.670 20 10 GHCDMN C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc(Br)c1O ZINC000809769040 887756684 /nfs/dbraw/zinc/75/66/84/887756684.db2.gz FUCKUATUWNEDHM-GFCCVEGCSA-N 0 1 391.313 3.981 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)ccc1[N+](=O)[O-] ZINC000809770146 887758351 /nfs/dbraw/zinc/75/83/51/887758351.db2.gz RDBQJPKZAZWGHJ-UHFFFAOYSA-N 0 1 392.280 3.896 20 10 GHCDMN CCOc1cccc(CNCc2ccc(C(=O)OC)cc2Br)c1O ZINC000809753141 887794156 /nfs/dbraw/zinc/79/41/56/887794156.db2.gz BCAZFGJESXUVNZ-UHFFFAOYSA-N 0 1 394.265 3.630 20 10 GHCDMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n[nH]1 ZINC000763155500 887916474 /nfs/dbraw/zinc/91/64/74/887916474.db2.gz UNJQKXFOLICOIL-ZDUSSCGKSA-N 0 1 391.435 3.598 20 10 GHCDMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n[nH]1 ZINC000763155499 887916545 /nfs/dbraw/zinc/91/65/45/887916545.db2.gz UNJQKXFOLICOIL-CYBMUJFWSA-N 0 1 391.435 3.598 20 10 GHCDMN CC(=O)N1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000865865872 888620555 /nfs/dbraw/zinc/62/05/55/888620555.db2.gz BTMWZXKUXYDAOY-UHFFFAOYSA-N 0 1 394.302 3.980 20 10 GHCDMN CC(C)(C)c1cc(CNCc2nc3c(c(=O)[nH]2)COCC3)c(O)c(C(C)(C)C)c1 ZINC000865867052 888622316 /nfs/dbraw/zinc/62/23/16/888622316.db2.gz CKRQPIVCSCAQNN-UHFFFAOYSA-N 0 1 399.535 3.845 20 10 GHCDMN CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(N2CCCCC2)cc1 ZINC000154083595 889169029 /nfs/dbraw/zinc/16/90/29/889169029.db2.gz JPWLNQHFFUYWLK-GOSISDBHSA-N 0 1 397.485 3.910 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099952 890244884 /nfs/dbraw/zinc/24/48/84/890244884.db2.gz NFAKGNDTBJKYKN-KBXCAEBGSA-N 0 1 392.471 3.565 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099952 890244899 /nfs/dbraw/zinc/24/48/99/890244899.db2.gz NFAKGNDTBJKYKN-KBXCAEBGSA-N 0 1 392.471 3.565 20 10 GHCDMN COc1ccc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)sc2c1 ZINC001133128036 890294160 /nfs/dbraw/zinc/29/41/60/890294160.db2.gz YAIPMNKYHPAQBX-UHFFFAOYSA-N 0 1 395.528 3.592 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000812772102 890948152 /nfs/dbraw/zinc/94/81/52/890948152.db2.gz IIMTYXPWOAPLSO-CYBMUJFWSA-N 0 1 379.273 3.910 20 10 GHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873008153 891423670 /nfs/dbraw/zinc/42/36/70/891423670.db2.gz OHRVFILIOTUYMB-MRXNPFEDSA-N 0 1 381.476 3.808 20 10 GHCDMN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683267 891874775 /nfs/dbraw/zinc/87/47/75/891874775.db2.gz ZOYUJNUQSKXHPY-UHFFFAOYSA-N 0 1 384.288 3.894 20 10 GHCDMN CCCC[N@@H+](Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])[C@@H](C)CC ZINC000917437849 891961584 /nfs/dbraw/zinc/96/15/84/891961584.db2.gz MPVZMNGWHSKDAA-KRWDZBQOSA-N 0 1 376.541 3.828 20 10 GHCDMN CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1(C)C ZINC001127434103 893093967 /nfs/dbraw/zinc/09/39/67/893093967.db2.gz YFQHDZBQVVQWHY-ZGNKEGEESA-N 0 1 397.563 3.584 20 10 GHCDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876581474 893238024 /nfs/dbraw/zinc/23/80/24/893238024.db2.gz KSSGUZVCLDUPNE-UHFFFAOYSA-N 0 1 381.476 3.721 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])CC2)cs1 ZINC000876806175 893337857 /nfs/dbraw/zinc/33/78/57/893337857.db2.gz LZRAUSJGEDWOBS-ZDUSSCGKSA-N 0 1 397.491 3.542 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815054429 893373041 /nfs/dbraw/zinc/37/30/41/893373041.db2.gz FSFRPUWRVQKWHE-KRWDZBQOSA-N 0 1 382.273 3.719 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815054429 893373059 /nfs/dbraw/zinc/37/30/59/893373059.db2.gz FSFRPUWRVQKWHE-KRWDZBQOSA-N 0 1 382.273 3.719 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000816624689 894954574 /nfs/dbraw/zinc/95/45/74/894954574.db2.gz DHTVIVJGEZJMIT-UHFFFAOYSA-N 0 1 376.294 3.681 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)cc(Br)c1[O-] ZINC000818614970 896217478 /nfs/dbraw/zinc/21/74/78/896217478.db2.gz KAVWICSIDGISAF-ZEGGKSINSA-N 0 1 392.135 3.838 20 10 GHCDMN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC001136256706 896928310 /nfs/dbraw/zinc/92/83/10/896928310.db2.gz IFABVOFXOJQZQV-UHFFFAOYSA-N 0 1 377.375 3.961 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccsn3)no2)C1 ZINC000568721823 898062819 /nfs/dbraw/zinc/06/28/19/898062819.db2.gz MIVKKSFSNYSJNH-UHFFFAOYSA-N 0 1 379.489 3.963 20 10 GHCDMN O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc4n[nH]cc4c3)c21 ZINC001185996695 914222838 /nfs/dbraw/zinc/22/28/38/914222838.db2.gz MNHAQGUSFFLJCA-UHFFFAOYSA-N 0 1 375.409 3.575 20 10 GHCDMN CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)CC1 ZINC000824601145 899713268 /nfs/dbraw/zinc/71/32/68/899713268.db2.gz HFMAQGZFCOJNTC-UHFFFAOYSA-N 0 1 395.341 3.625 20 10 GHCDMN C[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000824809304 899820563 /nfs/dbraw/zinc/82/05/63/899820563.db2.gz SVKDBVAOPDQBIL-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000824809304 899820567 /nfs/dbraw/zinc/82/05/67/899820567.db2.gz SVKDBVAOPDQBIL-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000825113883 899984469 /nfs/dbraw/zinc/98/44/69/899984469.db2.gz LURDVUUKDVLIIY-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN CC(C)Oc1cccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825282911 900069191 /nfs/dbraw/zinc/06/91/91/900069191.db2.gz APJUDHKBIVIHGL-SFHVURJKSA-N 0 1 380.282 3.765 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CNCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000886325950 900935541 /nfs/dbraw/zinc/93/55/41/900935541.db2.gz XBJZQLVNSRAKSO-UHFFFAOYSA-N 0 1 392.330 3.985 20 10 GHCDMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889123 901576254 /nfs/dbraw/zinc/57/62/54/901576254.db2.gz QIMVQQZCZGWPFA-JPQMIFPKSA-N 0 1 382.869 3.884 20 10 GHCDMN C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144306847 901686919 /nfs/dbraw/zinc/68/69/19/901686919.db2.gz UCDDCSYSBZHRDF-UHFFFAOYSA-N 0 1 381.245 3.784 20 10 GHCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639300 914613005 /nfs/dbraw/zinc/61/30/05/914613005.db2.gz AUUXONOKCSQQQF-KSSFIOAISA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639300 914613015 /nfs/dbraw/zinc/61/30/15/914613015.db2.gz AUUXONOKCSQQQF-KSSFIOAISA-N 0 1 384.314 3.562 20 10 GHCDMN COc1cccc(O)c1CNCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC000846061882 902675913 /nfs/dbraw/zinc/67/59/13/902675913.db2.gz WCKOFRAQXNZUNS-UHFFFAOYSA-N 0 1 390.455 3.854 20 10 GHCDMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136098 904466290 /nfs/dbraw/zinc/46/62/90/904466290.db2.gz FRAUTRGONZXXJN-UONOGXRCSA-N 0 1 377.920 3.830 20 10 GHCDMN C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773210712 904572122 /nfs/dbraw/zinc/57/21/22/904572122.db2.gz QIHIWFWYFKETTJ-KRWDZBQOSA-N 0 1 398.526 3.917 20 10 GHCDMN COCCOc1ccc(N2CCN([C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172725496 905774033 /nfs/dbraw/zinc/77/40/33/905774033.db2.gz TWVWIMRDSGTJOF-NRFANRHFSA-N 0 1 386.923 3.655 20 10 GHCDMN CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1ccc(Br)cc1[O-])CC2 ZINC001173606050 906558644 /nfs/dbraw/zinc/55/86/44/906558644.db2.gz NTJQZPPQDCAWIU-SWKXRBFHSA-N 0 1 382.298 3.756 20 10 GHCDMN COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC001173718196 906668771 /nfs/dbraw/zinc/66/87/71/906668771.db2.gz XOQKGIISZIFELS-GFCCVEGCSA-N 0 1 378.266 3.662 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000779459574 907251790 /nfs/dbraw/zinc/25/17/90/907251790.db2.gz SVTFZFIWEVTMJB-UHFFFAOYSA-N 0 1 383.425 3.647 20 10 GHCDMN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185027273 907699265 /nfs/dbraw/zinc/69/92/65/907699265.db2.gz FLASSXMFIMDHGT-LBPRGKRZSA-N 0 1 377.282 3.755 20 10 GHCDMN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185177125 907726732 /nfs/dbraw/zinc/72/67/32/907726732.db2.gz BBJIDSQNDOGPPJ-GFCCVEGCSA-N 0 1 377.282 3.755 20 10 GHCDMN C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(Br)ccc1[O-] ZINC000185546947 907789249 /nfs/dbraw/zinc/78/92/49/907789249.db2.gz WRRVFDMJIVTXEX-CYBMUJFWSA-N 0 1 391.309 3.750 20 10 GHCDMN CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccc(F)c(F)c3O)c2)CC1 ZINC000187927516 908156435 /nfs/dbraw/zinc/15/64/35/908156435.db2.gz SIVSFFLVQGNVFG-CYBMUJFWSA-N 0 1 375.419 3.512 20 10 GHCDMN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000191554983 908641941 /nfs/dbraw/zinc/64/19/41/908641941.db2.gz WBQDQMHANMCFSS-JTQLQIEISA-N 0 1 399.310 3.681 20 10 GHCDMN CCCN(CCC)c1ccc(CNC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC001177679646 908693228 /nfs/dbraw/zinc/69/32/28/908693228.db2.gz YANCKCTZQMAFAP-LJQANCHMSA-N 0 1 398.473 3.586 20 10 GHCDMN Cc1cc(NCc2cc(Cl)cc(Br)c2O)ccc1-n1cnnn1 ZINC001178090815 908899762 /nfs/dbraw/zinc/89/97/62/908899762.db2.gz YWODFQUTICJHFE-UHFFFAOYSA-N 0 1 394.660 3.704 20 10 GHCDMN COc1cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(O)c(C(C)(C)C)c1 ZINC001179353218 909479509 /nfs/dbraw/zinc/47/95/09/909479509.db2.gz PDWPRMXUPMTANL-NRFANRHFSA-N 0 1 388.464 3.604 20 10 GHCDMN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001180172855 909974235 /nfs/dbraw/zinc/97/42/35/909974235.db2.gz BVUDHLMMFSZNQP-UHFFFAOYSA-N 0 1 383.673 3.539 20 10 GHCDMN CCCc1[nH]ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000817550902 911015069 /nfs/dbraw/zinc/01/50/69/911015069.db2.gz ZZNSIEMUYCMLIO-INIZCTEOSA-N 0 1 375.900 3.721 20 10 GHCDMN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000283075331 911362195 /nfs/dbraw/zinc/36/21/95/911362195.db2.gz VCZZKIZUWBRMOZ-MRXNPFEDSA-N 0 1 390.281 3.551 20 10 GHCDMN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000774452913 911758257 /nfs/dbraw/zinc/75/82/57/911758257.db2.gz PMQLOTIDFGBCOY-DZGCQCFKSA-N 0 1 393.329 3.516 20 10 GHCDMN O=C(c1cc(-c2cccs2)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000097576259 915704748 /nfs/dbraw/zinc/70/47/48/915704748.db2.gz XDCWDFLSSNAVDH-OAHLLOKOSA-N 0 1 383.473 3.665 20 10 GHCDMN Cc1cc(Cl)cc(CN2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000809670703 916316798 /nfs/dbraw/zinc/31/67/98/916316798.db2.gz PISMVCVYVWWXEH-IRXDYDNUSA-N 0 1 396.915 3.564 20 10 GHCDMN COC[C@@H](C)Cc1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000650655129 917213552 /nfs/dbraw/zinc/21/35/52/917213552.db2.gz NGOPUFJHCQSHMO-INIZCTEOSA-N 0 1 382.508 3.664 20 10 GHCDMN Oc1cccc2c1[C@@H](NCc1nnc3c(Cl)cc(C(F)(F)F)cn13)CC2 ZINC000296117306 917865679 /nfs/dbraw/zinc/86/56/79/917865679.db2.gz VBCRHALIDPRHFI-LBPRGKRZSA-N 0 1 382.773 3.884 20 10 GHCDMN CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000800502712 920198618 /nfs/dbraw/zinc/19/86/18/920198618.db2.gz GBZFBMWPYUMINN-SFHVURJKSA-N 0 1 381.925 3.744 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c1[O-] ZINC000800506594 920215080 /nfs/dbraw/zinc/21/50/80/920215080.db2.gz WMTUHKAHONZZQQ-HXUWFJFHSA-N 0 1 396.874 3.941 20 10 GHCDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)c1ccccc1 ZINC000749024193 923983864 /nfs/dbraw/zinc/98/38/64/923983864.db2.gz SZFSNQMTFHJCMU-KRWDZBQOSA-N 0 1 375.472 3.582 20 10 GHCDMN O=C(NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1)c1ccccc1 ZINC000749024193 923983872 /nfs/dbraw/zinc/98/38/72/923983872.db2.gz SZFSNQMTFHJCMU-KRWDZBQOSA-N 0 1 375.472 3.582 20 10 GHCDMN C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1nnc2n1CCCCC2 ZINC000371863722 924921393 /nfs/dbraw/zinc/92/13/93/924921393.db2.gz IPAIBKRXIRQQMG-RYUDHWBXSA-N 0 1 379.302 3.884 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000827942360 926352053 /nfs/dbraw/zinc/35/20/53/926352053.db2.gz PCVYTJZPEXTYFE-KRWDZBQOSA-N 0 1 377.282 3.543 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000726248197 926609775 /nfs/dbraw/zinc/60/97/75/926609775.db2.gz UMOXSJFPBGJKKP-FQEVSTJZSA-N 0 1 384.524 3.544 20 10 GHCDMN C[C@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1cc(F)cc(F)c1[O-] ZINC000757654085 929760157 /nfs/dbraw/zinc/76/01/57/929760157.db2.gz ADHNKDFVUJFZPX-ZDUSSCGKSA-N 0 1 376.447 3.973 20 10 GHCDMN C[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc(F)cc(F)c1[O-] ZINC000757654085 929760164 /nfs/dbraw/zinc/76/01/64/929760164.db2.gz ADHNKDFVUJFZPX-ZDUSSCGKSA-N 0 1 376.447 3.973 20 10 GHCDMN COC(=O)c1ccccc1OCCN(Cc1ccco1)Cc1ccccc1O ZINC000782483559 931237711 /nfs/dbraw/zinc/23/77/11/931237711.db2.gz YCPUTRUBSYVLJI-UHFFFAOYSA-N 0 1 381.428 3.853 20 10 GHCDMN CO[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000783021847 931387668 /nfs/dbraw/zinc/38/76/68/931387668.db2.gz WDWUBHSMBOVFJE-SFHVURJKSA-N 0 1 384.476 3.506 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCSC2)C1 ZINC000557983670 931786237 /nfs/dbraw/zinc/78/62/37/931786237.db2.gz MNQACKHIOXSLRG-QGZVFWFLSA-N 0 1 385.577 3.667 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000777590629 932093896 /nfs/dbraw/zinc/09/38/96/932093896.db2.gz FTLYKRBKCWXMOU-MRXNPFEDSA-N 0 1 397.880 3.794 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C2CCC2)c1 ZINC000926559649 932228022 /nfs/dbraw/zinc/22/80/22/932228022.db2.gz OCKBZRWRYFKKLC-CQSZACIVSA-N 0 1 376.451 3.574 20 10 GHCDMN Cc1ccc([C@H](NCc2cc(Cl)cc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000798088352 932525493 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COc1ccc(N2CCC[N@@H+](Cc3ccc(C4(C(=O)[O-])CC4)cc3)CC2)cc1 ZINC001599585032 993601793 /nfs/dbraw/zinc/60/17/93/993601793.db2.gz FIECLAMKMGACQN-UHFFFAOYSA-N 0 1 380.488 3.524 20 10 GHCDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167081 998641116 /nfs/dbraw/zinc/64/11/16/998641116.db2.gz JGNYALPTAUNQKK-ZFWWWQNUSA-N 0 1 381.314 3.734 20 10 GHCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC001221080407 1032272008 /nfs/dbraw/zinc/27/20/08/1032272008.db2.gz HCMMNZWRIJVVHS-QFIPXVFZSA-N 0 1 398.526 3.870 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](c2cccnc2)C2CC2)c1O ZINC001227495819 1032441164 /nfs/dbraw/zinc/44/11/64/1032441164.db2.gz XOGBAJTWAMUZDH-AWEZNQCLSA-N 0 1 391.445 3.732 20 10 GHCDMN CCOC[C@H](C)Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227662419 1032510000 /nfs/dbraw/zinc/51/00/00/1032510000.db2.gz LNFMAULHGLUTMI-VIFPVBQESA-N 0 1 386.356 3.613 20 10 GHCDMN CN(C)c1ccc(/C=C\CN2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC001204189003 1032644293 /nfs/dbraw/zinc/64/42/93/1032644293.db2.gz ZDJDJOLBPCQVCX-VURMDHGXSA-N 0 1 379.504 3.973 20 10 GHCDMN c1nc(COCC2CC2)c2n1CCCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204322607 1032765675 /nfs/dbraw/zinc/76/56/75/1032765675.db2.gz LGJHFXNTRNMKHY-UHFFFAOYSA-N 0 1 380.536 3.816 20 10 GHCDMN Cc1cc(Cc2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)no1 ZINC000572442908 1019778299 /nfs/dbraw/zinc/77/82/99/1019778299.db2.gz LUILOBSAIJEAFW-UHFFFAOYSA-N 0 1 391.475 3.726 20 10 GHCDMN Cc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000779447668 1020796403 /nfs/dbraw/zinc/79/64/03/1020796403.db2.gz NYOXBHKIUPWNNO-HXUWFJFHSA-N 0 1 389.434 3.871 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(C)nc4sccc43)CC2)cc1 ZINC001156256499 1032945248 /nfs/dbraw/zinc/94/52/48/1032945248.db2.gz BLRAHZHRFOSJIG-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4sc(C)cc43)CC2)cc1 ZINC001156257584 1032945409 /nfs/dbraw/zinc/94/54/09/1032945409.db2.gz ZCKHBYBHTVDWHT-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN COc1ccc(N2CCCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000193764531 1020949303 /nfs/dbraw/zinc/94/93/03/1020949303.db2.gz XNFOHQKOYYNVLW-FQEVSTJZSA-N 0 1 394.437 3.960 20 10 GHCDMN COc1ccc(NC(=O)NC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC001140342308 1021455521 /nfs/dbraw/zinc/45/55/21/1021455521.db2.gz CTZVNWCFEBHNNQ-UHFFFAOYSA-N 0 1 389.883 3.840 20 10 GHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)NCCc1ccccc1 ZINC000834913753 1021676236 /nfs/dbraw/zinc/67/62/36/1021676236.db2.gz JFCWHKCSSWHWJE-ZIAGYGMSSA-N 0 1 391.309 3.553 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)ccc1[O-] ZINC000834915775 1021678399 /nfs/dbraw/zinc/67/83/99/1021678399.db2.gz ZVKUUAJNJZBAFP-KMFMINBZSA-N 0 1 394.313 3.849 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001140466567 1021759356 /nfs/dbraw/zinc/75/93/56/1021759356.db2.gz GTFLENWQXITEIM-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001140466567 1021759373 /nfs/dbraw/zinc/75/93/73/1021759373.db2.gz GTFLENWQXITEIM-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(Cl)cc4[O-])C3)C2=O)c1 ZINC001140466840 1021764134 /nfs/dbraw/zinc/76/41/34/1021764134.db2.gz JOGQABHPDUDSER-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(Cl)cc4[O-])C3)C2=O)c1 ZINC001140466840 1021764153 /nfs/dbraw/zinc/76/41/53/1021764153.db2.gz JOGQABHPDUDSER-QFIPXVFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC(Sc2ccncc2)CC1 ZINC001140663340 1022202641 /nfs/dbraw/zinc/20/26/41/1022202641.db2.gz ASVUYUZDPBITTN-UHFFFAOYSA-N 0 1 387.524 3.814 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC001204850211 1033119982 /nfs/dbraw/zinc/11/99/82/1033119982.db2.gz IKGPGKIBKDWRHX-UHFFFAOYSA-N 0 1 392.446 3.635 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030926 1023296499 /nfs/dbraw/zinc/29/64/99/1023296499.db2.gz RAPKDNJYCDKQQJ-DENIHFKCSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030926 1023296504 /nfs/dbraw/zinc/29/65/04/1023296504.db2.gz RAPKDNJYCDKQQJ-DENIHFKCSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030928 1023296687 /nfs/dbraw/zinc/29/66/87/1023296687.db2.gz RAPKDNJYCDKQQJ-SIKLNZKXSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141030928 1023296693 /nfs/dbraw/zinc/29/66/93/1023296693.db2.gz RAPKDNJYCDKQQJ-SIKLNZKXSA-N 0 1 399.487 3.721 20 10 GHCDMN COC(=O)[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2ccccc21 ZINC001141078077 1023443978 /nfs/dbraw/zinc/44/39/78/1023443978.db2.gz JRBHKEHQNCYOAG-QFIPXVFZSA-N 0 1 376.500 3.658 20 10 GHCDMN COc1ccc2nc(Cl)nc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC001156651405 1033155016 /nfs/dbraw/zinc/15/50/16/1033155016.db2.gz NAGPRIWQAYYDEF-UHFFFAOYSA-N 0 1 397.910 3.656 20 10 GHCDMN COc1ccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)c(C)cc2c1 ZINC001156652985 1033156200 /nfs/dbraw/zinc/15/62/00/1033156200.db2.gz ZQYHNZFKUWRILO-UHFFFAOYSA-N 0 1 376.504 3.916 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4cccc(F)c43)cc2)CC1 ZINC001156655501 1033158881 /nfs/dbraw/zinc/15/88/81/1033158881.db2.gz FULLSCVSJPBGAJ-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc(Oc4ccccc4)ncn3)cc2)CC1 ZINC001156656476 1033158982 /nfs/dbraw/zinc/15/89/82/1033158982.db2.gz VXRNTOBLYDSUNE-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)nc4ccc(F)cc43)cc2)CC1 ZINC001156655723 1033159023 /nfs/dbraw/zinc/15/90/23/1033159023.db2.gz HFOUWKQDFTZYEB-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)cc(OC)c1 ZINC000756648440 1023753162 /nfs/dbraw/zinc/75/31/62/1023753162.db2.gz WJNDLCSIMXOMBB-PBHICJAKSA-N 0 1 390.911 3.988 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756673934 1023769283 /nfs/dbraw/zinc/76/92/83/1023769283.db2.gz CVRLEHDVEYDIGZ-CXAGYDPISA-N 0 1 389.293 3.606 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756673909 1023769416 /nfs/dbraw/zinc/76/94/16/1023769416.db2.gz BDGVARRBSVUFOR-GUYCJALGSA-N 0 1 389.293 3.606 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000756707774 1023783223 /nfs/dbraw/zinc/78/32/23/1023783223.db2.gz YDVMHCNZRPRTOP-LLVKDONJSA-N 0 1 397.700 3.889 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1 ZINC001156658419 1033161464 /nfs/dbraw/zinc/16/14/64/1033161464.db2.gz BWZPYZDFXACBPI-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156660689 1033163294 /nfs/dbraw/zinc/16/32/94/1033163294.db2.gz YYLFWNYEYSZGHQ-UHFFFAOYSA-N 0 1 391.494 3.955 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001138126919 1024173054 /nfs/dbraw/zinc/17/30/54/1024173054.db2.gz MQBWRTBLPPGXTO-WIYYLYMNSA-N 0 1 390.430 3.516 20 10 GHCDMN Cc1ccc2c(c1)CCN2C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000831663655 1024715213 /nfs/dbraw/zinc/71/52/13/1024715213.db2.gz LUUSUXBKLHDTFP-INIZCTEOSA-N 0 1 396.491 3.645 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)c(OC)c1 ZINC001138391072 1024766771 /nfs/dbraw/zinc/76/67/71/1024766771.db2.gz BLHDBAFTXWUCQZ-MJGOQNOKSA-N 0 1 389.540 3.593 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3nccnc3C)C2)c(OC)c1 ZINC001138391905 1024768667 /nfs/dbraw/zinc/76/86/67/1024768667.db2.gz IOIRVCOTKAMBSG-HXUWFJFHSA-N 0 1 384.524 3.683 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3[nH]c4ccc(F)cc4c3C)CC2)cc1 ZINC001138414341 1024800398 /nfs/dbraw/zinc/80/03/98/1024800398.db2.gz YHXGPITXJRAEKC-UHFFFAOYSA-N 0 1 397.494 3.963 20 10 GHCDMN COCCC1CCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138679292 1025204411 /nfs/dbraw/zinc/20/44/11/1025204411.db2.gz WXPVRTSUCOWVLU-UHFFFAOYSA-N 0 1 397.357 3.534 20 10 GHCDMN COc1cccc(O[C@H]2CCC[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)c1 ZINC001139129363 1025941509 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Cc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c2cn[nH]c21 ZINC001215759150 1029382119 /nfs/dbraw/zinc/38/21/19/1029382119.db2.gz HBSISTRIMULOPU-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000842614366 1029415223 /nfs/dbraw/zinc/41/52/23/1029415223.db2.gz HRZXHQQRCQEDMG-XLIONFOSSA-N 0 1 381.472 3.720 20 10 GHCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000842644137 1029451311 /nfs/dbraw/zinc/45/13/11/1029451311.db2.gz QREMMZRUEDASFW-LJQANCHMSA-N 0 1 396.409 3.518 20 10 GHCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000842644137 1029451313 /nfs/dbraw/zinc/45/13/13/1029451313.db2.gz QREMMZRUEDASFW-LJQANCHMSA-N 0 1 396.409 3.518 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(=O)NCc1cccs1 ZINC000842908050 1029677059 /nfs/dbraw/zinc/67/70/59/1029677059.db2.gz KITLIASRZKNNIG-XHDPSFHLSA-N 0 1 397.338 3.962 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCCn3nnc(COCC4CC4)c3C2)c1O 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GPEZZESEXATNBV-HFBAOOFYSA-N 0 1 399.304 3.658 20 10 GHCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(OC)c1O ZINC001277067327 1031561745 /nfs/dbraw/zinc/56/17/45/1031561745.db2.gz YWUHXYGGCHSQRD-JLTOFOAXSA-N 0 1 380.916 3.810 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(OC)c1O ZINC001277066853 1031562816 /nfs/dbraw/zinc/56/28/16/1031562816.db2.gz IYYXEGXZMSULRI-FQEVSTJZSA-N 0 1 380.916 3.811 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cnc(CC(F)(F)F)s3)CC2)cc1 ZINC001204382669 1031956149 /nfs/dbraw/zinc/95/61/49/1031956149.db2.gz XVAJEGVULWRTQO-UHFFFAOYSA-N 0 1 385.455 3.969 20 10 GHCDMN O=C1c2ccc(OC[C@@H]3CC[C@]4(CCCCO4)O3)cc2C(=O)c2ccc(O)cc21 ZINC001229192799 1033333021 /nfs/dbraw/zinc/33/30/21/1033333021.db2.gz UJIFFZVAKUBKHD-HJPURHCSSA-N 0 1 394.423 3.622 20 10 GHCDMN CCC[C@@H](C)[C@@H](CC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229776737 1033705706 /nfs/dbraw/zinc/70/57/06/1033705706.db2.gz KYFZLIBKVBJIBK-NOZJJQNGSA-N 0 1 390.388 3.610 20 10 GHCDMN COC(=O)c1c(CN2CC[C@@H](N(C)c3ccccc3)C2)c2cc(F)ccc2n1C ZINC001206826890 1034007687 /nfs/dbraw/zinc/00/76/87/1034007687.db2.gz FWFWKAHNXFOZIA-GOSISDBHSA-N 0 1 395.478 3.815 20 10 GHCDMN CCCCN1CC[C@]2(CCCN2Cc2cc(Br)c(F)cc2O)C1=O ZINC001276517544 1034211536 /nfs/dbraw/zinc/21/15/36/1034211536.db2.gz CGSVYJQPGYVLSV-GOSISDBHSA-N 0 1 399.304 3.661 20 10 GHCDMN COc1ccc(Br)c(CN2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001231549659 1034704115 /nfs/dbraw/zinc/70/41/15/1034704115.db2.gz DHTXXPUNHGCNCM-KBPBESRZSA-N 0 1 388.261 3.575 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@@H]2CCCC=C21 ZINC001231569381 1034718548 /nfs/dbraw/zinc/71/85/48/1034718548.db2.gz XISKYTVEWJDYTE-MRXNPFEDSA-N 0 1 388.464 3.580 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)[C@@H]2CCCC=C21 ZINC001231569381 1034718556 /nfs/dbraw/zinc/71/85/56/1034718556.db2.gz XISKYTVEWJDYTE-MRXNPFEDSA-N 0 1 388.464 3.580 20 10 GHCDMN COC[C@@H]1CN(Cc2c(O)ccc3ccccc32)Cc2nn(CC3CC3)cc21 ZINC001231586607 1034738239 /nfs/dbraw/zinc/73/82/39/1034738239.db2.gz JJZPJMOZIRSRAJ-SFHVURJKSA-N 0 1 377.488 3.898 20 10 GHCDMN C[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001231590049 1034744449 /nfs/dbraw/zinc/74/44/49/1034744449.db2.gz ZQNNAEIBSIXSOH-OAQYLSRUSA-N 0 1 376.500 3.878 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001231849690 1034940135 /nfs/dbraw/zinc/94/01/35/1034940135.db2.gz WOXYYRWTELWDTA-IRXDYDNUSA-N 0 1 391.556 3.886 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001231851548 1034942814 /nfs/dbraw/zinc/94/28/14/1034942814.db2.gz DSIONTQLRQERKE-JOCHJYFZSA-N 0 1 399.560 3.842 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC(n2c3ccccc3oc2=O)CC1 ZINC001231852824 1034943704 /nfs/dbraw/zinc/94/37/04/1034943704.db2.gz ANTZODIXUCHRSS-UHFFFAOYSA-N 0 1 381.476 3.506 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1Cl ZINC001231866702 1034954034 /nfs/dbraw/zinc/95/40/34/1034954034.db2.gz HVQBVZRBFRBEMR-QVKFZJNVSA-N 0 1 385.895 3.624 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1Cl ZINC001231866702 1034954038 /nfs/dbraw/zinc/95/40/38/1034954038.db2.gz HVQBVZRBFRBEMR-QVKFZJNVSA-N 0 1 385.895 3.624 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)cc1Cl ZINC001231871967 1034958650 /nfs/dbraw/zinc/95/86/50/1034958650.db2.gz SQAUUPCDTDNPGL-UHFFFAOYSA-N 0 1 390.833 3.731 20 10 GHCDMN COCCOc1ccc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)cc1 ZINC001231884322 1034966933 /nfs/dbraw/zinc/96/69/33/1034966933.db2.gz ZTZMGXXZBXTZET-UHFFFAOYSA-N 0 1 392.499 3.893 20 10 GHCDMN [O-]c1c(Cl)cccc1CN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001231911515 1034985254 /nfs/dbraw/zinc/98/52/54/1034985254.db2.gz MVRUVIHVRNGEAY-AEFFLSMTSA-N 0 1 376.859 3.522 20 10 GHCDMN CCOC[C@H]1CN(Cc2cccc(Cl)c2O)Cc2ncn(CC3CC3)c21 ZINC001231911007 1034985648 /nfs/dbraw/zinc/98/56/48/1034985648.db2.gz YIPZYOHGKPCRMA-MRXNPFEDSA-N 0 1 375.900 3.788 20 10 GHCDMN COC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)c(Cl)c1 ZINC001231912863 1034986670 /nfs/dbraw/zinc/98/66/70/1034986670.db2.gz CMYNSVYLWUCVTB-UHFFFAOYSA-N 0 1 395.286 3.808 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1 ZINC001209517347 1035300299 /nfs/dbraw/zinc/30/02/99/1035300299.db2.gz BVCDZHPABKLBHC-UHFFFAOYSA-N 0 1 381.911 3.860 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)cc1 ZINC001209517342 1035300477 /nfs/dbraw/zinc/30/04/77/1035300477.db2.gz FYTOPUSQUJYQBS-MDNUFGMLSA-N 0 1 395.547 3.598 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(F)CC2)cc1I ZINC001248462054 1035885133 /nfs/dbraw/zinc/88/51/33/1035885133.db2.gz LWUOWJAYVVWWJH-OAHLLOKOSA-N 0 1 393.240 3.720 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(F)CC2)cc1I ZINC001248462054 1035885158 /nfs/dbraw/zinc/88/51/58/1035885158.db2.gz LWUOWJAYVVWWJH-OAHLLOKOSA-N 0 1 393.240 3.720 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232257478 1037980241 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C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1[O-] ZINC000185213571 865780710 /nfs/dbraw/zinc/78/07/10/865780710.db2.gz HKGZYIKIDRTGSQ-SFHVURJKSA-N 0 1 389.499 3.545 20 10 GHCDMN CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000174450522 865806205 /nfs/dbraw/zinc/80/62/05/865806205.db2.gz DPZPXUYLYDRSTR-UHFFFAOYSA-N 0 1 381.432 3.815 20 10 GHCDMN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c(C(F)(F)F)c1 ZINC000793076480 881912571 /nfs/dbraw/zinc/91/25/71/881912571.db2.gz JUFIDOFISUPDRV-QGZVFWFLSA-N 0 1 375.398 3.769 20 10 GHCDMN COc1cc(Br)cc(CNCc2nc3c(s2)CCCC3)c1O ZINC000741160917 866275458 /nfs/dbraw/zinc/27/54/58/866275458.db2.gz YVMDUXKLLPRNGB-UHFFFAOYSA-N 0 1 383.311 3.788 20 10 GHCDMN [O-]c1c(Br)cccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793246443 882043027 /nfs/dbraw/zinc/04/30/27/882043027.db2.gz HSIMPNPKTGYYMA-HDICACEKSA-N 0 1 387.321 3.719 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccco1 ZINC000742403085 867294305 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GHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001193612510 871187757 /nfs/dbraw/zinc/18/77/57/871187757.db2.gz PHKBWEJAVZCYOH-KGLIPLIRSA-N 0 1 398.887 3.659 20 10 GHCDMN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193625126 871194494 /nfs/dbraw/zinc/19/44/94/871194494.db2.gz MKGOHTGZYHIISC-LBPRGKRZSA-N 0 1 381.787 3.700 20 10 GHCDMN O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193626363 871195886 /nfs/dbraw/zinc/19/58/86/871195886.db2.gz VIULHVNWKASCTB-UHFFFAOYSA-N 0 1 380.791 3.942 20 10 GHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001193602357 871210021 /nfs/dbraw/zinc/21/00/21/871210021.db2.gz AKYOLTFNTBNPKZ-IERDGZPVSA-N 0 1 387.863 3.930 20 10 GHCDMN COc1cccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000857758745 882519942 /nfs/dbraw/zinc/51/99/42/882519942.db2.gz PUCIGOBFEHNLBR-LJQANCHMSA-N 0 1 395.547 3.822 20 10 GHCDMN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC001169747875 871819194 /nfs/dbraw/zinc/81/91/94/871819194.db2.gz PXDAAMHCYAVKES-KRWDZBQOSA-N 0 1 389.293 3.549 20 10 GHCDMN O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000101537723 872074546 /nfs/dbraw/zinc/07/45/46/872074546.db2.gz ZAWIRPBNMQBUBF-UHFFFAOYSA-N 0 1 385.467 3.985 20 10 GHCDMN Cc1cccc(CN2CCN(Cc3ccc(Br)s3)CC2)c1O ZINC000775646276 872264555 /nfs/dbraw/zinc/26/45/55/872264555.db2.gz IXDNCTMZDATCRE-UHFFFAOYSA-N 0 1 381.339 3.842 20 10 GHCDMN Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)cc1F ZINC000775649903 872355750 /nfs/dbraw/zinc/35/57/50/872355750.db2.gz UTOBDDYMZIDMQC-UHFFFAOYSA-N 0 1 380.822 3.590 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2n[nH]c3ccccc32)C1 ZINC000767510700 872582414 /nfs/dbraw/zinc/58/24/14/872582414.db2.gz LOFFSTSWXJCTMC-UHFFFAOYSA-N 0 1 387.487 3.923 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000742161829 872809305 /nfs/dbraw/zinc/80/93/05/872809305.db2.gz SKLJYJOZPGUPLX-UHFFFAOYSA-N 0 1 381.472 3.721 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(F)c(F)c(F)c1 ZINC000768915056 873682996 /nfs/dbraw/zinc/68/29/96/873682996.db2.gz IMHABRLSYLNLBY-AWEZNQCLSA-N 0 1 398.812 3.857 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc2ccccc2[nH]1 ZINC000768915072 873683377 /nfs/dbraw/zinc/68/33/77/873683377.db2.gz IUBNGAZEGDYSGV-QGZVFWFLSA-N 0 1 383.879 3.921 20 10 GHCDMN Cc1ccc(F)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768916945 873686333 /nfs/dbraw/zinc/68/63/33/873686333.db2.gz VGMRXKINROOZNG-KRWDZBQOSA-N 0 1 376.859 3.888 20 10 GHCDMN Oc1ccc(CN2CCC(Oc3ccc(Br)cc3)CC2)cc1O ZINC001203882575 873989427 /nfs/dbraw/zinc/98/94/27/873989427.db2.gz MREKAPYSZVBSCX-UHFFFAOYSA-N 0 1 378.266 3.904 20 10 GHCDMN CN(Cc1cc(Br)ccc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000769411618 874030040 /nfs/dbraw/zinc/03/00/40/874030040.db2.gz JOPUVVFNIUZCLF-INIZCTEOSA-N 0 1 393.256 3.531 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769422388 874039725 /nfs/dbraw/zinc/03/97/25/874039725.db2.gz BLTXTBIJQSBWLS-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000858100022 882844557 /nfs/dbraw/zinc/84/45/57/882844557.db2.gz GYABXLSMRDFRTK-UHFFFAOYSA-N 0 1 393.350 3.998 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000858099550 882845146 /nfs/dbraw/zinc/84/51/46/882845146.db2.gz PTRNZBVNHCGPKT-UHFFFAOYSA-N 0 1 376.298 3.830 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(N2CCOC2=O)cc1 ZINC000858110471 882856829 /nfs/dbraw/zinc/85/68/29/882856829.db2.gz STWRASFYVXEKKX-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000858160037 882896754 /nfs/dbraw/zinc/89/67/54/882896754.db2.gz ANUQXZKJOQCOIF-YJBOKZPZSA-N 0 1 380.257 3.550 20 10 GHCDMN COc1cc(O)c(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000776007602 875118234 /nfs/dbraw/zinc/11/82/34/875118234.db2.gz ONONZIAHPWGPEW-OIISXLGYSA-N 0 1 391.508 3.884 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528860549 875163782 /nfs/dbraw/zinc/16/37/82/875163782.db2.gz ICEINDXFFJJNPF-FGTMMUONSA-N 0 1 390.936 3.991 20 10 GHCDMN C[C@@H](O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC001202289747 876109558 /nfs/dbraw/zinc/10/95/58/876109558.db2.gz VIXPGUQPTORWGY-AUUYWEPGSA-N 0 1 378.310 3.874 20 10 GHCDMN O=C(C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1)N1CCCCCC1 ZINC000179752235 883024649 /nfs/dbraw/zinc/02/46/49/883024649.db2.gz UZQZUUBOQKVSFS-UHFFFAOYSA-N 0 1 395.341 3.769 20 10 GHCDMN OC1CCN(c2ccc(CNCc3conc3Cc3ccccc3)cc2)CC1 ZINC000850406380 876888421 /nfs/dbraw/zinc/88/84/21/876888421.db2.gz DZNKLCZRNZHJPG-UHFFFAOYSA-N 0 1 377.488 3.516 20 10 GHCDMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000786728584 876889716 /nfs/dbraw/zinc/88/97/16/876889716.db2.gz XXQJNFGZVSITFM-GFCCVEGCSA-N 0 1 385.869 3.569 20 10 GHCDMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000786728585 876889992 /nfs/dbraw/zinc/88/99/92/876889992.db2.gz XXQJNFGZVSITFM-LBPRGKRZSA-N 0 1 385.869 3.569 20 10 GHCDMN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1O ZINC000109771437 877427933 /nfs/dbraw/zinc/42/79/33/877427933.db2.gz QEWJWQBTYVCSAF-UHFFFAOYSA-N 0 1 375.472 3.621 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CC(O)(c2ccc(Br)cc2)C1 ZINC001183065395 912257072 /nfs/dbraw/zinc/25/70/72/912257072.db2.gz KMWBYBDRWRHNAH-UHFFFAOYSA-N 0 1 386.648 3.651 20 10 GHCDMN Cc1cc(CN[C@H](c2cnn(C)c2)C2(CO)CCC2)ccc1N1CCCCC1 ZINC000852073599 878061593 /nfs/dbraw/zinc/06/15/93/878061593.db2.gz WBBDBZVHPRHFQM-JOCHJYFZSA-N 0 1 382.552 3.712 20 10 GHCDMN O=C1/C(=C/c2ccnn2-c2ccncc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000853000247 878746089 /nfs/dbraw/zinc/74/60/89/878746089.db2.gz HMDSKLZMXUIDII-WJDWOHSUSA-N 0 1 382.514 3.657 20 10 GHCDMN COC[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCO1 ZINC000789382638 878875919 /nfs/dbraw/zinc/87/59/19/878875919.db2.gz MQHMCGQFMMCDMY-UXHICEINSA-N 0 1 382.464 3.824 20 10 GHCDMN CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000180472624 878944205 /nfs/dbraw/zinc/94/42/05/878944205.db2.gz RGYNGPOOQBTQRE-UHFFFAOYSA-N 0 1 398.931 3.941 20 10 GHCDMN O=S(=O)(CCN(Cc1ccccc1O)C1CCCC1)c1ccc(F)cc1 ZINC000790287849 879571141 /nfs/dbraw/zinc/57/11/41/879571141.db2.gz MSFSWONQNVRUJR-UHFFFAOYSA-N 0 1 377.481 3.750 20 10 GHCDMN CN(Cc1ccc(Br)cc1Cl)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000790470390 879743142 /nfs/dbraw/zinc/74/31/42/879743142.db2.gz PICHCZXLNCIUQU-INIZCTEOSA-N 0 1 398.684 3.866 20 10 GHCDMN COc1ccc(CNCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1C ZINC000790610292 879882836 /nfs/dbraw/zinc/88/28/36/879882836.db2.gz MVECCRIMTUVOFR-QHCPKHFHSA-N 0 1 393.487 3.518 20 10 GHCDMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510858 912608542 /nfs/dbraw/zinc/60/85/42/912608542.db2.gz HQQSEDHKXWPVAH-ZHRRBRCNSA-N 0 1 388.458 3.536 20 10 GHCDMN CCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000772798060 881182426 /nfs/dbraw/zinc/18/24/26/881182426.db2.gz NIFXVRZDOWJPDA-QGZVFWFLSA-N 0 1 377.282 3.593 20 10 GHCDMN COc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000127411663 881318135 /nfs/dbraw/zinc/31/81/35/881318135.db2.gz XBACHBVRZUAACA-UHFFFAOYSA-N 0 1 388.470 3.554 20 10 GHCDMN CC(=O)Nc1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000804944685 883478345 /nfs/dbraw/zinc/47/83/45/883478345.db2.gz GQKOLOXNOWOUPN-UHFFFAOYSA-N 0 1 382.247 3.657 20 10 GHCDMN COCc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000805087119 883602998 /nfs/dbraw/zinc/60/29/98/883602998.db2.gz JZFNMAUBWSXVAS-UHFFFAOYSA-N 0 1 387.238 3.984 20 10 GHCDMN C[S@](=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000806307592 884552819 /nfs/dbraw/zinc/55/28/19/884552819.db2.gz FUZPHGJVGHZSHH-DEOSSOPVSA-N 0 1 391.251 3.897 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(CC(F)(F)F)n1 ZINC000806362301 884639725 /nfs/dbraw/zinc/63/97/25/884639725.db2.gz MPIROFCQVURMPZ-UHFFFAOYSA-N 0 1 383.157 3.780 20 10 GHCDMN COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000806402628 884684640 /nfs/dbraw/zinc/68/46/40/884684640.db2.gz HTXBXDIMGZGJCT-UHFFFAOYSA-N 0 1 386.191 3.938 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(N2CCC2=O)cc1 ZINC000806509953 884756628 /nfs/dbraw/zinc/75/66/28/884756628.db2.gz VTLJPGLBSMXTDQ-UHFFFAOYSA-N 0 1 380.231 3.757 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000762001673 885165793 /nfs/dbraw/zinc/16/57/93/885165793.db2.gz WIDPQIOYYWZDLN-UHFFFAOYSA-N 0 1 386.267 3.743 20 10 GHCDMN CCN(CC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000807840168 885770747 /nfs/dbraw/zinc/77/07/47/885770747.db2.gz ZTHKKUCHQJLAHS-UHFFFAOYSA-N 0 1 377.268 3.572 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cn2ccnc2)cc1 ZINC000807837686 885800486 /nfs/dbraw/zinc/80/04/86/885800486.db2.gz AEPVNNPFNDFGDM-UHFFFAOYSA-N 0 1 376.243 3.874 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000807837216 885802770 /nfs/dbraw/zinc/80/27/70/885802770.db2.gz HLQBQMUURQCBPO-UHFFFAOYSA-N 0 1 397.649 3.863 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000807838355 885803908 /nfs/dbraw/zinc/80/39/08/885803908.db2.gz POQKRXUFWSIXKB-UHFFFAOYSA-N 0 1 397.233 3.873 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(OCC(F)(F)F)nc1 ZINC000807838457 885804116 /nfs/dbraw/zinc/80/41/16/885804116.db2.gz RYXGOCIZHUTJKT-UHFFFAOYSA-N 0 1 395.164 3.965 20 10 GHCDMN Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000862960465 886785222 /nfs/dbraw/zinc/78/52/22/886785222.db2.gz LPNLKFMFKPASAM-UHFFFAOYSA-N 0 1 399.510 3.560 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(CC3CCOCC3)no2)C1 ZINC000809393969 887394031 /nfs/dbraw/zinc/39/40/31/887394031.db2.gz JWHXCGXUCYSUEZ-UHFFFAOYSA-N 0 1 394.519 3.808 20 10 GHCDMN c1ccc(CN2CCc3cc(CN4CCO[C@]5(CCCOC5)C4)ccc32)cc1 ZINC000809686593 887704663 /nfs/dbraw/zinc/70/46/63/887704663.db2.gz DYUUYCVOPFZYAQ-XMMPIXPASA-N 0 1 378.516 3.631 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000810059691 888107815 /nfs/dbraw/zinc/10/78/15/888107815.db2.gz XYUDPMRDEOPHOS-OALUTQOASA-N 0 1 376.859 3.922 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220317 888297893 /nfs/dbraw/zinc/29/78/93/888297893.db2.gz UZYNBXVNPPPFSF-MRXNPFEDSA-N 0 1 382.382 3.516 20 10 GHCDMN Fc1cccc2cc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)cnc12 ZINC000865598433 888467963 /nfs/dbraw/zinc/46/79/63/888467963.db2.gz UZAJPKDBSILTFW-UHFFFAOYSA-N 0 1 387.405 3.779 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC)c1OC ZINC000865759011 888556600 /nfs/dbraw/zinc/55/66/00/888556600.db2.gz QYFMDCNMDZXYFD-LJQANCHMSA-N 0 1 388.483 3.920 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)c3ccccc3)CC2)cc1 ZINC000032763950 888825679 /nfs/dbraw/zinc/82/56/79/888825679.db2.gz LHAIVARAXVBJCI-HXUWFJFHSA-N 0 1 395.547 3.517 20 10 GHCDMN COc1cc2c(cc1F)nccc2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000795070598 889851903 /nfs/dbraw/zinc/85/19/03/889851903.db2.gz JUCXWJYHSCQUHB-UHFFFAOYSA-N 0 1 385.414 3.970 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc2F)CC1 ZINC000795084939 889981321 /nfs/dbraw/zinc/98/13/21/889981321.db2.gz JMRURKUTGRDRHP-UHFFFAOYSA-N 0 1 389.437 3.562 20 10 GHCDMN CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917073958 890964448 /nfs/dbraw/zinc/96/44/48/890964448.db2.gz JZNXRJZRZJBEOE-UHFFFAOYSA-N 0 1 383.511 3.905 20 10 GHCDMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000917087843 891064931 /nfs/dbraw/zinc/06/49/31/891064931.db2.gz KHIQNKGQDRDVLO-HSZRJFAPSA-N 0 1 395.547 3.817 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000917090056 891082624 /nfs/dbraw/zinc/08/26/24/891082624.db2.gz XXOLXUCGYGHXEP-LJQANCHMSA-N 0 1 393.531 3.575 20 10 GHCDMN Cc1cccc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000872689316 891304083 /nfs/dbraw/zinc/30/40/83/891304083.db2.gz YZVRJNBAEYGQQU-UHFFFAOYSA-N 0 1 375.472 3.643 20 10 GHCDMN CC[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275369978 913588282 /nfs/dbraw/zinc/58/82/82/913588282.db2.gz HPCARKTYWPXEJG-YJBOKZPZSA-N 0 1 377.960 3.923 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)cc1 ZINC000874045613 891967034 /nfs/dbraw/zinc/96/70/34/891967034.db2.gz YTTAOEOIDUHCCS-QHCPKHFHSA-N 0 1 382.504 3.636 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)o1 ZINC000126436395 893541348 /nfs/dbraw/zinc/54/13/48/893541348.db2.gz JTUANJMTYLAEAB-OAQYLSRUSA-N 0 1 394.519 3.601 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000748049530 894566207 /nfs/dbraw/zinc/56/62/07/894566207.db2.gz GGRWBLIMCFOEID-HXUWFJFHSA-N 0 1 382.476 3.763 20 10 GHCDMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816488932 894857167 /nfs/dbraw/zinc/85/71/67/894857167.db2.gz IGDCXRCFHPAKAE-CYBMUJFWSA-N 0 1 377.847 3.739 20 10 GHCDMN COc1ccc([C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])N2CCOCC2)cc1 ZINC000816529042 894927903 /nfs/dbraw/zinc/92/79/03/894927903.db2.gz DQDCPTWYDNRQCS-QHCPKHFHSA-N 0 1 392.499 3.717 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000817374797 895550680 /nfs/dbraw/zinc/55/06/80/895550680.db2.gz LWZCPPMHXPQLNA-UHFFFAOYSA-N 0 1 383.492 3.916 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915217 914031885 /nfs/dbraw/zinc/03/18/85/914031885.db2.gz ZILZDTCOFVDARH-AEFFLSMTSA-N 0 1 390.411 3.536 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048661 896360470 /nfs/dbraw/zinc/36/04/70/896360470.db2.gz DYZSXOITQFAMQV-FOIQADDNSA-N 0 1 386.492 3.659 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048661 896360485 /nfs/dbraw/zinc/36/04/85/896360485.db2.gz DYZSXOITQFAMQV-FOIQADDNSA-N 0 1 386.492 3.659 20 10 GHCDMN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000819724015 896935453 /nfs/dbraw/zinc/93/54/53/896935453.db2.gz IKLRXNKVPUHEGW-OAHLLOKOSA-N 0 1 389.463 3.916 20 10 GHCDMN Cc1ccc(-c2cc(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)[nH]n2)o1 ZINC000820006331 897081625 /nfs/dbraw/zinc/08/16/25/897081625.db2.gz SUQAVACPTUSCIR-UHFFFAOYSA-N 0 1 384.399 3.940 20 10 GHCDMN COc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1Cn1cccn1 ZINC000883012602 897203683 /nfs/dbraw/zinc/20/36/83/897203683.db2.gz LOCUXWWDXKZOFP-MRXNPFEDSA-N 0 1 375.476 3.678 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1cc(Br)ccc1[O-] ZINC000883286019 897446218 /nfs/dbraw/zinc/44/62/18/897446218.db2.gz GXIUBOPGRZDZRT-LBPRGKRZSA-N 0 1 390.281 3.535 20 10 GHCDMN CCCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824561029 899688680 /nfs/dbraw/zinc/68/86/80/899688680.db2.gz OUFDBJMWBRTCPI-UHFFFAOYSA-N 0 1 383.330 3.673 20 10 GHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C ZINC000824815705 899823439 /nfs/dbraw/zinc/82/34/39/899823439.db2.gz XDAJBUWHJYRDNZ-NOZJJQNGSA-N 0 1 393.119 3.774 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000289863616 914388204 /nfs/dbraw/zinc/38/82/04/914388204.db2.gz RRSDETURFOQVRD-HXUWFJFHSA-N 0 1 392.902 3.918 20 10 GHCDMN Oc1cc(Br)ccc1CNc1ccc(CCN2CCOCC2)cc1 ZINC000824968758 899918270 /nfs/dbraw/zinc/91/82/70/899918270.db2.gz HGPXBXCUMRJQKD-UHFFFAOYSA-N 0 1 391.309 3.642 20 10 GHCDMN CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825113476 899986117 /nfs/dbraw/zinc/98/61/17/899986117.db2.gz DSORQVNKFCOCAY-UHFFFAOYSA-N 0 1 391.309 3.974 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447527 900170516 /nfs/dbraw/zinc/17/05/16/900170516.db2.gz VWFWKXCMKFEHCD-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447527 900170523 /nfs/dbraw/zinc/17/05/23/900170523.db2.gz VWFWKXCMKFEHCD-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN CCOc1c(F)cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC001144025587 900948606 /nfs/dbraw/zinc/94/86/06/900948606.db2.gz KIJLLSSRRYVFNH-UHFFFAOYSA-N 0 1 376.447 3.832 20 10 GHCDMN CCOc1c(F)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC001144025587 900948611 /nfs/dbraw/zinc/94/86/11/900948611.db2.gz KIJLLSSRRYVFNH-UHFFFAOYSA-N 0 1 376.447 3.832 20 10 GHCDMN COC(=O)c1cccc2c1CN(Cc1cc(Br)c(F)cc1O)CC2 ZINC001144307568 901696765 /nfs/dbraw/zinc/69/67/65/901696765.db2.gz AHJXYENTVMYAIM-UHFFFAOYSA-N 0 1 394.240 3.639 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001144307725 901698283 /nfs/dbraw/zinc/69/82/83/901698283.db2.gz GOZXIJSIDAMYTE-CQSZACIVSA-N 0 1 381.245 3.732 20 10 GHCDMN COc1cccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])c1OC ZINC001144307798 901699387 /nfs/dbraw/zinc/69/93/87/901699387.db2.gz HWMSRJIUNCWDPO-UHFFFAOYSA-N 0 1 384.245 3.943 20 10 GHCDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000772949422 903140173 /nfs/dbraw/zinc/14/01/73/903140173.db2.gz AZWUFQFAQGOGNF-CQSZACIVSA-N 0 1 375.856 3.936 20 10 GHCDMN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000773138346 904472007 /nfs/dbraw/zinc/47/20/07/904472007.db2.gz UMKMKVYRISDMFN-MSOLQXFVSA-N 0 1 380.536 3.560 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3csc(C)c3C)cc2F)CC1 ZINC000773303984 904695450 /nfs/dbraw/zinc/69/54/50/904695450.db2.gz OUNIWWCJYWHUJX-UHFFFAOYSA-N 0 1 375.513 3.576 20 10 GHCDMN CCCCN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1O ZINC000801596329 921173234 /nfs/dbraw/zinc/17/32/34/921173234.db2.gz VITNKPDBQRDMCO-UHFFFAOYSA-N 0 1 395.503 3.758 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000773413139 907267134 /nfs/dbraw/zinc/26/71/34/907267134.db2.gz GQANUWJIFSGOOK-FQEVSTJZSA-N 0 1 399.510 3.560 20 10 GHCDMN Oc1ccccc1CN(Cc1cn(Cc2cccnc2)nn1)C1CCCCC1 ZINC000182935057 907295654 /nfs/dbraw/zinc/29/56/54/907295654.db2.gz ORVIIKWMWJHCTE-UHFFFAOYSA-N 0 1 377.492 3.762 20 10 GHCDMN COc1ccc(N2CCN(CCc3nsc4ccccc43)CC2)c(OC)c1 ZINC001175522659 907601452 /nfs/dbraw/zinc/60/14/52/907601452.db2.gz KNOCVJRTOCAWMF-UHFFFAOYSA-N 0 1 383.517 3.678 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1[O-] ZINC000184979906 907690443 /nfs/dbraw/zinc/69/04/43/907690443.db2.gz OHVHVDYLBBVEIS-GFCCVEGCSA-N 0 1 393.281 3.703 20 10 GHCDMN CN(C)c1cc(F)c(CNCc2ccc(NC(=O)c3cccnc3)cc2)cc1F ZINC001177617091 908671350 /nfs/dbraw/zinc/67/13/50/908671350.db2.gz FEMWFOYQBNENQI-UHFFFAOYSA-N 0 1 396.441 3.968 20 10 GHCDMN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)c(F)c1[O-] ZINC001180088471 909911267 /nfs/dbraw/zinc/91/12/67/909911267.db2.gz YQSUTNPKHAAJHS-UHFFFAOYSA-N 0 1 385.208 3.503 20 10 GHCDMN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)c(F)c1[O-] ZINC001180088471 909911268 /nfs/dbraw/zinc/91/12/68/909911268.db2.gz YQSUTNPKHAAJHS-UHFFFAOYSA-N 0 1 385.208 3.503 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000795347293 910014232 /nfs/dbraw/zinc/01/42/32/910014232.db2.gz HKAOQHQEQIKJIJ-UHFFFAOYSA-N 0 1 383.425 3.647 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCC[C@H](O)C2)C1 ZINC000795547926 911056017 /nfs/dbraw/zinc/05/60/17/911056017.db2.gz WSTCOKGXTWEYIC-MSOLQXFVSA-N 0 1 384.520 3.502 20 10 GHCDMN COc1cc2nc(NCc3cccc(Br)c3O)[nH]c2cc1OC ZINC000775193539 916160311 /nfs/dbraw/zinc/16/03/11/916160311.db2.gz QVPUPJLNWIQOKU-UHFFFAOYSA-N 0 1 378.226 3.660 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488036 918243619 /nfs/dbraw/zinc/24/36/19/918243619.db2.gz GDTAMLHAUHYFOR-RHSMWYFYSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000775508157 918473510 /nfs/dbraw/zinc/47/35/10/918473510.db2.gz AEIBUESRYJAWHZ-KRWDZBQOSA-N 0 1 376.294 3.725 20 10 GHCDMN C[C@H](NCc1cccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296618373 918477463 /nfs/dbraw/zinc/47/74/63/918477463.db2.gz WRHQMCZEGLVQQU-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000016099454 919403352 /nfs/dbraw/zinc/40/33/52/919403352.db2.gz XNVPRSHFWFFFGD-UHFFFAOYSA-N 0 1 379.743 3.888 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1[O-] ZINC000800492893 920179656 /nfs/dbraw/zinc/17/96/56/920179656.db2.gz GTWXXVBUFKLSCD-FQEVSTJZSA-N 0 1 377.843 3.879 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000800992155 920674490 /nfs/dbraw/zinc/67/44/90/920674490.db2.gz GJTIDCOQLCIWTP-IEBWSBKVSA-N 0 1 390.483 3.876 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000802655014 922314210 /nfs/dbraw/zinc/31/42/10/922314210.db2.gz RCOJTMYRWGQEEC-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000802655014 922314214 /nfs/dbraw/zinc/31/42/14/922314214.db2.gz RCOJTMYRWGQEEC-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)ccc1O ZINC000903341591 922942991 /nfs/dbraw/zinc/94/29/91/922942991.db2.gz PGGUEYXHKKQYLN-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000370679767 924252903 /nfs/dbraw/zinc/25/29/03/924252903.db2.gz XUNVBHMOFJIFTR-MGPUTAFESA-N 0 1 386.467 3.845 20 10 GHCDMN Cc1cc(C)c(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)[nH]1 ZINC001137333819 924726291 /nfs/dbraw/zinc/72/62/91/924726291.db2.gz UWINHQLNINCSQG-UHFFFAOYSA-N 0 1 376.504 3.928 20 10 GHCDMN CCOc1ccccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137438601 925789475 /nfs/dbraw/zinc/78/94/75/925789475.db2.gz OTBXEHFTPHNGPT-QGZVFWFLSA-N 0 1 388.895 3.839 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)s1 ZINC000827950646 926374394 /nfs/dbraw/zinc/37/43/94/926374394.db2.gz SYDUHMQFCKMTOE-SNVBAGLBSA-N 0 1 384.860 3.807 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)s1 ZINC000827950269 926375464 /nfs/dbraw/zinc/37/54/64/926375464.db2.gz RGNCIXORXDPLGP-LBPRGKRZSA-N 0 1 380.897 3.977 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)s1 ZINC000827950269 926375472 /nfs/dbraw/zinc/37/54/72/926375472.db2.gz RGNCIXORXDPLGP-LBPRGKRZSA-N 0 1 380.897 3.977 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000750837294 927884779 /nfs/dbraw/zinc/88/47/79/927884779.db2.gz JKIKPWWOWFZDOV-UHFFFAOYSA-N 0 1 382.476 3.717 20 10 GHCDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(Br)cc(OC)c2O)n[nH]1 ZINC000752930033 929096413 /nfs/dbraw/zinc/09/64/13/929096413.db2.gz VKOBCCHLDDXUNX-UWVGGRQHSA-N 0 1 383.290 3.646 20 10 GHCDMN COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000753857666 929563767 /nfs/dbraw/zinc/56/37/67/929563767.db2.gz OCDSVSZTQQWVHC-UHFFFAOYSA-N 0 1 391.439 3.652 20 10 GHCDMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000753857666 929563772 /nfs/dbraw/zinc/56/37/72/929563772.db2.gz OCDSVSZTQQWVHC-UHFFFAOYSA-N 0 1 391.439 3.652 20 10 GHCDMN C[C@@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1cc(F)cc(F)c1[O-] ZINC000757654083 929760357 /nfs/dbraw/zinc/76/03/57/929760357.db2.gz ADHNKDFVUJFZPX-CYBMUJFWSA-N 0 1 376.447 3.973 20 10 GHCDMN C[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc(F)cc(F)c1[O-] ZINC000757654083 929760359 /nfs/dbraw/zinc/76/03/59/929760359.db2.gz ADHNKDFVUJFZPX-CYBMUJFWSA-N 0 1 376.447 3.973 20 10 GHCDMN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000757662177 929762897 /nfs/dbraw/zinc/76/28/97/929762897.db2.gz SUXGROJAHXYQHY-INIZCTEOSA-N 0 1 381.495 3.953 20 10 GHCDMN Cc1cc(Br)ncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000758468433 930054811 /nfs/dbraw/zinc/05/48/11/930054811.db2.gz ATTNRYYKIHUOEX-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c1 ZINC000759144146 930287877 /nfs/dbraw/zinc/28/78/77/930287877.db2.gz MULVLNPXBGWZMB-IBGZPJMESA-N 0 1 388.552 3.685 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000781911556 931024778 /nfs/dbraw/zinc/02/47/78/931024778.db2.gz LWTJKHSFCBJMPP-CQSZACIVSA-N 0 1 397.357 3.837 20 10 GHCDMN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1Br ZINC000777512195 931298700 /nfs/dbraw/zinc/29/87/00/931298700.db2.gz NAOUSKPYMUOFHJ-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN CO[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000783011644 931384575 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3.929 20 10 GHCDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000754725729 1022860928 /nfs/dbraw/zinc/86/09/28/1022860928.db2.gz AVVCIHRHYRMYFY-UHFFFAOYSA-N 0 1 392.421 3.986 20 10 GHCDMN CN(C)c1ccc(CN2CCC(NC(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC001140925853 1022901943 /nfs/dbraw/zinc/90/19/43/1022901943.db2.gz FOLIIWGBSFLCHX-UHFFFAOYSA-N 0 1 389.902 3.940 20 10 GHCDMN COc1cc(OC2CCN(Cc3ccc(N(C)C)cc3Cl)CC2)ccn1 ZINC001140925468 1022902071 /nfs/dbraw/zinc/90/20/71/1022902071.db2.gz BQKRWSKOXRNDND-UHFFFAOYSA-N 0 1 375.900 3.853 20 10 GHCDMN Oc1ccc([C@@H]2CN(Cc3cnco3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001140934304 1022916422 /nfs/dbraw/zinc/91/64/22/1022916422.db2.gz ZTPZTEOGVXDBHQ-KRWDZBQOSA-N 0 1 386.835 3.635 20 10 GHCDMN Cc1cc(O)c(CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1C(C)C ZINC000755772915 1023370332 /nfs/dbraw/zinc/37/03/32/1023370332.db2.gz NSMKFKLSXHECMP-UHFFFAOYSA-N 0 1 399.510 3.719 20 10 GHCDMN Clc1ccnc(N2CCN(Cc3cc4c5c(c3)CCCN5CCC4)CC2)c1 ZINC001141076640 1023440348 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COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756538651 1023704732 /nfs/dbraw/zinc/70/47/32/1023704732.db2.gz DOLFDOOGERIZHX-FZMZJTMJSA-N 0 1 378.266 3.818 20 10 GHCDMN COc1ccc2nc(NCc3ccc(N4CCN(C)CC4)cc3)c(Cl)nc2c1 ZINC001156655510 1033159682 /nfs/dbraw/zinc/15/96/82/1033159682.db2.gz GBUQPTGDZVLHBA-UHFFFAOYSA-N 0 1 397.910 3.656 20 10 GHCDMN Cc1nc(C)c(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nn2)s1 ZINC001156658883 1033161184 /nfs/dbraw/zinc/16/11/84/1033161184.db2.gz HICVNOQGPCULKT-UHFFFAOYSA-N 0 1 394.548 3.581 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(Br)cc1[O-] ZINC000756704567 1023782282 /nfs/dbraw/zinc/78/22/82/1023782282.db2.gz OYYRDCLSKUKINZ-CYBMUJFWSA-N 0 1 383.330 3.892 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000756763074 1023805684 /nfs/dbraw/zinc/80/56/84/1023805684.db2.gz SZRRSRMKJHYXAJ-WBMJQRKESA-N 0 1 381.314 3.739 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2cc(O)ccc2O)[C@@H](Cc2ccccc2)C1 ZINC001141159657 1023985204 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CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706868881 857930525 /nfs/dbraw/zinc/93/05/25/857930525.db2.gz UJBSWCPQXSIGDU-CQSZACIVSA-N 0 1 385.302 3.548 20 10 GHCDMN CCCN(CCc1cccc(F)c1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000733614299 863064970 /nfs/dbraw/zinc/06/49/70/863064970.db2.gz KWNHAMJZBYJREE-UHFFFAOYSA-N 0 1 385.527 3.805 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2F)CC1 ZINC000730194679 859277204 /nfs/dbraw/zinc/27/72/04/859277204.db2.gz VNPHRQFNRZFTIQ-UHFFFAOYSA-N 0 1 375.875 3.551 20 10 GHCDMN COc1cc(CNCc2cnc(Br)cn2)c(O)c(C(C)(C)C)c1 ZINC000895407488 859411554 /nfs/dbraw/zinc/41/15/54/859411554.db2.gz SSULTARAUUCWOO-UHFFFAOYSA-N 0 1 380.286 3.541 20 10 GHCDMN CC(C)n1cccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000764853408 859645611 /nfs/dbraw/zinc/64/56/11/859645611.db2.gz BPWCAOAOCGIEHP-QGZVFWFLSA-N 0 1 375.900 3.822 20 10 GHCDMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc2O1 ZINC000730073918 860861337 /nfs/dbraw/zinc/86/13/37/860861337.db2.gz RKGXQIAIRLTGCY-SNVBAGLBSA-N 0 1 378.500 3.996 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C)c(C)c3)cc2F)CC1 ZINC000730134264 860873588 /nfs/dbraw/zinc/87/35/88/860873588.db2.gz VUJHNSWQCLZXHX-UHFFFAOYSA-N 0 1 384.499 3.906 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CCC(C)C)cc2F)CC1 ZINC000730112260 860877881 /nfs/dbraw/zinc/87/78/81/860877881.db2.gz WSKKPQKYBAORSU-QGZVFWFLSA-N 0 1 378.536 3.592 20 10 GHCDMN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000011193316 881667309 /nfs/dbraw/zinc/66/73/09/881667309.db2.gz PBGDGLTUQPNWKX-IBGZPJMESA-N 0 1 381.520 3.599 20 10 GHCDMN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000792798655 881678638 /nfs/dbraw/zinc/67/86/38/881678638.db2.gz LFYHPBXAMZMSCB-SFHVURJKSA-N 0 1 386.458 3.931 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000192815108 864104557 /nfs/dbraw/zinc/10/45/57/864104557.db2.gz JYEYQIGCFQNPNR-GOEBONIOSA-N 0 1 391.313 3.654 20 10 GHCDMN C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc(F)ccc1O ZINC000184966264 865082373 /nfs/dbraw/zinc/08/23/73/865082373.db2.gz OJAMUWQHVJWFQH-HNNXBMFYSA-N 0 1 392.496 3.557 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CC[C@H](CN(C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227997 865505946 /nfs/dbraw/zinc/50/59/46/865505946.db2.gz RPKCAGLLDLVGAD-QGZVFWFLSA-N 0 1 392.499 3.858 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CC[C@H](CN(C)C)C2)c(=O)c1-c1ccccc1 ZINC000738227997 865505957 /nfs/dbraw/zinc/50/59/57/865505957.db2.gz RPKCAGLLDLVGAD-QGZVFWFLSA-N 0 1 392.499 3.858 20 10 GHCDMN CC(C)N(CC(F)(F)F)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000738299686 865524141 /nfs/dbraw/zinc/52/41/41/865524141.db2.gz QEUWBKXQFMRJJD-UHFFFAOYSA-N 0 1 385.474 3.908 20 10 GHCDMN Cn1ccnc1C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000742387644 867253493 /nfs/dbraw/zinc/25/34/93/867253493.db2.gz IRTSMXMHFXSKFT-KRWDZBQOSA-N 0 1 386.293 3.962 20 10 GHCDMN CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cc(Br)ccc1O ZINC000743872261 868469470 /nfs/dbraw/zinc/46/94/70/868469470.db2.gz SVGLEYBIBLNZEM-BBRMVZONSA-N 0 1 383.330 3.672 20 10 GHCDMN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H](c1ccco1)N1CCCCC1 ZINC000745283728 869419474 /nfs/dbraw/zinc/41/94/74/869419474.db2.gz BGYVRXKENVTEGN-HXUWFJFHSA-N 0 1 397.519 3.890 20 10 GHCDMN COCCN1CCCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000920745317 882325282 /nfs/dbraw/zinc/32/52/82/882325282.db2.gz VBBZGOLTJYNSOL-UHFFFAOYSA-N 0 1 389.927 3.542 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000775523662 870312998 /nfs/dbraw/zinc/31/29/98/870312998.db2.gz MEYXRKUIMDNTSS-VDZJLULYSA-N 0 1 394.309 3.680 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cc(Br)ccc2[O-])[C@@]12CCCO2 ZINC000775555148 870752766 /nfs/dbraw/zinc/75/27/66/870752766.db2.gz KAHQAEGQIZJQFS-SPUZQDLCSA-N 0 1 384.314 3.922 20 10 GHCDMN CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775555421 870800585 /nfs/dbraw/zinc/80/05/85/870800585.db2.gz MQVDJLOYWUOCJM-KRWDZBQOSA-N 0 1 379.863 3.657 20 10 GHCDMN Cc1ccncc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000766821482 871844310 /nfs/dbraw/zinc/84/43/10/871844310.db2.gz NFKBORISJCHNOA-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2CC2CC2)C1 ZINC000766822485 871846850 /nfs/dbraw/zinc/84/68/50/871846850.db2.gz UHIGYGHWJHJQQE-UHFFFAOYSA-N 0 1 391.519 3.653 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000775645314 872256174 /nfs/dbraw/zinc/25/61/74/872256174.db2.gz JLPULFKPMJPEKU-ZDUSSCGKSA-N 0 1 378.879 3.882 20 10 GHCDMN CN(C)c1ccc([C@@H](CN[C@@H]2CCCc3c[nH]nc32)NC(=O)OC(C)(C)C)cc1 ZINC000857863067 882596820 /nfs/dbraw/zinc/59/68/20/882596820.db2.gz PQPRFEDRHDROEV-RTBURBONSA-N 0 1 399.539 3.709 20 10 GHCDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc3[nH]cnc32)cc1 ZINC000746485788 872617659 /nfs/dbraw/zinc/61/76/59/872617659.db2.gz DRXIOFLHTLDSPN-UHFFFAOYSA-N 0 1 376.382 3.834 20 10 GHCDMN Fc1cc(CN[C@H]2CCc3ccc(Cl)nc32)cc(F)c1N1CCOCC1 ZINC000857913169 882634583 /nfs/dbraw/zinc/63/45/83/882634583.db2.gz IRZUNGKCEMRQNF-INIZCTEOSA-N 0 1 379.838 3.627 20 10 GHCDMN COc1cc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1O ZINC000768240821 873165606 /nfs/dbraw/zinc/16/56/06/873165606.db2.gz YJHBSQLXUHJEIM-UHFFFAOYSA-N 0 1 385.464 3.931 20 10 GHCDMN C[C@@](O)(C1CCN(Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000768532601 873365270 /nfs/dbraw/zinc/36/52/70/873365270.db2.gz MTFHMZBTWVIBFW-CQSZACIVSA-N 0 1 382.220 3.680 20 10 GHCDMN Oc1c(Br)cccc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885667 873647479 /nfs/dbraw/zinc/64/74/79/873647479.db2.gz HVWSVPAJZAJOKA-UHFFFAOYSA-N 0 1 384.277 3.899 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2ncccc2c1 ZINC000768915588 873682860 /nfs/dbraw/zinc/68/28/60/873682860.db2.gz LVTLZJXSXWWLHU-LJQANCHMSA-N 0 1 395.890 3.988 20 10 GHCDMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1cccnc1 ZINC001197417227 873800519 /nfs/dbraw/zinc/80/05/19/873800519.db2.gz SNQIWEWAAVAONJ-UHFFFAOYSA-N 0 1 386.860 3.908 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CN2CCN(c3cccnn3)CC2)cc1 ZINC000769234510 873910512 /nfs/dbraw/zinc/91/05/12/873910512.db2.gz ZJMVIXOKHIMPQD-UHFFFAOYSA-N 0 1 387.531 3.825 20 10 GHCDMN COc1ccc(OC)c(CN(CCO)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000769402760 874021762 /nfs/dbraw/zinc/02/17/62/874021762.db2.gz CEQUMQJEWHFREM-UHFFFAOYSA-N 0 1 384.520 3.689 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1c([O-])cccc1Cl)CC2 ZINC000769538977 874142526 /nfs/dbraw/zinc/14/25/26/874142526.db2.gz ZYRXXXUEDFVBEA-UHFFFAOYSA-N 0 1 377.868 3.672 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC000769538977 874142528 /nfs/dbraw/zinc/14/25/28/874142528.db2.gz ZYRXXXUEDFVBEA-UHFFFAOYSA-N 0 1 377.868 3.672 20 10 GHCDMN Cn1c2ccccc2nc1C(C)(C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000769922458 874344003 /nfs/dbraw/zinc/34/40/03/874344003.db2.gz DRGKYBKWGNKRRD-UHFFFAOYSA-N 0 1 382.483 3.574 20 10 GHCDMN O=C(c1ccccc1)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858089571 882835216 /nfs/dbraw/zinc/83/52/16/882835216.db2.gz XOOXBKSTEYAAMN-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000858109002 882854573 /nfs/dbraw/zinc/85/45/73/882854573.db2.gz NWSSXMLGRMYGHT-OAHLLOKOSA-N 0 1 375.463 3.718 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc4ccccc4[nH]c3=O)cc2F)C[C@@H](C)O1 ZINC001199413430 874976192 /nfs/dbraw/zinc/97/61/92/874976192.db2.gz OFIOWHKQZUOEHA-HZPDHXFCSA-N 0 1 395.478 3.983 20 10 GHCDMN CN1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)[C@H]1c1ccc(F)cc1 ZINC001201464892 875701903 /nfs/dbraw/zinc/70/19/03/875701903.db2.gz DMTMMGGGKMUTTC-SJLPKXTDSA-N 0 1 379.273 3.829 20 10 GHCDMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000786723790 876887201 /nfs/dbraw/zinc/88/72/01/876887201.db2.gz JGPAIONZFYBBDX-GFCCVEGCSA-N 0 1 385.869 3.569 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3ncc(Br)s3)C2)cc1 ZINC000850488891 876966229 /nfs/dbraw/zinc/96/62/29/876966229.db2.gz PAZDAVLHUYUYPW-NEPJUHHUSA-N 0 1 382.327 3.844 20 10 GHCDMN COC(=O)c1nc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])ccc1Cl ZINC000850515188 876986309 /nfs/dbraw/zinc/98/63/09/876986309.db2.gz JGWBFDMIBFVIBR-SECBINFHSA-N 0 1 399.672 3.841 20 10 GHCDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746654309 877209920 /nfs/dbraw/zinc/20/99/20/877209920.db2.gz YUPPUTMZWAFQGX-HSZRJFAPSA-N 0 1 395.547 3.729 20 10 GHCDMN COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332084 877319642 /nfs/dbraw/zinc/31/96/42/877319642.db2.gz LGRJGUCXMDOWQA-INIZCTEOSA-N 0 1 380.828 3.782 20 10 GHCDMN COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332084 877319658 /nfs/dbraw/zinc/31/96/58/877319658.db2.gz LGRJGUCXMDOWQA-INIZCTEOSA-N 0 1 380.828 3.782 20 10 GHCDMN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173211413 877813046 /nfs/dbraw/zinc/81/30/46/877813046.db2.gz UGNWXTBUQADTTO-VQERKYHCSA-N 0 1 389.459 3.513 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CCc4c(cccc4C(=O)[O-])C3)cc2)CC1 ZINC000851706736 877871443 /nfs/dbraw/zinc/87/14/43/877871443.db2.gz HHIQZVVPOQKIRT-UHFFFAOYSA-N 0 1 380.488 3.558 20 10 GHCDMN CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000179717173 877904225 /nfs/dbraw/zinc/90/42/25/877904225.db2.gz NTIQZUIGQOKQNC-GOSISDBHSA-N 0 1 391.462 3.711 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3c2CCO3)C1 ZINC000477744012 878121350 /nfs/dbraw/zinc/12/13/50/878121350.db2.gz HYNRBYFBLARSPM-UHFFFAOYSA-N 0 1 389.499 3.981 20 10 GHCDMN Cc1cccc(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1O ZINC000179891908 878142883 /nfs/dbraw/zinc/14/28/83/878142883.db2.gz RNDHNWGRZVDICC-HNNXBMFYSA-N 0 1 384.505 3.691 20 10 GHCDMN O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852314460 878231204 /nfs/dbraw/zinc/23/12/04/878231204.db2.gz IIODAILCFCVTLQ-KRWDZBQOSA-N 0 1 389.463 3.654 20 10 GHCDMN COCc1csc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000852570523 878429138 /nfs/dbraw/zinc/42/91/38/878429138.db2.gz SCPOUTSIXAPZSP-UHFFFAOYSA-N 0 1 375.277 3.906 20 10 GHCDMN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776748014 879886223 /nfs/dbraw/zinc/88/62/23/879886223.db2.gz RIXIBBKMDCGFHI-UHFFFAOYSA-N 0 1 378.837 3.712 20 10 GHCDMN CCN(CC)Cc1nc(C2(NCc3c(O)ccc(Cl)c3F)CCCC2)no1 ZINC000790964815 880108359 /nfs/dbraw/zinc/10/83/59/880108359.db2.gz MQRISKSVCKNJLB-UHFFFAOYSA-N 0 1 396.894 3.969 20 10 GHCDMN CCN(CC)c1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000791002726 880127561 /nfs/dbraw/zinc/12/75/61/880127561.db2.gz QGAJKKBOUDQMJV-HXUWFJFHSA-N 0 1 387.474 3.702 20 10 GHCDMN O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000776768767 880200290 /nfs/dbraw/zinc/20/02/90/880200290.db2.gz MDJDYUXAXVPKHU-HXUWFJFHSA-N 0 1 381.472 3.720 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000776768767 880200308 /nfs/dbraw/zinc/20/03/08/880200308.db2.gz MDJDYUXAXVPKHU-HXUWFJFHSA-N 0 1 381.472 3.720 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1[O-] ZINC000776768767 880200322 /nfs/dbraw/zinc/20/03/22/880200322.db2.gz MDJDYUXAXVPKHU-HXUWFJFHSA-N 0 1 381.472 3.720 20 10 GHCDMN CN(Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1)C(=O)OC(C)(C)C ZINC000791210483 880280686 /nfs/dbraw/zinc/28/06/86/880280686.db2.gz KRXBQUFEZOEYBR-UHFFFAOYSA-N 0 1 390.411 3.856 20 10 GHCDMN CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2[O-])cn1 ZINC000792184347 880972064 /nfs/dbraw/zinc/97/20/64/880972064.db2.gz ACSPMUFYYHOKCJ-FQEVSTJZSA-N 0 1 385.895 3.998 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804735892 883318928 /nfs/dbraw/zinc/31/89/28/883318928.db2.gz HRIBPIFNZRAIPJ-GOSISDBHSA-N 0 1 391.309 3.854 20 10 GHCDMN Cc1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)nc2ccccc12 ZINC000805051527 883563010 /nfs/dbraw/zinc/56/30/10/883563010.db2.gz NISWXYLYEPVCGT-UHFFFAOYSA-N 0 1 391.258 3.950 20 10 GHCDMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816359 884085748 /nfs/dbraw/zinc/08/57/48/884085748.db2.gz ZWQLCWJMXVISFL-ZJSXRUAMSA-N 0 1 376.500 3.936 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CN1CC(F)(F)F ZINC001275248078 912821965 /nfs/dbraw/zinc/82/19/65/912821965.db2.gz LSYMPQKHOXHKHU-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN CCc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000192538683 884443999 /nfs/dbraw/zinc/44/39/99/884443999.db2.gz KWHIEVBBRPBCRL-SFHVURJKSA-N 0 1 381.520 3.545 20 10 GHCDMN FCCn1cc(CNCc2ccc(N3CCCCC3)c(Br)c2)cn1 ZINC000897732015 884453145 /nfs/dbraw/zinc/45/31/45/884453145.db2.gz NDHHLBGFXZNTQB-UHFFFAOYSA-N 0 1 395.320 3.895 20 10 GHCDMN Cn1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)n1 ZINC000806413190 884651893 /nfs/dbraw/zinc/65/18/93/884651893.db2.gz GMXSOIFKVFEWNZ-UHFFFAOYSA-N 0 1 383.157 3.773 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691656 912865749 /nfs/dbraw/zinc/86/57/49/912865749.db2.gz SSKNVBVJJSPZSN-HZPDHXFCSA-N 0 1 383.444 3.834 20 10 GHCDMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691656 912865765 /nfs/dbraw/zinc/86/57/65/912865765.db2.gz SSKNVBVJJSPZSN-HZPDHXFCSA-N 0 1 383.444 3.834 20 10 GHCDMN O=C(NCc1ccc(OC(F)F)cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807184939 885306152 /nfs/dbraw/zinc/30/61/52/885306152.db2.gz QVJLTSPIESNGSB-UHFFFAOYSA-N 0 1 392.189 3.695 20 10 GHCDMN Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511060 885495924 /nfs/dbraw/zinc/49/59/24/885495924.db2.gz FBOCNWMYYCGZOV-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN COCCOc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807839929 885771923 /nfs/dbraw/zinc/77/19/23/885771923.db2.gz VCASQTJVYCARGO-UHFFFAOYSA-N 0 1 384.259 3.583 20 10 GHCDMN Cc1nn(CC(F)(F)F)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837037 885802470 /nfs/dbraw/zinc/80/24/70/885802470.db2.gz YSVMBZNBAKKGKD-UHFFFAOYSA-N 0 1 382.169 3.696 20 10 GHCDMN Cc1cc(F)cc2c(O)c(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc12 ZINC000807839684 885806269 /nfs/dbraw/zinc/80/62/69/885806269.db2.gz JTFDOLRBYVSFQM-UHFFFAOYSA-N 0 1 395.217 3.918 20 10 GHCDMN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825562327 886788504 /nfs/dbraw/zinc/78/85/04/886788504.db2.gz KDAISQUHZLXKJT-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c1 ZINC000915838904 887687128 /nfs/dbraw/zinc/68/71/28/887687128.db2.gz RBAAMXQZTFJYKV-KRWDZBQOSA-N 0 1 394.515 3.546 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1[O-] ZINC000809768721 887754962 /nfs/dbraw/zinc/75/49/62/887754962.db2.gz VGAQMVRGQMWPOS-OAHLLOKOSA-N 0 1 386.839 3.968 20 10 GHCDMN Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000809749669 887785270 /nfs/dbraw/zinc/78/52/70/887785270.db2.gz IWWNCCPZKKXZDJ-MRXNPFEDSA-N 0 1 395.297 3.859 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cc(Br)ccc2Cl)ccc1O ZINC000797820295 887803567 /nfs/dbraw/zinc/80/35/67/887803567.db2.gz PNFKRLZRNCCARK-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c1[O-] ZINC000809764264 887806903 /nfs/dbraw/zinc/80/69/03/887806903.db2.gz VVAUWOSBZGIVLO-UHFFFAOYSA-N 0 1 398.850 3.989 20 10 GHCDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000809778732 887827889 /nfs/dbraw/zinc/82/78/89/887827889.db2.gz VJBADVSPAXSKQF-LJQANCHMSA-N 0 1 382.504 3.709 20 10 GHCDMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000809778731 887828106 /nfs/dbraw/zinc/82/81/06/887828106.db2.gz VJBADVSPAXSKQF-IBGZPJMESA-N 0 1 382.504 3.709 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228188 888303520 /nfs/dbraw/zinc/30/35/20/888303520.db2.gz RCDNZPKBSUTAQQ-SZMVWBNQSA-N 0 1 383.410 3.936 20 10 GHCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc2c(cc1Cl)OCCO2 ZINC000111995416 888575467 /nfs/dbraw/zinc/57/54/67/888575467.db2.gz YHCGADIINRONGI-UHFFFAOYSA-N 0 1 394.880 3.512 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000153847121 888716950 /nfs/dbraw/zinc/71/69/50/888716950.db2.gz YZRVIUCAWSZRLN-AWEZNQCLSA-N 0 1 385.302 3.548 20 10 GHCDMN CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000872119233 891164136 /nfs/dbraw/zinc/16/41/36/891164136.db2.gz OVTOXQUUYGGKTQ-UJMBOELQSA-N 0 1 391.455 3.808 20 10 GHCDMN CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1F ZINC000813792601 891981251 /nfs/dbraw/zinc/98/12/51/891981251.db2.gz SEZLBNUTSVEQOZ-MRXNPFEDSA-N 0 1 385.252 3.617 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)c(C)cc3[O-])CC2)c1C ZINC000825881966 893218658 /nfs/dbraw/zinc/21/86/58/893218658.db2.gz ASKHSKMSZUAIIP-UHFFFAOYSA-N 0 1 391.899 3.873 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000774846815 913770914 /nfs/dbraw/zinc/77/09/14/913770914.db2.gz VNBHUESQZCHOMP-UHFFFAOYSA-N 0 1 396.447 3.764 20 10 GHCDMN Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(C)n1-c1ccccn1 ZINC000918348700 893533377 /nfs/dbraw/zinc/53/33/77/893533377.db2.gz REOPSSSPWRMUKH-FQEVSTJZSA-N 0 1 380.467 3.661 20 10 GHCDMN COCCOCc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825955527 893561105 /nfs/dbraw/zinc/56/11/05/893561105.db2.gz NEHMBGHHDLLPJC-UHFFFAOYSA-N 0 1 380.282 3.608 20 10 GHCDMN Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000127216083 894414718 /nfs/dbraw/zinc/41/47/18/894414718.db2.gz AAVZGJLNQPXCQH-IBGZPJMESA-N 0 1 381.520 3.599 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049648 894560051 /nfs/dbraw/zinc/56/00/51/894560051.db2.gz NRCKZIZNSWQJIO-DZGCQCFKSA-N 0 1 380.916 3.765 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049648 894560063 /nfs/dbraw/zinc/56/00/63/894560063.db2.gz NRCKZIZNSWQJIO-DZGCQCFKSA-N 0 1 380.916 3.765 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879023594 894789276 /nfs/dbraw/zinc/78/92/76/894789276.db2.gz FZDUOSONTMDRSG-DIFFPNOSSA-N 0 1 392.297 3.592 20 10 GHCDMN CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000816520930 894878921 /nfs/dbraw/zinc/87/89/21/894878921.db2.gz BIUCPUNOQZQWMY-CQSZACIVSA-N 0 1 390.263 3.799 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000774889183 913912148 /nfs/dbraw/zinc/91/21/48/913912148.db2.gz XJVSXYYKMNZJAG-UHFFFAOYSA-N 0 1 386.448 3.738 20 10 GHCDMN COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc3ccccc3c2[O-])cc(OC)c1 ZINC000816555924 894941139 /nfs/dbraw/zinc/94/11/39/894941139.db2.gz ULOBULDTSCODQS-QGZVFWFLSA-N 0 1 381.472 3.503 20 10 GHCDMN COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)cc(OC)c1 ZINC000816557392 894941420 /nfs/dbraw/zinc/94/14/20/894941420.db2.gz OMGFJARFYITFJE-HXUWFJFHSA-N 0 1 392.499 3.927 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC000935991671 894963643 /nfs/dbraw/zinc/96/36/43/894963643.db2.gz IGCDPDBGDPBWDD-YEORSEQZSA-N 0 1 395.290 3.776 20 10 GHCDMN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816609971 894973027 /nfs/dbraw/zinc/97/30/27/894973027.db2.gz UFBKVKDYWKQLFH-MRXNPFEDSA-N 0 1 380.410 3.969 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907644 914000499 /nfs/dbraw/zinc/00/04/99/914000499.db2.gz DLGDABSTOYXUHD-CYBMUJFWSA-N 0 1 378.812 3.616 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907644 914000509 /nfs/dbraw/zinc/00/05/09/914000509.db2.gz DLGDABSTOYXUHD-CYBMUJFWSA-N 0 1 378.812 3.616 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000820133806 897181987 /nfs/dbraw/zinc/18/19/87/897181987.db2.gz QJPJIJDFCKZOCE-FQEVSTJZSA-N 0 1 395.547 3.728 20 10 GHCDMN COc1ccc(N2CC[C@H](NC(=O)c3cccc4nc(C(F)F)[nH]c43)C2)cc1 ZINC000824727632 899789781 /nfs/dbraw/zinc/78/97/81/899789781.db2.gz HJBXGRQCLXYKMR-LBPRGKRZSA-N 0 1 386.402 3.518 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1Cl ZINC000825143237 900003865 /nfs/dbraw/zinc/00/38/65/900003865.db2.gz FORQEWKKOZZPEN-GOSISDBHSA-N 0 1 388.895 3.553 20 10 GHCDMN Cc1ccc(N(C)C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000825273537 900085592 /nfs/dbraw/zinc/08/55/92/900085592.db2.gz IIXJOCNTHDLHHR-HNNXBMFYSA-N 0 1 384.480 3.719 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000825315269 900114978 /nfs/dbraw/zinc/11/49/78/900114978.db2.gz GPEQEQOLTPVIRZ-UHFFFAOYSA-N 0 1 381.217 3.962 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000216482238 900375708 /nfs/dbraw/zinc/37/57/08/900375708.db2.gz LRJFHPKNGDOHQA-MRXNPFEDSA-N 0 1 383.492 3.580 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nc2ccccc2n1C ZINC000091306689 901444362 /nfs/dbraw/zinc/44/43/62/901444362.db2.gz AIOMIBIARQSVNH-KRWDZBQOSA-N 0 1 378.520 3.633 20 10 GHCDMN Cc1cc(Br)c(O)c(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000844935594 901557940 /nfs/dbraw/zinc/55/79/40/901557940.db2.gz FKCRPWMFCGUWJQ-SFHVURJKSA-N 0 1 378.266 3.595 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001144298537 901646841 /nfs/dbraw/zinc/64/68/41/901646841.db2.gz FURCKQUHWJVEHR-ZDUSSCGKSA-N 0 1 386.183 3.573 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299668 901648834 /nfs/dbraw/zinc/64/88/34/901648834.db2.gz FRDHLTVXOPZQQF-UHFFFAOYSA-N 0 1 396.256 3.859 20 10 GHCDMN COC(C[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-])OC ZINC001144299514 901649715 /nfs/dbraw/zinc/64/97/15/901649715.db2.gz YYOJGKPVZNONCX-UHFFFAOYSA-N 0 1 398.272 3.915 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC001144306584 901685663 /nfs/dbraw/zinc/68/56/63/901685663.db2.gz HUDAFRBYXBRSTB-OAHLLOKOSA-N 0 1 396.256 3.574 20 10 GHCDMN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@@H]1C ZINC001144308718 901705057 /nfs/dbraw/zinc/70/50/57/901705057.db2.gz UTVTYOHXCMSECD-NWDGAFQWSA-N 0 1 388.277 3.705 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2F)CC1 ZINC000303307446 914608633 /nfs/dbraw/zinc/60/86/33/914608633.db2.gz OAYCEPCAXHJRKO-UHFFFAOYSA-N 0 1 375.875 3.551 20 10 GHCDMN CSCC1(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000845832544 902437327 /nfs/dbraw/zinc/43/73/27/902437327.db2.gz DPXRCXASZIOGNI-MRXNPFEDSA-N 0 1 382.957 3.660 20 10 GHCDMN CC[NH+](CC)CCNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000845990543 902569839 /nfs/dbraw/zinc/56/98/39/902569839.db2.gz PNQPUSZHLSOQAM-UHFFFAOYSA-N 0 1 375.900 3.729 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CCc4ccc(C(=O)[O-])cc4C3)cc2)CC1 ZINC000846274398 902839783 /nfs/dbraw/zinc/83/97/83/902839783.db2.gz RMJRSHNTLXBREV-UHFFFAOYSA-N 0 1 380.488 3.558 20 10 GHCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000152154152 904241130 /nfs/dbraw/zinc/24/11/30/904241130.db2.gz ORJWWGQHERGURZ-SFHVURJKSA-N 0 1 395.551 3.515 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203645531 914804586 /nfs/dbraw/zinc/80/45/86/914804586.db2.gz LMTYKFJNIRJFLP-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203645531 914804603 /nfs/dbraw/zinc/80/46/03/914804603.db2.gz LMTYKFJNIRJFLP-OAHLLOKOSA-N 0 1 399.329 3.986 20 10 GHCDMN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773042510 904393632 /nfs/dbraw/zinc/39/36/32/904393632.db2.gz BNODFNWPWKOUFI-HAWMADMCSA-N 0 1 392.952 3.765 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)c([O-])c1I ZINC001248482281 904693795 /nfs/dbraw/zinc/69/37/95/904693795.db2.gz YAXZBUGSQAGYBD-LLVKDONJSA-N 0 1 375.250 3.627 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(Br)ccc1[O-] ZINC000186525729 907938396 /nfs/dbraw/zinc/93/83/96/907938396.db2.gz BVNCRWADAKAFGT-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cc(N(C)C)ccn2)ccc1C ZINC001177953176 908836033 /nfs/dbraw/zinc/83/60/33/908836033.db2.gz HGZSMHDNKPFWET-UHFFFAOYSA-N 0 1 390.487 3.606 20 10 GHCDMN C[C@](CO)(NCc1ccc2c(c1)CCCO2)c1ccc(Br)cc1 ZINC001178700030 909196834 /nfs/dbraw/zinc/19/68/34/909196834.db2.gz HGLHKSJWVSYJIS-LJQANCHMSA-N 0 1 376.294 3.771 20 10 GHCDMN [O-]c1c(F)c(F)ccc1C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC001179860100 909785824 /nfs/dbraw/zinc/78/58/24/909785824.db2.gz YQMKQSOMFNHQCW-UHFFFAOYSA-N 0 1 390.199 3.567 20 10 GHCDMN [O-]c1c(F)c(F)ccc1C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC001179860100 909785834 /nfs/dbraw/zinc/78/58/34/909785834.db2.gz YQMKQSOMFNHQCW-UHFFFAOYSA-N 0 1 390.199 3.567 20 10 GHCDMN CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000271266653 910838509 /nfs/dbraw/zinc/83/85/09/910838509.db2.gz LZGYONBKEFJQNM-CQSZACIVSA-N 0 1 395.956 3.917 20 10 GHCDMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000271266653 910838518 /nfs/dbraw/zinc/83/85/18/910838518.db2.gz LZGYONBKEFJQNM-CQSZACIVSA-N 0 1 395.956 3.917 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000271266651 910839406 /nfs/dbraw/zinc/83/94/06/910839406.db2.gz LZGYONBKEFJQNM-AWEZNQCLSA-N 0 1 395.956 3.917 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000271266651 910839417 /nfs/dbraw/zinc/83/94/17/910839417.db2.gz LZGYONBKEFJQNM-AWEZNQCLSA-N 0 1 395.956 3.917 20 10 GHCDMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622219 910884847 /nfs/dbraw/zinc/88/48/47/910884847.db2.gz RPQKDWDXGJGLOS-ZBFHGGJFSA-N 0 1 382.451 3.893 20 10 GHCDMN CCCc1[nH]ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000817550903 911015640 /nfs/dbraw/zinc/01/56/40/911015640.db2.gz ZZNSIEMUYCMLIO-MRXNPFEDSA-N 0 1 375.900 3.721 20 10 GHCDMN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(Br)ccc3[O-])C2)n(C)n1 ZINC000774453702 911759374 /nfs/dbraw/zinc/75/93/74/911759374.db2.gz DXMQTKLYUAACLF-UKRRQHHQSA-N 0 1 393.329 3.516 20 10 GHCDMN COc1ccc(OC2CCN(Cc3cc(Br)ccc3O)CC2)nc1 ZINC001203648886 914889969 /nfs/dbraw/zinc/88/99/69/914889969.db2.gz YPUMRALCOVXGTK-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cc2nc(NCc3cc(C)cc(Br)c3O)[nH]c2cc1OC ZINC000775192587 916149609 /nfs/dbraw/zinc/14/96/09/916149609.db2.gz MWOWNUXTMYWYTI-UHFFFAOYSA-N 0 1 392.253 3.969 20 10 GHCDMN CC(C)[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)COc1ccccc1 ZINC000775202064 916224995 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GHCDMN CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000903172661 922827760 /nfs/dbraw/zinc/82/77/60/922827760.db2.gz AIRVVPBKPAFMIE-SFHVURJKSA-N 0 1 396.940 3.678 20 10 GHCDMN C[C@@H](NCc1cn(C)nc1Br)c1cc(Br)ccc1O ZINC000903188496 922841326 /nfs/dbraw/zinc/84/13/26/922841326.db2.gz RUDQYWAUZNMQHF-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN CC[C@@H](C)CN(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000748626008 923752380 /nfs/dbraw/zinc/75/23/80/923752380.db2.gz BAZJMJAIXKEHAW-QGZVFWFLSA-N 0 1 378.536 3.545 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3oc(SC)cc3C)cc2F)CC1 ZINC000826718984 924101438 /nfs/dbraw/zinc/10/14/38/924101438.db2.gz CWXZYHYKPJGVOU-UHFFFAOYSA-N 0 1 391.512 3.521 20 10 GHCDMN CC(C)(C)CCN1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000827509983 925728959 /nfs/dbraw/zinc/72/89/59/925728959.db2.gz SEYUBGPYHAZDOC-UHFFFAOYSA-N 0 1 386.565 3.510 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000827934309 926322333 /nfs/dbraw/zinc/32/23/33/926322333.db2.gz 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1 398.887 3.591 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(Br)cc1[O-] ZINC000797131104 932196156 /nfs/dbraw/zinc/19/61/56/932196156.db2.gz FGLIRQHCUXKLRA-VERVWZFWSA-N 0 1 382.323 3.884 20 10 GHCDMN Cc1cc(Br)cc([C@@H](C)NCc2nc3c(s2)COCC3)c1O ZINC000927120664 932421224 /nfs/dbraw/zinc/42/12/24/932421224.db2.gz JTQVXMIHGAINBA-SNVBAGLBSA-N 0 1 383.311 3.843 20 10 GHCDMN COc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1[N+](=O)[O-] ZINC001116261332 933442238 /nfs/dbraw/zinc/44/22/38/933442238.db2.gz CTSXATGKWSYXEQ-UHFFFAOYSA-N 0 1 380.422 3.542 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001117634041 933967609 /nfs/dbraw/zinc/96/76/09/933967609.db2.gz XMKPJTFUUXRIHS-YOEHRIQHSA-N 0 1 375.431 3.877 20 10 GHCDMN COC1CCN(c2ccc(CN[C@H](c3nnc4ccccn43)C(C)C)cc2)CC1 ZINC000828722760 934397132 /nfs/dbraw/zinc/39/71/32/934397132.db2.gz RVZJIQLZXWETPM-QFIPXVFZSA-N 0 1 393.535 3.831 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)OCc3ccc4[nH]nnc4c3)ccc21 ZINC001122409429 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ZINC000617070949 879358291 /nfs/dbraw/zinc/35/82/91/879358291.db2.gz AEZZFBORBFVURY-SFHVURJKSA-N 0 1 390.531 3.723 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000790411342 879690222 /nfs/dbraw/zinc/69/02/22/879690222.db2.gz KMDZMTUJTDOCGM-UHFFFAOYSA-N 0 1 392.477 3.576 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000790415495 879697055 /nfs/dbraw/zinc/69/70/55/879697055.db2.gz HHCUQWLVRXFSJD-UHFFFAOYSA-N 0 1 392.864 3.966 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH]cnc4C3)cc2Cl)C1 ZINC000854343360 879739971 /nfs/dbraw/zinc/73/99/71/879739971.db2.gz DKWIOCYUFBDZOX-GOEBONIOSA-N 0 1 386.927 3.721 20 10 GHCDMN CCOC(=O)CSc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000790519037 879788775 /nfs/dbraw/zinc/78/87/75/879788775.db2.gz YELWUESFXNXVHJ-UHFFFAOYSA-N 0 1 394.305 3.818 20 10 GHCDMN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854475871 879838349 /nfs/dbraw/zinc/83/83/49/879838349.db2.gz XGDBMQAHBKHDSK-INIZCTEOSA-N 0 1 384.259 3.534 20 10 GHCDMN CN1CCCc2cc(CNC(=O)NC[C@@H](c3ccco3)N3CCCCC3)ccc21 ZINC000746986043 880252438 /nfs/dbraw/zinc/25/24/38/880252438.db2.gz UGWZWEWWMZOUHV-NRFANRHFSA-N 0 1 396.535 3.688 20 10 GHCDMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000792185621 880972471 /nfs/dbraw/zinc/97/24/71/880972471.db2.gz AUGJGLDOSJWEHO-HSZRJFAPSA-N 0 1 396.510 3.844 20 10 GHCDMN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cc(Br)ccc1[O-] ZINC000324254473 881326016 /nfs/dbraw/zinc/32/60/16/881326016.db2.gz BXMNKQPKIFRRJQ-KRWDZBQOSA-N 0 1 391.309 3.934 20 10 GHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nc(C(C)(C)C)no1 ZINC000805379970 883804673 /nfs/dbraw/zinc/80/46/73/883804673.db2.gz XPFJFMGIASTBMJ-QMMMGPOBSA-N 0 1 387.267 3.940 20 10 GHCDMN CC[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275237795 912786774 /nfs/dbraw/zinc/78/67/74/912786774.db2.gz ZXOPWXCGUSSHGA-BUXKBTBVSA-N 0 1 399.318 3.839 20 10 GHCDMN CCNC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806211586 884454862 /nfs/dbraw/zinc/45/48/62/884454862.db2.gz DALGOHBFDSFAEQ-UHFFFAOYSA-N 0 1 382.247 3.770 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c(C)c1C ZINC000117540259 884740294 /nfs/dbraw/zinc/74/02/94/884740294.db2.gz JCKAZZMTYOAWJD-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691650 912866163 /nfs/dbraw/zinc/86/61/63/912866163.db2.gz SSKNVBVJJSPZSN-HOTGVXAUSA-N 0 1 383.444 3.834 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774691650 912866181 /nfs/dbraw/zinc/86/61/81/912866181.db2.gz SSKNVBVJJSPZSN-HOTGVXAUSA-N 0 1 383.444 3.834 20 10 GHCDMN CCC[C@@H](C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccn1 ZINC000806809284 885008350 /nfs/dbraw/zinc/00/83/50/885008350.db2.gz AIBIPCDTQWNFIE-LJQANCHMSA-N 0 1 398.526 3.563 20 10 GHCDMN CCc1cccc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513153 885496620 /nfs/dbraw/zinc/49/66/20/885496620.db2.gz HUSQQODGPALKGX-UHFFFAOYSA-N 0 1 381.259 3.825 20 10 GHCDMN CCCc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513863 885498676 /nfs/dbraw/zinc/49/86/76/885498676.db2.gz XEYXOYLFMPRWAH-UHFFFAOYSA-N 0 1 381.259 3.906 20 10 GHCDMN CCc1[nH]c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1C(=O)OC ZINC000807839063 885769354 /nfs/dbraw/zinc/76/93/54/885769354.db2.gz HCBFPHLHBDXTQL-UHFFFAOYSA-N 0 1 385.247 3.615 20 10 GHCDMN O=C(CCCNC(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839586 885805680 /nfs/dbraw/zinc/80/56/80/885805680.db2.gz PDYQXPMIRIWLNB-UHFFFAOYSA-N 0 1 381.259 3.525 20 10 GHCDMN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000807839181 885806314 /nfs/dbraw/zinc/80/63/14/885806314.db2.gz JFVUSBUXVHJXBQ-UHFFFAOYSA-N 0 1 384.219 3.726 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000862214813 886212676 /nfs/dbraw/zinc/21/26/76/886212676.db2.gz ACKQFKABVXLJBV-CYBMUJFWSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000862214813 886212694 /nfs/dbraw/zinc/21/26/94/886212694.db2.gz ACKQFKABVXLJBV-CYBMUJFWSA-N 0 1 387.281 3.577 20 10 GHCDMN CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862236836 886237046 /nfs/dbraw/zinc/23/70/46/886237046.db2.gz DXHRUXVRSFOHIX-CYBMUJFWSA-N 0 1 383.330 3.527 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000862251158 886253222 /nfs/dbraw/zinc/25/32/22/886253222.db2.gz WLAJSUGKYOHYBA-OAHLLOKOSA-N 0 1 384.314 3.705 20 10 GHCDMN Cc1cc(NC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n(C)n1 ZINC000119281571 886886817 /nfs/dbraw/zinc/88/68/17/886886817.db2.gz HISRYQUKAQEWMA-KRWDZBQOSA-N 0 1 378.476 3.636 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000747545671 887203339 /nfs/dbraw/zinc/20/33/39/887203339.db2.gz CVKHNRKLOQQBMR-UHFFFAOYSA-N 0 1 390.491 3.922 20 10 GHCDMN COC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c2ccccc12 ZINC000864017555 887522706 /nfs/dbraw/zinc/52/27/06/887522706.db2.gz QJEDKVVRCNUKMN-UHFFFAOYSA-N 0 1 389.499 3.990 20 10 GHCDMN CCOCc1cc(C[NH2+]Cc2cc(Br)ccc2[O-])ccc1OC ZINC000809712699 887731546 /nfs/dbraw/zinc/73/15/46/887731546.db2.gz CFTWCOPORMKSFG-UHFFFAOYSA-N 0 1 380.282 3.990 20 10 GHCDMN CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C)cc(Br)c1[O-] ZINC000809712995 887733959 /nfs/dbraw/zinc/73/39/59/887733959.db2.gz BTTDAGQNBBSRHV-UHFFFAOYSA-N 0 1 383.330 3.688 20 10 GHCDMN CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809723780 887749918 /nfs/dbraw/zinc/74/99/18/887749918.db2.gz ORTWJHUECTZPDB-CQSZACIVSA-N 0 1 385.302 3.598 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000809749668 887784482 /nfs/dbraw/zinc/78/44/82/887784482.db2.gz IWWNCCPZKKXZDJ-INIZCTEOSA-N 0 1 395.297 3.859 20 10 GHCDMN CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229028 888304110 /nfs/dbraw/zinc/30/41/10/888304110.db2.gz QGSXMYFWADQQLC-OAHLLOKOSA-N 0 1 379.444 3.667 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236627 888336966 /nfs/dbraw/zinc/33/69/66/888336966.db2.gz JPUFOYBCATWPHL-KRWDZBQOSA-N 0 1 378.394 3.938 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841752840 889131000 /nfs/dbraw/zinc/13/10/00/889131000.db2.gz QCHVCHBAOXSSCI-LBPRGKRZSA-N 0 1 398.887 3.575 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000811528234 889681859 /nfs/dbraw/zinc/68/18/59/889681859.db2.gz AZTGZFYAQUUJQP-UKRRQHHQSA-N 0 1 380.227 3.620 20 10 GHCDMN COc1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1Cn1cccn1 ZINC000873050580 891444420 /nfs/dbraw/zinc/44/44/20/891444420.db2.gz XPXINDCRFWYBKZ-IBGZPJMESA-N 0 1 379.460 3.562 20 10 GHCDMN COC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccc(F)c(F)c1 ZINC000873100547 891470773 /nfs/dbraw/zinc/47/07/73/891470773.db2.gz VTCADGUXJDUGBA-HXUWFJFHSA-N 0 1 387.430 3.696 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821675 913650291 /nfs/dbraw/zinc/65/02/91/913650291.db2.gz UOPBWTFWSDNTHI-AWEZNQCLSA-N 0 1 378.450 3.552 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821675 913650299 /nfs/dbraw/zinc/65/02/99/913650299.db2.gz UOPBWTFWSDNTHI-AWEZNQCLSA-N 0 1 378.450 3.552 20 10 GHCDMN CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC000825757201 892389905 /nfs/dbraw/zinc/38/99/05/892389905.db2.gz JYTWBONYPNVYGJ-OAHLLOKOSA-N 0 1 389.293 3.640 20 10 GHCDMN CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC000825757201 892389919 /nfs/dbraw/zinc/38/99/19/892389919.db2.gz JYTWBONYPNVYGJ-OAHLLOKOSA-N 0 1 389.293 3.640 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000918179554 893315834 /nfs/dbraw/zinc/31/58/34/893315834.db2.gz CTPBCMFXLINXOA-UHFFFAOYSA-N 0 1 396.878 3.840 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000815148861 893521450 /nfs/dbraw/zinc/52/14/50/893521450.db2.gz NNOKXDPFNYPGIO-UHFFFAOYSA-N 0 1 375.188 3.901 20 10 GHCDMN COc1c([O-])c(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774884346 913885824 /nfs/dbraw/zinc/88/58/24/913885824.db2.gz KSCXWEUDFODMPR-GOSISDBHSA-N 0 1 392.427 3.640 20 10 GHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000826083485 894728997 /nfs/dbraw/zinc/72/89/97/894728997.db2.gz HMIYBSWBRMJVJF-CJNGLKHVSA-N 0 1 382.298 3.662 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000826083485 894729011 /nfs/dbraw/zinc/72/90/11/894729011.db2.gz HMIYBSWBRMJVJF-CJNGLKHVSA-N 0 1 382.298 3.662 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000826083485 894729018 /nfs/dbraw/zinc/72/90/18/894729018.db2.gz HMIYBSWBRMJVJF-CJNGLKHVSA-N 0 1 382.298 3.662 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879023593 894789345 /nfs/dbraw/zinc/78/93/45/894789345.db2.gz FZDUOSONTMDRSG-APPDUMDISA-N 0 1 392.297 3.592 20 10 GHCDMN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000774880494 913904415 /nfs/dbraw/zinc/90/44/15/913904415.db2.gz KAWRFIMZIMFRMI-HNNXBMFYSA-N 0 1 391.462 3.663 20 10 GHCDMN COc1cc(NC(=O)CN(C)Cc2ccc3ccccc3c2O)cc(OC)c1 ZINC000816520415 894875070 /nfs/dbraw/zinc/87/50/70/894875070.db2.gz OLQIRDPSQFPDAZ-UHFFFAOYSA-N 0 1 380.444 3.633 20 10 GHCDMN COc1ccc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1 ZINC000816610303 894972604 /nfs/dbraw/zinc/97/26/04/894972604.db2.gz GKGNTVVNXLALHY-UHFFFAOYSA-N 0 1 376.456 3.512 20 10 GHCDMN CC(C)(CO)[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816638040 894983727 /nfs/dbraw/zinc/98/37/27/894983727.db2.gz YEXMCEOEUTVYFH-OAQYLSRUSA-N 0 1 398.507 3.830 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)c(C)c(C)c1O ZINC000817356377 895529315 /nfs/dbraw/zinc/52/93/15/895529315.db2.gz KGWAAEIONFPCRE-UHFFFAOYSA-N 0 1 375.368 3.859 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907648 913999978 /nfs/dbraw/zinc/99/99/78/913999978.db2.gz DLGDABSTOYXUHD-ZDUSSCGKSA-N 0 1 378.812 3.616 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000774907648 913999987 /nfs/dbraw/zinc/99/99/87/913999987.db2.gz DLGDABSTOYXUHD-ZDUSSCGKSA-N 0 1 378.812 3.616 20 10 GHCDMN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)cc2F)CC1 ZINC000155288477 898563824 /nfs/dbraw/zinc/56/38/24/898563824.db2.gz CHNPHJHYJIPPAK-QGZVFWFLSA-N 0 1 399.510 3.590 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000569524293 898744036 /nfs/dbraw/zinc/74/40/36/898744036.db2.gz MFPGFXJXBCXOHD-UHFFFAOYSA-N 0 1 393.453 3.865 20 10 GHCDMN CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825284354 900071501 /nfs/dbraw/zinc/07/15/01/900071501.db2.gz YTPXFTHWMHTBDV-GOSISDBHSA-N 0 1 380.282 3.765 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447528 900170389 /nfs/dbraw/zinc/17/03/89/900170389.db2.gz VWFWKXCMKFEHCD-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447528 900170394 /nfs/dbraw/zinc/17/03/94/900170394.db2.gz VWFWKXCMKFEHCD-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(Cl)cn1 ZINC000885924268 900639867 /nfs/dbraw/zinc/63/98/67/900639867.db2.gz LVAMWLLAWSFTJN-UHFFFAOYSA-N 0 1 385.817 3.880 20 10 GHCDMN CSCc1n[nH]c(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000886326476 900935285 /nfs/dbraw/zinc/93/52/85/900935285.db2.gz LFJCYGYNTXEKQT-UHFFFAOYSA-N 0 1 379.533 3.520 20 10 GHCDMN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144300041 901651788 /nfs/dbraw/zinc/65/17/88/901651788.db2.gz PIYBMJARAWDTIX-SFHVURJKSA-N 0 1 399.304 3.661 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001144307723 901699603 /nfs/dbraw/zinc/69/96/03/901699603.db2.gz GOZXIJSIDAMYTE-AWEZNQCLSA-N 0 1 381.245 3.732 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)c(C)s3)cc2F)CC1 ZINC000303298598 914601041 /nfs/dbraw/zinc/60/10/41/914601041.db2.gz MKLQSAAZBXEQIA-UHFFFAOYSA-N 0 1 375.513 3.576 20 10 GHCDMN O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000846056269 902614141 /nfs/dbraw/zinc/61/41/41/902614141.db2.gz SEKWXUCTJCGDQB-UHFFFAOYSA-N 0 1 384.863 3.743 20 10 GHCDMN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000846159236 902729403 /nfs/dbraw/zinc/72/94/03/902729403.db2.gz DENGSQBXTOEFIJ-UHFFFAOYSA-N 0 1 382.291 3.781 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NCc3ccc(C)cc3C)cc2F)CC1 ZINC000303321238 914673088 /nfs/dbraw/zinc/67/30/88/914673088.db2.gz RJNQRNLVSCRUEB-UHFFFAOYSA-N 0 1 398.526 3.584 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccccc3C3CC3)CC2)cc1 ZINC001148479996 904085539 /nfs/dbraw/zinc/08/55/39/904085539.db2.gz NNQRVWDRDDBLBR-UHFFFAOYSA-N 0 1 393.531 3.515 20 10 GHCDMN C[C@H](C(=O)Nc1ccccc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153310944 904350282 /nfs/dbraw/zinc/35/02/82/904350282.db2.gz DEMHHLPORMVVOP-MRXNPFEDSA-N 0 1 387.911 3.636 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cncs2)C1 ZINC000889513033 904616474 /nfs/dbraw/zinc/61/64/74/904616474.db2.gz YXALERRSGSJABX-HNNXBMFYSA-N 0 1 382.533 3.742 20 10 GHCDMN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185267001 907742176 /nfs/dbraw/zinc/74/21/76/907742176.db2.gz XDUBTCNMHRQXMW-HNNXBMFYSA-N 0 1 381.451 3.767 20 10 GHCDMN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000185321423 907751863 /nfs/dbraw/zinc/75/18/63/907751863.db2.gz GQCUARQGSWCVSZ-ZDUSSCGKSA-N 0 1 393.329 3.756 20 10 GHCDMN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1[O-] ZINC000185321894 907752047 /nfs/dbraw/zinc/75/20/47/907752047.db2.gz MACSEIRYYFMIKW-CYBMUJFWSA-N 0 1 393.329 3.756 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185355833 907756193 /nfs/dbraw/zinc/75/61/93/907756193.db2.gz XEBFWZCJPZUFAD-AWEZNQCLSA-N 0 1 396.940 3.724 20 10 GHCDMN OCCN(Cc1cc(Br)ccc1F)Cc1cc(F)cc(F)c1O ZINC001204170020 907962278 /nfs/dbraw/zinc/96/22/78/907962278.db2.gz FXKAPAZHTDTAPR-UHFFFAOYSA-N 0 1 390.199 3.567 20 10 GHCDMN COc1cc(C)nc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000777434987 908091039 /nfs/dbraw/zinc/09/10/39/908091039.db2.gz UWFDOCAAKQWOPG-UHFFFAOYSA-N 0 1 395.425 3.544 20 10 GHCDMN CN(C)c1cccc(Cl)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC001177479199 908615487 /nfs/dbraw/zinc/61/54/87/908615487.db2.gz JSVLWEKAOCYQQS-UHFFFAOYSA-N 0 1 387.955 3.905 20 10 GHCDMN COc1ccc(CNCc2cc(F)ccc2OC(F)F)cc1Cn1cccn1 ZINC001179253973 909442224 /nfs/dbraw/zinc/44/22/24/909442224.db2.gz VMNZNBNVQYFCGL-UHFFFAOYSA-N 0 1 391.393 3.970 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001179606981 909605505 /nfs/dbraw/zinc/60/55/05/909605505.db2.gz AXEZFIYUXLPMMR-UHFFFAOYSA-N 0 1 378.266 3.648 20 10 GHCDMN Cc1c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cnn1-c1ccccn1 ZINC000268913132 910067278 /nfs/dbraw/zinc/06/72/78/910067278.db2.gz ZLQZVTPNEIQNLT-UHFFFAOYSA-N 0 1 386.477 3.514 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)c(C)n1-c1cccc(Cl)c1 ZINC001180772580 910355978 /nfs/dbraw/zinc/35/59/78/910355978.db2.gz AGJRGJUNAIYJNL-CQSZACIVSA-N 0 1 383.883 3.683 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091934937 911346296 /nfs/dbraw/zinc/34/62/96/911346296.db2.gz RVRGIVGYRYGNOA-UHFFFAOYSA-N 0 1 399.875 3.785 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cnc(C(C)(C)C)nc3)cc2F)C[C@H](C)O1 ZINC000284470092 911881061 /nfs/dbraw/zinc/88/10/61/911881061.db2.gz VSZMAWREAMQAFH-IYBDPMFKSA-N 0 1 386.515 3.817 20 10 GHCDMN CN(C)c1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000796472847 917601437 /nfs/dbraw/zinc/60/14/37/917601437.db2.gz YNBFVWRKPQWIRV-SFHVURJKSA-N 0 1 381.289 3.652 20 10 GHCDMN CCN1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775432757 917741944 /nfs/dbraw/zinc/74/19/44/917741944.db2.gz LNTWHCYPHQBAHE-GOSISDBHSA-N 0 1 395.551 3.777 20 10 GHCDMN C[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296613983 918472200 /nfs/dbraw/zinc/47/22/00/918472200.db2.gz WLTKUQRHUAUAHP-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775509029 918476844 /nfs/dbraw/zinc/47/68/44/918476844.db2.gz YVWCVRYYBYHADC-LPHOPBHVSA-N 0 1 388.943 3.692 20 10 GHCDMN O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275892582 919283433 /nfs/dbraw/zinc/28/34/33/919283433.db2.gz FTOOQWSUUJTTOW-UHFFFAOYSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCN1c1cccc(Cl)c1 ZINC000749926108 927352672 /nfs/dbraw/zinc/35/26/72/927352672.db2.gz IOWIQLAKGZOYMJ-HNNXBMFYSA-N 0 1 395.684 3.703 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1[O-] ZINC000781151276 930718318 /nfs/dbraw/zinc/71/83/18/930718318.db2.gz ZTYOZFBFQCFAOP-AWEZNQCLSA-N 0 1 377.387 3.532 20 10 GHCDMN CCOc1cccc(CN[C@@H](CCO)c2ccccc2Br)c1O ZINC000781638178 930920128 /nfs/dbraw/zinc/92/01/28/930920128.db2.gz GPRVWRGTMVQUGM-INIZCTEOSA-N 0 1 380.282 3.767 20 10 GHCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781913340 931024942 /nfs/dbraw/zinc/02/49/42/931024942.db2.gz SJADREJMDFHSGK-CVEARBPZSA-N 0 1 383.330 3.684 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000781911471 931025271 /nfs/dbraw/zinc/02/52/71/931025271.db2.gz MNBMZKOVZYAENY-UHFFFAOYSA-N 0 1 396.354 3.628 20 10 GHCDMN CC[C@@H]1C[C@@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000782015121 931061747 /nfs/dbraw/zinc/06/17/47/931061747.db2.gz RRECNELKXXVCAB-ZYSHUDEJSA-N 0 1 394.943 3.722 20 10 GHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924705318 931480744 /nfs/dbraw/zinc/48/07/44/931480744.db2.gz AHXRHABEHZMKCC-KRWDZBQOSA-N 0 1 379.533 3.671 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000797141553 932199334 /nfs/dbraw/zinc/19/93/34/932199334.db2.gz QMSQLMFHFXROSD-MXWKQRLJSA-N 0 1 382.917 3.773 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000797141552 932199483 /nfs/dbraw/zinc/19/94/83/932199483.db2.gz QMSQLMFHFXROSD-GMTAPVOTSA-N 0 1 382.917 3.773 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(Br)cc1[O-] ZINC000798000744 932484916 /nfs/dbraw/zinc/48/49/16/932484916.db2.gz FYQCYSXZKYHPGD-FMKPAKJESA-N 0 1 395.341 3.987 20 10 GHCDMN Cc1cc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1 ZINC000799931786 933175768 /nfs/dbraw/zinc/17/57/68/933175768.db2.gz CLAOJAWOASCDNG-CYBMUJFWSA-N 0 1 375.904 3.607 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC001117756800 934008025 /nfs/dbraw/zinc/00/80/25/934008025.db2.gz KPUVENBRVMBLNU-JXFKEZNVSA-N 0 1 387.911 3.826 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H]([C@@H]3CCOC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828461248 935636646 /nfs/dbraw/zinc/63/66/46/935636646.db2.gz PKURXAZPLZTJFD-DLBZAZTESA-N 0 1 387.911 3.684 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001137834280 935813430 /nfs/dbraw/zinc/81/34/30/935813430.db2.gz APZOTXKJFTVQNQ-IBGZPJMESA-N 0 1 377.410 3.664 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C2CC2)cc1 ZINC001598317992 991310070 /nfs/dbraw/zinc/31/00/70/991310070.db2.gz UCECLWTWVMJCIK-VGOFMYFVSA-N 0 1 380.488 3.894 20 10 GHCDMN CN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001598318347 991314357 /nfs/dbraw/zinc/31/43/57/991314357.db2.gz XDBABMOUVCNPET-NWDGAFQWSA-N 0 1 398.347 3.856 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCCCC(=O)[O-])C1 ZINC001591634579 992940697 /nfs/dbraw/zinc/94/06/97/992940697.db2.gz AQHMHSKYWNAKLK-UHFFFAOYSA-N 0 1 399.535 3.559 20 10 GHCDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167078 998641018 /nfs/dbraw/zinc/64/10/18/998641018.db2.gz JGNYALPTAUNQKK-DZGCQCFKSA-N 0 1 381.314 3.734 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)c([O-])c1I ZINC001248481671 1035907416 /nfs/dbraw/zinc/90/74/16/1035907416.db2.gz AXJBSOPZHZVOAJ-LLVKDONJSA-N 0 1 375.250 3.627 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(N3CCCC3)cc1)[C@@H]2C ZINC001204321900 1032766970 /nfs/dbraw/zinc/76/69/70/1032766970.db2.gz GZOAFAHTSZHEOS-LJQANCHMSA-N 0 1 381.568 3.900 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000092585525 1021085239 /nfs/dbraw/zinc/08/52/39/1021085239.db2.gz ORZWNWACYGYXJA-HNNXBMFYSA-N 0 1 393.528 3.512 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1OC1CCC(F)(F)CC1 ZINC001228517301 1032967462 /nfs/dbraw/zinc/96/74/62/1032967462.db2.gz RWEOZSYEWSTJMB-UHFFFAOYSA-N 0 1 380.343 3.697 20 10 GHCDMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000800543469 1021318422 /nfs/dbraw/zinc/31/84/22/1021318422.db2.gz CFIWAXUAPZBLEY-AWEZNQCLSA-N 0 1 391.309 3.806 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001140340170 1021448906 /nfs/dbraw/zinc/44/89/06/1021448906.db2.gz RUPVUNIWWWPXCT-LDQXTDLNSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001140340170 1021448913 /nfs/dbraw/zinc/44/89/13/1021448913.db2.gz RUPVUNIWWWPXCT-LDQXTDLNSA-N 0 1 388.895 3.779 20 10 GHCDMN COCC[N@H+](Cc1c([O-])cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140341419 1021452528 /nfs/dbraw/zinc/45/25/28/1021452528.db2.gz MUYBIXIGRIAOKS-UHFFFAOYSA-N 0 1 398.931 3.894 20 10 GHCDMN COCC[N@@H+](Cc1c([O-])cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001140341419 1021452534 /nfs/dbraw/zinc/45/25/34/1021452534.db2.gz MUYBIXIGRIAOKS-UHFFFAOYSA-N 0 1 398.931 3.894 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140342789 1021456829 /nfs/dbraw/zinc/45/68/29/1021456829.db2.gz YQCRCPMWWDYWGM-LLVKDONJSA-N 0 1 387.789 3.898 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140342789 1021456834 /nfs/dbraw/zinc/45/68/34/1021456834.db2.gz YQCRCPMWWDYWGM-LLVKDONJSA-N 0 1 387.789 3.898 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140345537 1021459987 /nfs/dbraw/zinc/45/99/87/1021459987.db2.gz WCSQTAXYYVQIJA-FTRWYGJKSA-N 0 1 385.895 3.587 20 10 GHCDMN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140345537 1021459997 /nfs/dbraw/zinc/45/99/97/1021459997.db2.gz WCSQTAXYYVQIJA-FTRWYGJKSA-N 0 1 385.895 3.587 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140467148 1021762602 /nfs/dbraw/zinc/76/26/02/1021762602.db2.gz NEKCWUWDMUEZEQ-CTNGQTDRSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140467148 1021762618 /nfs/dbraw/zinc/76/26/18/1021762618.db2.gz NEKCWUWDMUEZEQ-CTNGQTDRSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001140580595 1021999956 /nfs/dbraw/zinc/99/99/56/1021999956.db2.gz AKVJCJRQNMALTO-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN COC[C@@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)Cc2cn(CC3CCCC3)nc21 ZINC001140581257 1022002505 /nfs/dbraw/zinc/00/25/05/1022002505.db2.gz NTQLZBLFJOIEJM-INIZCTEOSA-N 0 1 391.462 3.803 20 10 GHCDMN COC[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)Cc2cn(CC3CCCC3)nc21 ZINC001140581257 1022002517 /nfs/dbraw/zinc/00/25/17/1022002517.db2.gz NTQLZBLFJOIEJM-INIZCTEOSA-N 0 1 391.462 3.803 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(Cl)c1 ZINC001140923642 1022900448 /nfs/dbraw/zinc/90/04/48/1022900448.db2.gz FHUUQTOESMODTP-CTNGQTDRSA-N 0 1 387.911 3.613 20 10 GHCDMN CC(C)c1ccc(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC001204850887 1033119737 /nfs/dbraw/zinc/11/97/37/1033119737.db2.gz DZHPXJVTNMAMDQ-UHFFFAOYSA-N 0 1 391.533 3.820 20 10 GHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000755986975 1023468004 /nfs/dbraw/zinc/46/80/04/1023468004.db2.gz WESGQCXEFZNTAT-UHFFFAOYSA-N 0 1 392.452 3.649 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756351410 1023602541 /nfs/dbraw/zinc/60/25/41/1023602541.db2.gz JUZYREPSAIUTHS-KUHUBIRLSA-N 0 1 378.875 3.909 20 10 GHCDMN C[C@H](NCc1n[nH]cc1Br)c1cc(Br)cc(F)c1O ZINC000756584026 1023722524 /nfs/dbraw/zinc/72/25/24/1023722524.db2.gz DFXPUASGFYUXSX-LURJTMIESA-N 0 1 393.054 3.630 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])C2)c1 ZINC000756639417 1023748530 /nfs/dbraw/zinc/74/85/30/1023748530.db2.gz YNHBYTWKSROWOM-ZFWWWQNUSA-N 0 1 376.884 3.992 20 10 GHCDMN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756858691 1023837889 /nfs/dbraw/zinc/83/78/89/1023837889.db2.gz VYBVTALVSJVSFA-VGSWGCGISA-N 0 1 392.499 3.570 20 10 GHCDMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545310 1023977885 /nfs/dbraw/zinc/97/78/85/1023977885.db2.gz XHUUGWDBXWBXCO-RHSMWYFYSA-N 0 1 376.884 3.598 20 10 GHCDMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830545310 1023977891 /nfs/dbraw/zinc/97/78/91/1023977891.db2.gz XHUUGWDBXWBXCO-RHSMWYFYSA-N 0 1 376.884 3.598 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001138126896 1024174029 /nfs/dbraw/zinc/17/40/29/1024174029.db2.gz LVOFLPFCFZDLSL-IFMALSPDSA-N 0 1 386.467 3.514 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138386048 1024758730 /nfs/dbraw/zinc/75/87/30/1024758730.db2.gz FYPDPUCARMVLKP-KRWDZBQOSA-N 0 1 377.529 3.640 20 10 GHCDMN COc1ccc2c(CN3CCN(c4ccc(OC)cc4OC)CC3)c[nH]c2c1 ZINC001138592278 1025077841 /nfs/dbraw/zinc/07/78/41/1025077841.db2.gz QCDCJXPEGZBYCC-UHFFFAOYSA-N 0 1 381.476 3.516 20 10 GHCDMN NC(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838852782 1025396138 /nfs/dbraw/zinc/39/61/38/1025396138.db2.gz HFYMIVHZGKRPJX-OAHLLOKOSA-N 0 1 394.357 3.527 20 10 GHCDMN Cc1ccc([C@@]2(C)C[N@@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CCO2)cc1 ZINC001139131308 1025942944 /nfs/dbraw/zinc/94/29/44/1025942944.db2.gz NPCQXCJKTHBNEN-HSZRJFAPSA-N 0 1 379.456 3.863 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001139133226 1025944873 /nfs/dbraw/zinc/94/48/73/1025944873.db2.gz FWHDHMSSOSDYIJ-QGZVFWFLSA-N 0 1 379.338 3.664 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4ccn(C)c4c3)CC2)cc1 ZINC001139207818 1026056045 /nfs/dbraw/zinc/05/60/45/1026056045.db2.gz JYXDUDJFLXIJPD-UHFFFAOYSA-N 0 1 379.504 3.526 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4c(C)nsc4n3)CC2)cc1 ZINC001164330315 1026488277 /nfs/dbraw/zinc/48/82/77/1026488277.db2.gz RGULMPBHSMBQRH-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN Oc1cccc(Br)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001140100742 1026879007 /nfs/dbraw/zinc/87/90/07/1026879007.db2.gz AOLOOHBVUNDAFE-UHFFFAOYSA-N 0 1 377.282 3.731 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100950 1026879361 /nfs/dbraw/zinc/87/93/61/1026879361.db2.gz HUKRQNQGEOWWAH-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100950 1026879375 /nfs/dbraw/zinc/87/93/75/1026879375.db2.gz HUKRQNQGEOWWAH-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNCc1ccccc1I ZINC001461195660 1069434530 /nfs/dbraw/zinc/43/45/30/1069434530.db2.gz OXKBYWRLYXOUFN-UHFFFAOYSA-N 0 1 380.273 3.955 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001203565314 1027436474 /nfs/dbraw/zinc/43/64/74/1027436474.db2.gz ZXZXHGKYURLWEB-YMTOWFKASA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001203564530 1027437021 /nfs/dbraw/zinc/43/70/21/1027437021.db2.gz MBYKFFZXLOVYSQ-CQSZACIVSA-N 0 1 391.103 3.672 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203581916 1027450980 /nfs/dbraw/zinc/45/09/80/1027450980.db2.gz FZPOSPZBFFSMQB-UHFFFAOYSA-N 0 1 393.314 3.976 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203581916 1027450987 /nfs/dbraw/zinc/45/09/87/1027450987.db2.gz FZPOSPZBFFSMQB-UHFFFAOYSA-N 0 1 393.314 3.976 20 10 GHCDMN COC(=O)c1ccc(C2CN(Cc3cc(Br)ccc3O)C2)cc1 ZINC001203649702 1027504718 /nfs/dbraw/zinc/50/47/18/1027504718.db2.gz BHTJWBQBZVOIKF-UHFFFAOYSA-N 0 1 376.250 3.541 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001203656810 1027511492 /nfs/dbraw/zinc/51/14/92/1027511492.db2.gz YISKWQJGUPRLGV-SFHLNBCPSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001203656810 1027511504 /nfs/dbraw/zinc/51/15/04/1027511504.db2.gz YISKWQJGUPRLGV-SFHLNBCPSA-N 0 1 388.895 3.779 20 10 GHCDMN CN1Cc2ccccc2CC2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)C1=O ZINC001203659540 1027516684 /nfs/dbraw/zinc/51/66/84/1027516684.db2.gz WJLARYRYZFBDMV-UHFFFAOYSA-N 0 1 384.907 3.843 20 10 GHCDMN COc1ccc(O)c(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1 ZINC001203673330 1027523651 /nfs/dbraw/zinc/52/36/51/1027523651.db2.gz VJJVSHNKQKXFOI-UHFFFAOYSA-N 0 1 393.487 3.579 20 10 GHCDMN COc1cc(C)ccc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760960 1027804374 /nfs/dbraw/zinc/80/43/74/1027804374.db2.gz LTBRGJGGBVSXQI-HNNXBMFYSA-N 0 1 376.447 3.969 20 10 GHCDMN C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000840864285 1027900612 /nfs/dbraw/zinc/90/06/12/1027900612.db2.gz OVPYIBHTNHHGTE-SWLSCSKDSA-N 0 1 393.281 3.926 20 10 GHCDMN C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000840864283 1027900886 /nfs/dbraw/zinc/90/08/86/1027900886.db2.gz OVPYIBHTNHHGTE-DOMZBBRYSA-N 0 1 393.281 3.926 20 10 GHCDMN CC1CCN(c2ccc(CNCc3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000840895993 1027929813 /nfs/dbraw/zinc/92/98/13/1027929813.db2.gz AHEDJXFMXQBGFO-UHFFFAOYSA-N 0 1 378.563 3.678 20 10 GHCDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997753 1028028928 /nfs/dbraw/zinc/02/89/28/1028028928.db2.gz JSAKPMISJJVCMH-HLIPFELVSA-N 0 1 387.480 3.803 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cc4cc(Cl)cnc4o3)SC2=S)CC1 ZINC000841496805 1028698258 /nfs/dbraw/zinc/69/82/58/1028698258.db2.gz SCLUUNZOMPULFW-RIYZIHGNSA-N 0 1 393.921 3.777 20 10 GHCDMN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745838 1028909270 /nfs/dbraw/zinc/90/92/70/1028909270.db2.gz UDTNEQCPJZGYES-CYBMUJFWSA-N 0 1 382.913 3.583 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Cl)cc3[O-])C2=O)c1 ZINC000841752634 1028911717 /nfs/dbraw/zinc/91/17/17/1028911717.db2.gz UIYUHALTTHOJPA-KZULUSFZSA-N 0 1 390.867 3.519 20 10 GHCDMN Cc1cc(-c2nc([C@H]3CCCN3)no2)c(C)n1-c1ccc(Br)cn1 ZINC000842636863 1029443225 /nfs/dbraw/zinc/44/32/25/1029443225.db2.gz MERLZXOBRCFIAT-CQSZACIVSA-N 0 1 388.269 3.726 20 10 GHCDMN CC(C)Cn1nccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 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WDYACIXHKJHSRU-OAHLLOKOSA-N 0 1 384.530 3.512 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001157435776 1033586897 /nfs/dbraw/zinc/58/68/97/1033586897.db2.gz VDDRJFPHSGPMLC-MRRJBJDNSA-N 0 1 384.442 3.679 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1NCCc2cc(F)ccc21 ZINC001157435433 1033587276 /nfs/dbraw/zinc/58/72/76/1033587276.db2.gz SMCJDCRMTKEVKI-PZJWPPBQSA-N 0 1 382.479 3.775 20 10 GHCDMN CCCC/C=C/[C@@H](C)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229777056 1033706118 /nfs/dbraw/zinc/70/61/18/1033706118.db2.gz NLGJDNGOYVKVFC-VQCYPWCPSA-N 0 1 388.372 3.530 20 10 GHCDMN COc1cc(CN2CCN(c3ncc(C)s3)CC2)c(O)c(C(C)(C)C)c1 ZINC001461869679 1069811875 /nfs/dbraw/zinc/81/18/75/1069811875.db2.gz KFKSWIIAGBPQGR-UHFFFAOYSA-N 0 1 375.538 3.785 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)C1=O ZINC001276518464 1034221263 /nfs/dbraw/zinc/22/12/63/1034221263.db2.gz QBIUSCWYHVJBQY-KPZWWZAWSA-N 0 1 399.304 3.517 20 10 GHCDMN CN(C)c1ccc([C@@H](CNC(=O)CCCC(=O)c2ccccc2)N(C)C)cc1 ZINC001158718105 1034243727 /nfs/dbraw/zinc/24/37/27/1034243727.db2.gz STSGKOJNYGEOHE-OAQYLSRUSA-N 0 1 381.520 3.525 20 10 GHCDMN CC(C)(C)[NH+]1CCC(Oc2cc([O-])ccc2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001231345276 1034529385 /nfs/dbraw/zinc/52/93/85/1034529385.db2.gz PAHSMNRNTRJQAG-UHFFFAOYSA-N 0 1 385.460 3.676 20 10 GHCDMN O=C([O-])c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC001231454542 1034598253 /nfs/dbraw/zinc/59/82/53/1034598253.db2.gz ZRKOPRXMKMAALT-QGZVFWFLSA-N 0 1 381.350 3.683 20 10 GHCDMN COc1ccc(Br)c(CN2CC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001231554660 1034706932 /nfs/dbraw/zinc/70/69/32/1034706932.db2.gz ALYCYWCINYOECQ-CYBMUJFWSA-N 0 1 393.281 3.520 20 10 GHCDMN CCn1ncc2c1CN(Cc1c(C)cc(C)cc1O)C[C@@H]2COc1cccnc1 ZINC001231845287 1034939677 /nfs/dbraw/zinc/93/96/77/1034939677.db2.gz XDGBIGBDLPNBPW-GOSISDBHSA-N 0 1 392.503 3.799 20 10 GHCDMN [O-]c1c(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)ccc2ccccc21 ZINC001231881576 1034965555 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CC(C)c1ccc(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)c(O)c1 ZINC001237053342 1042011440 /nfs/dbraw/zinc/01/14/40/1042011440.db2.gz JSPKQJGXADSAFM-GOSISDBHSA-N 0 1 392.503 3.818 20 10 GHCDMN COc1cc([O-])c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC001237060022 1042015237 /nfs/dbraw/zinc/01/52/37/1042015237.db2.gz PRTRNURLYAVPNZ-CQSZACIVSA-N 0 1 383.330 3.614 20 10 GHCDMN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237062961 1042016073 /nfs/dbraw/zinc/01/60/73/1042016073.db2.gz RLBQPSGNZPUUFF-KRWDZBQOSA-N 0 1 394.393 3.936 20 10 GHCDMN COc1ccccc1O[C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110725 1042043129 /nfs/dbraw/zinc/04/31/29/1042043129.db2.gz IQOXLVARZIYSGG-ZDUSSCGKSA-N 0 1 383.366 3.953 20 10 GHCDMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237210841 1042091905 /nfs/dbraw/zinc/09/19/05/1042091905.db2.gz WHOVIJKXZHEBMW-MRXNPFEDSA-N 0 1 392.952 3.768 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)Cc2cn(CC3CC3)nc21 ZINC001237619599 1042285963 /nfs/dbraw/zinc/28/59/63/1042285963.db2.gz RVWHQGNFFJWDHS-MRXNPFEDSA-N 0 1 393.890 3.927 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CN1c1ccc(F)cc1 ZINC001237619416 1042286714 /nfs/dbraw/zinc/28/67/14/1042286714.db2.gz PWOZQWLJPNVZIK-HXUWFJFHSA-N 0 1 392.833 3.953 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])CCC[C@H]1O ZINC001237783195 1042366191 /nfs/dbraw/zinc/36/61/91/1042366191.db2.gz FVEXGRDSOFGZCG-NOZJJQNGSA-N 0 1 382.220 3.766 20 10 GHCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237784141 1042367604 /nfs/dbraw/zinc/36/76/04/1042367604.db2.gz QRTWUTTWXPLUPP-RNCFNFMXSA-N 0 1 380.204 3.784 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001237784141 1042367606 /nfs/dbraw/zinc/36/76/06/1042367606.db2.gz QRTWUTTWXPLUPP-RNCFNFMXSA-N 0 1 380.204 3.784 20 10 GHCDMN C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2O)CCCC1=O ZINC001237784587 1042368630 /nfs/dbraw/zinc/36/86/30/1042368630.db2.gz XKMHKSNYBMVEMI-VIFPVBQESA-N 0 1 380.204 3.975 20 10 GHCDMN [O-]c1c(C[N@H+]2CCC[C@]23CCOC3)cc(Br)cc1C(F)(F)F ZINC001237792737 1042372673 /nfs/dbraw/zinc/37/26/73/1042372673.db2.gz UYDYJQKJPGZMOI-CQSZACIVSA-N 0 1 380.204 3.928 20 10 GHCDMN CCOC(=O)[C@@H]1c2ccc(OC)cc2CCN1Cc1cc(F)cc(Cl)c1O ZINC001237803808 1042378890 /nfs/dbraw/zinc/37/88/90/1042378890.db2.gz UYCUUMGKRHPYTP-SFHVURJKSA-N 0 1 393.842 3.856 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1cc(F)cc(C)c1O)C2 ZINC001238062697 1042480092 /nfs/dbraw/zinc/48/00/92/1042480092.db2.gz WCKLISCENDCLJV-UHFFFAOYSA-N 0 1 392.478 3.961 20 10 GHCDMN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001265012283 1047540717 /nfs/dbraw/zinc/54/07/17/1047540717.db2.gz VHEAWGVUIRTCFK-PGRDOPGGSA-N 0 1 375.532 3.800 20 10 GHCDMN O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001279442686 1047808996 /nfs/dbraw/zinc/80/89/96/1047808996.db2.gz SLIBKTNMQFUTRZ-IYBDPMFKSA-N 0 1 376.909 3.525 20 10 GHCDMN Cc1ncsc1C[N@@H+]1CCC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)C1 ZINC001279683191 1047912836 /nfs/dbraw/zinc/91/28/36/1047912836.db2.gz AENKGXTVOXWXHL-UHFFFAOYSA-N 0 1 381.904 3.658 20 10 GHCDMN Cc1ncsc1C[N@H+]1CCC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)C1 ZINC001279683191 1047912838 /nfs/dbraw/zinc/91/28/38/1047912838.db2.gz AENKGXTVOXWXHL-UHFFFAOYSA-N 0 1 381.904 3.658 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000728697064 1048243674 /nfs/dbraw/zinc/24/36/74/1048243674.db2.gz JOJZOCFLZOQNTG-ATVHPVEESA-N 0 1 391.408 3.785 20 10 GHCDMN C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001288329823 1049044622 /nfs/dbraw/zinc/04/46/22/1049044622.db2.gz GQLLVJRKEHUQLS-ICFOKQHNSA-N 0 1 383.923 3.812 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001308451128 1049979592 /nfs/dbraw/zinc/97/95/92/1049979592.db2.gz SSXGRCMWHANRNA-ZYHUDNBSSA-N 0 1 386.183 3.883 20 10 GHCDMN CN(C)CC[N@H+](CCc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001308748482 1050080187 /nfs/dbraw/zinc/08/01/87/1050080187.db2.gz OCKYXHGLBVMBQI-UHFFFAOYSA-N 0 1 377.326 3.761 20 10 GHCDMN CN(C)CC[N@@H+](CCc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001308748482 1050080191 /nfs/dbraw/zinc/08/01/91/1050080191.db2.gz OCKYXHGLBVMBQI-UHFFFAOYSA-N 0 1 377.326 3.761 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001308833358 1050113643 /nfs/dbraw/zinc/11/36/43/1050113643.db2.gz XNKQSPIPVZTWRL-HNNXBMFYSA-N 0 1 394.468 3.785 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001308833360 1050113676 /nfs/dbraw/zinc/11/36/76/1050113676.db2.gz XNKQSPIPVZTWRL-OAHLLOKOSA-N 0 1 394.468 3.785 20 10 GHCDMN O=C(Nc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1)C1CC1 ZINC001328689338 1050592894 /nfs/dbraw/zinc/59/28/94/1050592894.db2.gz OORCSVBAFCIUPE-UHFFFAOYSA-N 0 1 375.266 3.793 20 10 GHCDMN COc1ccc(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)nc1 ZINC001328761078 1050627953 /nfs/dbraw/zinc/62/79/53/1050627953.db2.gz BKTYQQRRPGEOKH-UHFFFAOYSA-N 0 1 377.282 3.938 20 10 GHCDMN CC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)c2ccccc21 ZINC001329157592 1050736799 /nfs/dbraw/zinc/73/67/99/1050736799.db2.gz ZOGZOKMJQZTNCF-INIZCTEOSA-N 0 1 375.266 3.742 20 10 GHCDMN O=S(=O)(CCc1c(F)cccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC001309559713 1050813199 /nfs/dbraw/zinc/81/31/99/1050813199.db2.gz JULRRZMXMVSONS-UHFFFAOYSA-N 0 1 396.242 3.639 20 10 GHCDMN O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCc1cc(Cl)cc(Cl)c1O ZINC001309559758 1050813420 /nfs/dbraw/zinc/81/34/20/1050813420.db2.gz KVFIBDSDERZRSI-QMMMGPOBSA-N 0 1 393.119 3.702 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1Cl ZINC001330256386 1050987729 /nfs/dbraw/zinc/98/77/29/1050987729.db2.gz VVQQRFMNDWVAHT-UHFFFAOYSA-N 0 1 382.838 3.759 20 10 GHCDMN Cc1cnnn1-c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001310925591 1051709617 /nfs/dbraw/zinc/70/96/17/1051709617.db2.gz QCCAGWSTUJUSDB-UHFFFAOYSA-N 0 1 392.246 3.910 20 10 GHCDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1Cc2cccc(O)c2C1 ZINC001311368943 1052064895 /nfs/dbraw/zinc/06/48/95/1052064895.db2.gz AUJZLGJMJHPAON-LJQANCHMSA-N 0 1 385.895 3.908 20 10 GHCDMN FC(F)Oc1ccc(N2CCC(NCc3nnc(C4CC4)s3)CC2)cc1 ZINC001336710379 1052312651 /nfs/dbraw/zinc/31/26/51/1052312651.db2.gz QADHLKWBULIPCC-UHFFFAOYSA-N 0 1 380.464 3.776 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001343991074 1054166571 /nfs/dbraw/zinc/16/65/71/1054166571.db2.gz WEODAIKYUGHDHU-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC001344337311 1054360867 /nfs/dbraw/zinc/36/08/67/1054360867.db2.gz UDTSGQPHKUMKBU-ALOPSCKCSA-N 0 1 384.451 3.552 20 10 GHCDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC001344337311 1054360879 /nfs/dbraw/zinc/36/08/79/1054360879.db2.gz UDTSGQPHKUMKBU-ALOPSCKCSA-N 0 1 384.451 3.552 20 10 GHCDMN Cn1ccnc1[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000848079969 1056566271 /nfs/dbraw/zinc/56/62/71/1056566271.db2.gz SXDQHNNKVYIUOB-JTQLQIEISA-N 0 1 396.196 3.785 20 10 GHCDMN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000848560104 1057179359 /nfs/dbraw/zinc/17/93/59/1057179359.db2.gz YKWJKTVXJCZEML-VFNWGFHPSA-N 0 1 399.922 3.781 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC001325357250 1057317744 /nfs/dbraw/zinc/31/77/44/1057317744.db2.gz RACUEULMVJGRRS-MNEFBYGVSA-N 0 1 379.504 3.811 20 10 GHCDMN CC[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCc2ccccc2C1 ZINC001441238006 1058731600 /nfs/dbraw/zinc/73/16/00/1058731600.db2.gz IZBJREPLJNZJFG-QGZVFWFLSA-N 0 1 396.512 3.879 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)cc2F)CC1 ZINC001456127500 1062498977 /nfs/dbraw/zinc/49/89/77/1062498977.db2.gz JAKAEHBTQLMXJA-YQVWRLOYSA-N 0 1 375.532 3.656 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001438885511 1064132540 /nfs/dbraw/zinc/13/25/40/1064132540.db2.gz FPPRCHAUSLRADX-UHFFFAOYSA-N 0 1 399.538 3.887 20 10 GHCDMN CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccc1O ZINC001465951078 1065935259 /nfs/dbraw/zinc/93/52/59/1065935259.db2.gz IFFXZXQCKLIUBB-GOSISDBHSA-N 0 1 388.895 3.708 20 10 GHCDMN CCc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1O ZINC001465951078 1065935261 /nfs/dbraw/zinc/93/52/61/1065935261.db2.gz IFFXZXQCKLIUBB-GOSISDBHSA-N 0 1 388.895 3.708 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001467806756 1067476795 /nfs/dbraw/zinc/47/67/95/1067476795.db2.gz ZGBQSCOUWQEANT-JOCHJYFZSA-N 0 1 379.504 3.653 20 10 GHCDMN CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC001468633106 1067798880 /nfs/dbraw/zinc/79/88/80/1067798880.db2.gz WCVTVNGHLAGHQB-OAHLLOKOSA-N 0 1 398.345 3.609 20 10 GHCDMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC001468633106 1067798889 /nfs/dbraw/zinc/79/88/89/1067798889.db2.gz WCVTVNGHLAGHQB-OAHLLOKOSA-N 0 1 398.345 3.609 20 10 GHCDMN Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-])[NH+](C)C ZINC001478601087 1078930681 /nfs/dbraw/zinc/93/06/81/1078930681.db2.gz AALUGGCOZBTUQN-KDOFPFPSSA-N 0 1 375.900 3.845 20 10 GHCDMN COC(=O)CN(Cc1cccc(Br)c1)Cc1cccc(Cl)c1O ZINC001474491308 1074430030 /nfs/dbraw/zinc/43/00/30/1074430030.db2.gz FJSZMZIQXUSDRP-UHFFFAOYSA-N 0 1 398.684 3.983 20 10 GHCDMN COC(=O)[C@@H](C)Oc1ccccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001474505853 1074437608 /nfs/dbraw/zinc/43/76/08/1074437608.db2.gz GKBXAAMXVFKDLN-GOSISDBHSA-N 0 1 382.504 3.859 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC001474549247 1074459294 /nfs/dbraw/zinc/45/92/94/1074459294.db2.gz BVUXWPKMMLBOQO-HKUYNNGSSA-N 0 1 394.284 3.763 20 10 GHCDMN C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001621462724 1126246521 /nfs/dbraw/zinc/24/65/21/1126246521.db2.gz COERUFLLWUGZMV-KRWDZBQOSA-N 0 1 384.701 3.891 20 10 GHCDMN O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1O ZINC000739785520 600144831 /nfs/dbraw/zinc/14/48/31/600144831.db2.gz OIADYZUPKMIFOA-UHFFFAOYSA-N 0 1 397.258 3.614 20 10 GHCDMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830722599 600828133 /nfs/dbraw/zinc/82/81/33/600828133.db2.gz FUPZXZJVBNMNSN-LHUXKHBRSA-N 0 1 395.459 3.651 20 10 GHCDMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCCC2)c(F)c1 ZINC000824607547 608283925 /nfs/dbraw/zinc/28/39/25/608283925.db2.gz ZQUOZAYZLBOUCU-CQSZACIVSA-N 0 1 398.461 3.986 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CC3)n(C)n2)C1 ZINC000685893825 836686036 /nfs/dbraw/zinc/68/60/36/836686036.db2.gz UOTGCNSVKRZGDU-UHFFFAOYSA-N 0 1 391.519 3.657 20 10 GHCDMN COc1cccc(-c2csc(CNCc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000892669485 837938821 /nfs/dbraw/zinc/93/88/21/837938821.db2.gz ZBTGJLZWZOIMAA-UHFFFAOYSA-N 0 1 395.528 3.945 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1O ZINC000378006613 838272668 /nfs/dbraw/zinc/27/26/68/838272668.db2.gz OZAOVTHKKODJFV-OAQYLSRUSA-N 0 1 390.499 3.737 20 10 GHCDMN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001125975984 841012885 /nfs/dbraw/zinc/01/28/85/841012885.db2.gz GQCATFYIEPRZAC-MOPGFXCFSA-N 0 1 375.532 3.800 20 10 GHCDMN COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000760015133 845603728 /nfs/dbraw/zinc/60/37/28/845603728.db2.gz IQKCJKRXAYUOQX-MRXNPFEDSA-N 0 1 399.512 3.816 20 10 GHCDMN O=C(Nc1cccc(F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731851838 861907896 /nfs/dbraw/zinc/90/78/96/861907896.db2.gz GXDAQWHAGPHUHG-QGZVFWFLSA-N 0 1 377.847 3.971 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)ccc1[O-] ZINC000155084446 849450137 /nfs/dbraw/zinc/45/01/37/849450137.db2.gz XAZKRARJSPFRKL-INIZCTEOSA-N 0 1 387.281 3.976 20 10 GHCDMN COCc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000125661851 849559134 /nfs/dbraw/zinc/55/91/34/849559134.db2.gz BBQNUVJAUACKMK-UHFFFAOYSA-N 0 1 384.398 3.571 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000732259634 862177672 /nfs/dbraw/zinc/17/76/72/862177672.db2.gz SWTMBHWOOLNVOG-IBGZPJMESA-N 0 1 379.548 3.938 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCCS2)C1 ZINC000435808893 850889761 /nfs/dbraw/zinc/88/97/61/850889761.db2.gz LIZYDYXCKHFCHB-JOCHJYFZSA-N 0 1 385.577 3.810 20 10 GHCDMN COCc1csc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000518471360 853386216 /nfs/dbraw/zinc/38/62/16/853386216.db2.gz PVQSXEOWWQWKAX-UHFFFAOYSA-N 0 1 398.532 3.649 20 10 GHCDMN COCOc1ccc(OC)cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000163792526 853597814 /nfs/dbraw/zinc/59/78/14/853597814.db2.gz UGPLYTVDLCSNSQ-UHFFFAOYSA-N 0 1 388.533 3.521 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000760701030 854385052 /nfs/dbraw/zinc/38/50/52/854385052.db2.gz OSVINUSHBOFWAJ-UHFFFAOYSA-N 0 1 391.187 3.737 20 10 GHCDMN CC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000067382642 855068038 /nfs/dbraw/zinc/06/80/38/855068038.db2.gz OHMBTFWJETYHIL-CQSZACIVSA-N 0 1 391.309 3.656 20 10 GHCDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000067382642 855068045 /nfs/dbraw/zinc/06/80/45/855068045.db2.gz OHMBTFWJETYHIL-CQSZACIVSA-N 0 1 391.309 3.656 20 10 GHCDMN O=S(=O)(CCNCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000067449968 856243344 /nfs/dbraw/zinc/24/33/44/856243344.db2.gz FWNXMQTUEAFMSF-UHFFFAOYSA-N 0 1 392.952 3.894 20 10 GHCDMN C[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766134765 857381400 /nfs/dbraw/zinc/38/14/00/857381400.db2.gz BEUAANLPGLHJTI-PGRDOPGGSA-N 0 1 394.494 3.951 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706868878 857930328 /nfs/dbraw/zinc/93/03/28/857930328.db2.gz UJBSWCPQXSIGDU-AWEZNQCLSA-N 0 1 385.302 3.548 20 10 GHCDMN CCOc1ccc(N2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC001170354384 881396893 /nfs/dbraw/zinc/39/68/93/881396893.db2.gz KFVHWZRTYWXZNS-KRWDZBQOSA-N 0 1 399.491 3.755 20 10 GHCDMN O=C(NCCCCC[NH+]1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000764782475 859609365 /nfs/dbraw/zinc/60/93/65/859609365.db2.gz ZUHCCWRKRIHLHB-UHFFFAOYSA-N 0 1 398.345 3.610 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000761225379 859625154 /nfs/dbraw/zinc/62/51/54/859625154.db2.gz GCQYFCKIZGTKHT-SFHVURJKSA-N 0 1 376.294 3.928 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000761225379 859625158 /nfs/dbraw/zinc/62/51/58/859625158.db2.gz GCQYFCKIZGTKHT-SFHVURJKSA-N 0 1 376.294 3.928 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(F)ccc1F ZINC000765245990 859863480 /nfs/dbraw/zinc/86/34/80/859863480.db2.gz QLLLBOVOTIQEPH-IIBYNOLFSA-N 0 1 387.474 3.907 20 10 GHCDMN Cc1ccc([C@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1 ZINC000765278422 859881991 /nfs/dbraw/zinc/88/19/91/859881991.db2.gz ZLOXBYBBCGNSGV-KRWDZBQOSA-N 0 1 395.482 3.695 20 10 GHCDMN CCc1ccc([C@H](C)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000730193649 860935646 /nfs/dbraw/zinc/93/56/46/860935646.db2.gz PGEALYSPEPLBDP-SFHVURJKSA-N 0 1 397.538 3.950 20 10 GHCDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000730228730 860954894 /nfs/dbraw/zinc/95/48/94/860954894.db2.gz WUDUFFIPLLZSQR-GOSISDBHSA-N 0 1 396.579 3.583 20 10 GHCDMN C[C@@H](NC1(c2ncc(Br)cn2)CCC1)c1cc(F)cc(F)c1O ZINC000927148427 864676227 /nfs/dbraw/zinc/67/62/27/864676227.db2.gz UJQAAKGYWLHCBF-SECBINFHSA-N 0 1 384.224 3.953 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000301201112 865222406 /nfs/dbraw/zinc/22/24/06/865222406.db2.gz MUPXYEQMNGSAPS-CYBMUJFWSA-N 0 1 386.805 3.931 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000301201112 865222420 /nfs/dbraw/zinc/22/24/20/865222420.db2.gz MUPXYEQMNGSAPS-CYBMUJFWSA-N 0 1 386.805 3.931 20 10 GHCDMN COc1ccc(N2CCN(C(=O)CN3CCCCC[C@H]3c3ccco3)CC2)cc1 ZINC000736623784 865248644 /nfs/dbraw/zinc/24/86/44/865248644.db2.gz SMMRJIYXVTURIF-NRFANRHFSA-N 0 1 397.519 3.554 20 10 GHCDMN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185122993 865333403 /nfs/dbraw/zinc/33/34/03/865333403.db2.gz KWSUKZPWWGTHOJ-CABCVRRESA-N 0 1 384.501 3.865 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cc1F ZINC000738414094 865538769 /nfs/dbraw/zinc/53/87/69/865538769.db2.gz CKWDQHLNNVGRAK-HRAATJIYSA-N 0 1 387.474 3.907 20 10 GHCDMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 ZINC000739921805 865828877 /nfs/dbraw/zinc/82/88/77/865828877.db2.gz PUWMAGLZHZFDGO-MRXNPFEDSA-N 0 1 392.446 3.847 20 10 GHCDMN C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000121309254 866050847 /nfs/dbraw/zinc/05/08/47/866050847.db2.gz WMMFYZZBVQYXHI-UHFFFAOYSA-N 0 1 380.467 3.684 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3cccc4c3OC(F)(F)O4)cc2)CC1 ZINC000840884854 866094211 /nfs/dbraw/zinc/09/42/11/866094211.db2.gz RFOFTZCHBRZRMG-UHFFFAOYSA-N 0 1 390.430 3.507 20 10 GHCDMN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000840889027 866187115 /nfs/dbraw/zinc/18/71/15/866187115.db2.gz DPVMZYPBISRFGD-CQSZACIVSA-N 0 1 379.444 3.667 20 10 GHCDMN CN(C)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C(F)(F)F)c1 ZINC000793185777 881995369 /nfs/dbraw/zinc/99/53/69/881995369.db2.gz AJKMUWDFPKUUDH-UHFFFAOYSA-N 0 1 397.401 3.713 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3cccc(F)c3)cc2F)CC1 ZINC000741927490 866913105 /nfs/dbraw/zinc/91/31/05/866913105.db2.gz PGRZLZDMUJMCDK-MRXNPFEDSA-N 0 1 387.474 3.527 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOC(C)(C)C2)C1 ZINC000457191646 867793805 /nfs/dbraw/zinc/79/38/05/867793805.db2.gz TVTXTROSBISHSN-GOSISDBHSA-N 0 1 397.563 3.729 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCc1ccccc1 ZINC000743871011 868468209 /nfs/dbraw/zinc/46/82/09/868468209.db2.gz LYRUKOULJKXFPM-AWEZNQCLSA-N 0 1 391.309 3.682 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000011853454 882423992 /nfs/dbraw/zinc/42/39/92/882423992.db2.gz DNCXGALXDGAUGC-UHFFFAOYSA-N 0 1 395.547 3.563 20 10 GHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001168820279 870906801 /nfs/dbraw/zinc/90/68/01/870906801.db2.gz AIVIUYAGBHFDHJ-BXUZGUMPSA-N 0 1 385.302 3.642 20 10 GHCDMN CN(C)c1ccc(-c2nc(C(=O)N3CCC(c4cnc[nH]4)CC3)cs2)cc1 ZINC001193174582 870907566 /nfs/dbraw/zinc/90/75/66/870907566.db2.gz SSRBZRYEUQWYLY-UHFFFAOYSA-N 0 1 381.505 3.619 20 10 GHCDMN CCOc1ccc(N2CCN([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001168878814 870964549 /nfs/dbraw/zinc/96/45/49/870964549.db2.gz DOCMEOXDIBLHPV-HKUYNNGSSA-N 0 1 389.540 3.605 20 10 GHCDMN O=C(NCCc1ccc(OCc2ccccn2)cc1)c1cc(O)c(O)c(Cl)c1 ZINC001193633998 871200824 /nfs/dbraw/zinc/20/08/24/871200824.db2.gz OCSMIQBLTAJGJB-UHFFFAOYSA-N 0 1 398.846 3.698 20 10 GHCDMN COC(=O)c1cc(CN(C)Cc2cc(Br)cc(C)c2O)oc1C ZINC000775644283 872224125 /nfs/dbraw/zinc/22/41/25/872224125.db2.gz DPFZYDPJAZRRDJ-UHFFFAOYSA-N 0 1 382.254 3.783 20 10 GHCDMN COc1ccc(O)c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000775644404 872224648 /nfs/dbraw/zinc/22/46/48/872224648.db2.gz FJJUPOZSMVHYPK-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1 ZINC000619392319 872592648 /nfs/dbraw/zinc/59/26/48/872592648.db2.gz XCQPUJKXDDUNHO-LJQANCHMSA-N 0 1 389.490 3.815 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCc2cccnc21 ZINC000768080050 873052979 /nfs/dbraw/zinc/05/29/79/873052979.db2.gz MFLXNMQSTSVACM-MOPGFXCFSA-N 0 1 399.922 3.641 20 10 GHCDMN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000768532062 873363954 /nfs/dbraw/zinc/36/39/54/873363954.db2.gz HRBOASLIEJRARV-SFHVURJKSA-N 0 1 392.503 3.938 20 10 GHCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000102687628 873459316 /nfs/dbraw/zinc/45/93/16/873459316.db2.gz NDWWVTBQFBNZRC-CQSZACIVSA-N 0 1 379.426 3.738 20 10 GHCDMN O=C(c1ccc(O)cc1)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768778966 873573454 /nfs/dbraw/zinc/57/34/54/873573454.db2.gz UFIFVIBJBRWHFM-UHFFFAOYSA-N 0 1 388.467 3.723 20 10 GHCDMN Cc1cc(N(C)C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000769024164 873747919 /nfs/dbraw/zinc/74/79/19/873747919.db2.gz UOCOWDKVASCJHE-FGZHOGPDSA-N 0 1 387.955 3.876 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000527940461 873781889 /nfs/dbraw/zinc/78/18/89/873781889.db2.gz UKCCHNWBDCTWQM-NOZJJQNGSA-N 0 1 378.192 3.805 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000527940463 873781951 /nfs/dbraw/zinc/78/19/51/873781951.db2.gz UKCCHNWBDCTWQM-RNCFNFMXSA-N 0 1 378.192 3.805 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769403874 874024502 /nfs/dbraw/zinc/02/45/02/874024502.db2.gz YJVOZNCUTJGHPS-MRXNPFEDSA-N 0 1 389.883 3.908 20 10 GHCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769403874 874024522 /nfs/dbraw/zinc/02/45/22/874024522.db2.gz YJVOZNCUTJGHPS-MRXNPFEDSA-N 0 1 389.883 3.908 20 10 GHCDMN COc1ccc(N2CCN(CCN[C@@H](C)c3csc(C(C)C)n3)CC2)cc1 ZINC000769411625 874029329 /nfs/dbraw/zinc/02/93/29/874029329.db2.gz DLZQDXNPFVPNPJ-KRWDZBQOSA-N 0 1 388.581 3.748 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(F)(F)C(F)F)C1 ZINC000769664529 874221868 /nfs/dbraw/zinc/22/18/68/874221868.db2.gz GOGYNALYMXOCMA-UHFFFAOYSA-N 0 1 386.389 3.851 20 10 GHCDMN CCOCCOCc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858097298 882842055 /nfs/dbraw/zinc/84/20/55/882842055.db2.gz IAQRFZZFCLZWSI-UHFFFAOYSA-N 0 1 394.309 3.998 20 10 GHCDMN O=C(Cc1c(F)cccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054518 875012410 /nfs/dbraw/zinc/01/24/10/875012410.db2.gz UZWAPNGRIFZXDF-HNNXBMFYSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2cnccc21 ZINC000771059462 875014326 /nfs/dbraw/zinc/01/43/26/875014326.db2.gz ROHDSYKLGOWZAR-GOSISDBHSA-N 0 1 395.890 3.988 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC001199823806 875211395 /nfs/dbraw/zinc/21/13/95/875211395.db2.gz WDDNEJDZSLWPOR-JTQLQIEISA-N 0 1 376.667 3.882 20 10 GHCDMN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771520288 875310120 /nfs/dbraw/zinc/31/01/20/875310120.db2.gz IRXJHERBSGXZDX-FQEVSTJZSA-N 0 1 384.911 3.678 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000771924536 875528933 /nfs/dbraw/zinc/52/89/33/875528933.db2.gz MPLIQFAZSLAVEC-UHFFFAOYSA-N 0 1 378.407 3.907 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nc2c(s1)CCCC2 ZINC000772445172 875962661 /nfs/dbraw/zinc/96/26/61/875962661.db2.gz OWLAOMPLNRFCHH-RDJZCZTQSA-N 0 1 398.576 3.574 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCCN1C1CCCCC1 ZINC000785547241 876099657 /nfs/dbraw/zinc/09/96/57/876099657.db2.gz DTAFMULOMIRJTJ-MRXNPFEDSA-N 0 1 381.314 3.568 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(F)cc3Cl)cc2F)CC1 ZINC000106702229 876238727 /nfs/dbraw/zinc/23/87/27/876238727.db2.gz BXYQDXUOGGIEFQ-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000850487103 876962175 /nfs/dbraw/zinc/96/21/75/876962175.db2.gz FUUVFJBWIGNATB-DENIHFKCSA-N 0 1 380.467 3.526 20 10 GHCDMN CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000850498345 876974210 /nfs/dbraw/zinc/97/42/10/876974210.db2.gz ZZDJRCGQRKBODC-FIKIJFGZSA-N 0 1 388.249 3.506 20 10 GHCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(Br)ccc1[O-] ZINC000850532524 877003395 /nfs/dbraw/zinc/00/33/95/877003395.db2.gz VBKUAOGGXKKYHU-GFCCVEGCSA-N 0 1 390.343 3.553 20 10 GHCDMN CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850562866 877028312 /nfs/dbraw/zinc/02/83/12/877028312.db2.gz PRTAESISZDTWLU-MAUKXSAKSA-N 0 1 386.330 3.763 20 10 GHCDMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000007485556 877066679 /nfs/dbraw/zinc/06/66/79/877066679.db2.gz OGEYDGQYNKBKPW-UHFFFAOYSA-N 0 1 395.532 3.597 20 10 GHCDMN COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000093363755 912222902 /nfs/dbraw/zinc/22/29/02/912222902.db2.gz ZLKZDQQANASXMF-UHFFFAOYSA-N 0 1 386.275 3.711 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@H]2CC2(F)F)C1 ZINC000851383327 877638255 /nfs/dbraw/zinc/63/82/55/877638255.db2.gz AXEICCUFDKRVSZ-HNNXBMFYSA-N 0 1 376.447 3.996 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795672135 912292523 /nfs/dbraw/zinc/29/25/23/912292523.db2.gz ZFDJZLRFABXKKW-CQSZACIVSA-N 0 1 380.410 3.826 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795672135 912292555 /nfs/dbraw/zinc/29/25/55/912292555.db2.gz ZFDJZLRFABXKKW-CQSZACIVSA-N 0 1 380.410 3.826 20 10 GHCDMN Cc1ccc(-c2nnc(NCc3ccc(N4CCN(C)CC4)cc3)o2)c(C)c1 ZINC000788865524 878394628 /nfs/dbraw/zinc/39/46/28/878394628.db2.gz RFCVXJKGABGWLD-UHFFFAOYSA-N 0 1 377.492 3.717 20 10 GHCDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(C(C)(C)N)no1 ZINC000852883264 878644537 /nfs/dbraw/zinc/64/45/37/878644537.db2.gz WERNQSCCGFBGMY-OAHLLOKOSA-N 0 1 379.460 3.978 20 10 GHCDMN C[C@@]1(O)CCCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203562203 912381869 /nfs/dbraw/zinc/38/18/69/912381869.db2.gz DYAWGGPZSIJNRD-CQSZACIVSA-N 0 1 393.119 3.654 20 10 GHCDMN C[C@H](NCc1cnccc1C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000853239797 878921947 /nfs/dbraw/zinc/92/19/47/878921947.db2.gz DTSQPIKQONJWOE-ZDUSSCGKSA-N 0 1 383.389 3.927 20 10 GHCDMN C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000130875636 879741779 /nfs/dbraw/zinc/74/17/79/879741779.db2.gz PMHATQXLPCIOCR-AWEZNQCLSA-N 0 1 388.899 3.518 20 10 GHCDMN Cc1ccc(NCCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000805131806 883612024 /nfs/dbraw/zinc/61/20/24/883612024.db2.gz NCRHCVQBQPZCLB-UHFFFAOYSA-N 0 1 383.279 3.704 20 10 GHCDMN Cc1cccn2cc(CCNC(=O)NCc3cc(Cl)cc(Cl)c3O)nc12 ZINC000805166543 883649001 /nfs/dbraw/zinc/64/90/01/883649001.db2.gz JTTCAERCQQPMMD-UHFFFAOYSA-N 0 1 393.274 3.697 20 10 GHCDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806085188 884331764 /nfs/dbraw/zinc/33/17/64/884331764.db2.gz BYDGKTARTIIUKR-UHFFFAOYSA-N 0 1 386.191 3.938 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000806182832 884425550 /nfs/dbraw/zinc/42/55/50/884425550.db2.gz DNTAHCHKAOHPHD-AEFFLSMTSA-N 0 1 396.512 3.659 20 10 GHCDMN CN1C(=O)CCc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000806260656 884514887 /nfs/dbraw/zinc/51/48/87/884514887.db2.gz NUGHSYFJSRVFEX-UHFFFAOYSA-N 0 1 394.258 3.930 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncccc3C(F)(F)F)CC2)cc1 ZINC000914863127 885035586 /nfs/dbraw/zinc/03/55/86/885035586.db2.gz HUQVRTAMXYDUGV-UHFFFAOYSA-N 0 1 394.441 3.733 20 10 GHCDMN Cc1cc(C(=O)COC(=O)c2[nH]nc3c2CCC3)c(C)n1-c1ccccc1C ZINC000919331971 885357581 /nfs/dbraw/zinc/35/75/81/885357581.db2.gz QLMPULCQYHMNLG-UHFFFAOYSA-N 0 1 377.444 3.654 20 10 GHCDMN COc1cccc(C2=NO[C@H](C(=O)NCc3cc(Cl)cc(Cl)c3O)C2)c1 ZINC000807839978 885771679 /nfs/dbraw/zinc/77/16/79/885771679.db2.gz OGWYGFNIRVVCES-INIZCTEOSA-N 0 1 395.242 3.517 20 10 GHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)N1CCc2ccccc2C1 ZINC000807837366 885802717 /nfs/dbraw/zinc/80/27/17/885802717.db2.gz MXRCGTVSRNAKKE-LBPRGKRZSA-N 0 1 379.287 3.762 20 10 GHCDMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC001184087644 912992075 /nfs/dbraw/zinc/99/20/75/912992075.db2.gz FRLUHRAPGNVFCR-FQEVSTJZSA-N 0 1 394.468 3.643 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(O)cccc1Br ZINC000862214260 886212392 /nfs/dbraw/zinc/21/23/92/886212392.db2.gz LTZBEIWCOYXAIR-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000862413932 886360052 /nfs/dbraw/zinc/36/00/52/886360052.db2.gz GFYXXUPFGDIMFK-JKSUJKDBSA-N 0 1 376.294 3.753 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000862413932 886360065 /nfs/dbraw/zinc/36/00/65/886360065.db2.gz GFYXXUPFGDIMFK-JKSUJKDBSA-N 0 1 376.294 3.753 20 10 GHCDMN C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000155097216 886380224 /nfs/dbraw/zinc/38/02/24/886380224.db2.gz ZBEJFZRBRLYXDT-MRXNPFEDSA-N 0 1 389.565 3.680 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000809697020 887676197 /nfs/dbraw/zinc/67/61/97/887676197.db2.gz BOADMBDTGQLYTG-JSGCOSHPSA-N 0 1 384.364 3.764 20 10 GHCDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(Br)ccc1O ZINC000809771909 887763386 /nfs/dbraw/zinc/76/33/86/887763386.db2.gz PNOFOBIZJHAXHB-FZMZJTMJSA-N 0 1 385.302 3.642 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000809749594 887785011 /nfs/dbraw/zinc/78/50/11/887785011.db2.gz PPKXFWZESJLUSK-UHFFFAOYSA-N 0 1 393.462 3.828 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228185 888303718 /nfs/dbraw/zinc/30/37/18/888303718.db2.gz RCDNZPKBSUTAQQ-BPQIPLTHSA-N 0 1 383.410 3.936 20 10 GHCDMN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241654 888340915 /nfs/dbraw/zinc/34/09/15/888340915.db2.gz XDRAZHCBAPBEOG-AWEZNQCLSA-N 0 1 379.444 3.809 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1-c1ccccc1 ZINC000916089058 888693158 /nfs/dbraw/zinc/69/31/58/888693158.db2.gz XTPSBOBUCRQKAZ-UHFFFAOYSA-N 0 1 388.470 3.691 20 10 GHCDMN COc1ccc([C@H](CNC(=O)CSc2nccs2)N2CCCCC2)cc1 ZINC000916146660 888767320 /nfs/dbraw/zinc/76/73/20/888767320.db2.gz QIJGVYMSNPMEOQ-KRWDZBQOSA-N 0 1 391.562 3.587 20 10 GHCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000811703581 889876913 /nfs/dbraw/zinc/87/69/13/889876913.db2.gz WEFHDHCVFZAOAZ-UHFFFAOYSA-N 0 1 386.473 3.975 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000811700661 889906242 /nfs/dbraw/zinc/90/62/42/889906242.db2.gz OGOUDKSTQLEDGK-UHFFFAOYSA-N 0 1 395.440 3.959 20 10 GHCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)c1ccccc1 ZINC000123035265 890285018 /nfs/dbraw/zinc/28/50/18/890285018.db2.gz KWVGISZAEDRGLK-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)ccc1[O-] ZINC000812739757 890922328 /nfs/dbraw/zinc/92/23/28/890922328.db2.gz CHKKPJBGYJFCLU-YPMHNXCESA-N 0 1 393.256 3.750 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCCN1C1CCCCC1 ZINC000825634514 891366034 /nfs/dbraw/zinc/36/60/34/891366034.db2.gz NXVALGKEMWJBNM-INIZCTEOSA-N 0 1 381.314 3.568 20 10 GHCDMN COc1ccc(N2CCN([C@H]3CCc4cc(F)cc(F)c4C3)CC2)c(OC)c1 ZINC001170716057 892089722 /nfs/dbraw/zinc/08/97/22/892089722.db2.gz OOIAUPLUTSRTLH-KRWDZBQOSA-N 0 1 388.458 3.662 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000825804224 892732194 /nfs/dbraw/zinc/73/21/94/892732194.db2.gz XQOXAXANHBFJRT-UHFFFAOYSA-N 0 1 399.292 3.900 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000825804224 892732197 /nfs/dbraw/zinc/73/21/97/892732197.db2.gz XQOXAXANHBFJRT-UHFFFAOYSA-N 0 1 399.292 3.900 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000125581308 892800821 /nfs/dbraw/zinc/80/08/21/892800821.db2.gz FUEDBZOIWKBEEY-DENIHFKCSA-N 0 1 393.531 3.576 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)c1[O-] ZINC000814654016 893007774 /nfs/dbraw/zinc/00/77/74/893007774.db2.gz ALUGSZHMXLMKBS-CYBMUJFWSA-N 0 1 386.423 3.931 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C2CC2)cc1 ZINC000918056536 893069519 /nfs/dbraw/zinc/06/95/19/893069519.db2.gz JKVADYVHYLYNII-OAQYLSRUSA-N 0 1 396.535 3.857 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000918090349 893101649 /nfs/dbraw/zinc/10/16/49/893101649.db2.gz XTPBMNWBDQEKAS-NRFANRHFSA-N 0 1 386.515 3.774 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1ccc(-c2cnco2)cc1 ZINC001185227039 913741439 /nfs/dbraw/zinc/74/14/39/913741439.db2.gz GDAWXSABOMFWIO-UHFFFAOYSA-N 0 1 384.335 3.867 20 10 GHCDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000187459222 893229206 /nfs/dbraw/zinc/22/92/06/893229206.db2.gz XGKBDFHVPZLBRR-QGZVFWFLSA-N 0 1 395.425 3.855 20 10 GHCDMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])CC2)cs1 ZINC000876806174 893337438 /nfs/dbraw/zinc/33/74/38/893337438.db2.gz LZRAUSJGEDWOBS-CYBMUJFWSA-N 0 1 397.491 3.542 20 10 GHCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1OCC1CCOCC1 ZINC000826042034 894347628 /nfs/dbraw/zinc/34/76/28/894347628.db2.gz RXYKBKSLFIPQTJ-UHFFFAOYSA-N 0 1 375.396 3.603 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774880126 913903655 /nfs/dbraw/zinc/90/36/55/913903655.db2.gz GSXMYOVAQVMXMT-VQIMIIECSA-N 0 1 399.491 3.794 20 10 GHCDMN O=C(Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1)[C@@H]1CCCO1 ZINC000816539733 894909093 /nfs/dbraw/zinc/90/90/93/894909093.db2.gz RCQMTGUUNURVKP-NRFANRHFSA-N 0 1 376.456 3.953 20 10 GHCDMN NC(=O)N=Nc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001135976004 895840115 /nfs/dbraw/zinc/84/01/15/895840115.db2.gz AWONPBXZBUJUHR-UHFFFAOYSA-N 0 1 399.882 3.897 20 10 GHCDMN CCN(Cc1cnc(C2OCCO2)s1)Cc1cc(Br)ccc1O ZINC000289038211 914008655 /nfs/dbraw/zinc/00/86/55/914008655.db2.gz AMHUUAYIBRUNTJ-UHFFFAOYSA-N 0 1 399.310 3.679 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@H]3CCOC[C@@H]3C)no2)C1 ZINC000567397803 897117664 /nfs/dbraw/zinc/11/76/64/897117664.db2.gz XUKYALSSGKTNKF-IRXDYDNUSA-N 0 1 394.519 3.979 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000820133725 897183613 /nfs/dbraw/zinc/18/36/13/897183613.db2.gz PFHIVZNNXKYSHJ-IBGZPJMESA-N 0 1 395.547 3.728 20 10 GHCDMN Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc(C)n1 ZINC000569210843 898430969 /nfs/dbraw/zinc/43/09/69/898430969.db2.gz GZZGHMPWUDFFBS-UHFFFAOYSA-N 0 1 390.531 3.736 20 10 GHCDMN CN(C)C(=O)COc1ccccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000155248272 898500025 /nfs/dbraw/zinc/50/00/25/898500025.db2.gz KEMDHENAFMROKW-UHFFFAOYSA-N 0 1 395.547 3.776 20 10 GHCDMN CN1CCN(c2ccc(CNc3cccc(-c4n[nH]c(C5CC5)n4)c3)cc2)CC1 ZINC000823524466 899071368 /nfs/dbraw/zinc/07/13/68/899071368.db2.gz XHESDIMLVUYYTI-UHFFFAOYSA-N 0 1 388.519 3.713 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000825122279 899992802 /nfs/dbraw/zinc/99/28/02/899992802.db2.gz ZHGWPSHAIYGZSM-LLVKDONJSA-N 0 1 375.266 3.890 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000825168186 900009235 /nfs/dbraw/zinc/00/92/35/900009235.db2.gz VQKHEIFTSMCYLC-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN COCCN(Cc1ccc(F)c(Cl)c1)Cc1cc(OC)c(OC)cc1O ZINC000825275327 900087344 /nfs/dbraw/zinc/08/73/44/900087344.db2.gz HOLQGMGMTNCPRN-UHFFFAOYSA-N 0 1 383.847 3.851 20 10 GHCDMN COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825338244 900101513 /nfs/dbraw/zinc/10/15/13/900101513.db2.gz VOHUABNGLZVOFQ-HNNXBMFYSA-N 0 1 377.282 3.532 20 10 GHCDMN CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213308 900608629 /nfs/dbraw/zinc/60/86/29/900608629.db2.gz WPKWZEGUTGQRHR-ZMOVQZPESA-N 0 1 395.459 3.793 20 10 GHCDMN CCc1cccc(Cl)c1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324831 900932742 /nfs/dbraw/zinc/93/27/42/900932742.db2.gz IWHXRYABWUDFNF-UHFFFAOYSA-N 0 1 385.939 3.894 20 10 GHCDMN Cc1c(O)cccc1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001144121129 901090390 /nfs/dbraw/zinc/09/03/90/901090390.db2.gz YSYHYHCXNRQIGR-UHFFFAOYSA-N 0 1 389.499 3.997 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000886749504 901253844 /nfs/dbraw/zinc/25/38/44/901253844.db2.gz UXPMUPWLTBJWSA-CQSZACIVSA-N 0 1 387.911 3.598 20 10 GHCDMN O=C(NCc1cc(Cl)ccc1O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000844855374 901360059 /nfs/dbraw/zinc/36/00/59/901360059.db2.gz JNZHMVCGSOXEDQ-MRXNPFEDSA-N 0 1 377.872 3.665 20 10 GHCDMN O=C(NCc1cc(Cl)ccc1O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000844896548 901477250 /nfs/dbraw/zinc/47/72/50/901477250.db2.gz CWPTYAFJECZCKN-UHFFFAOYSA-N 0 1 391.874 3.649 20 10 GHCDMN Oc1cc(O)c(CN2CCN(c3ccc(F)c(Cl)c3Cl)CC2)c(O)c1 ZINC001144519824 902296862 /nfs/dbraw/zinc/29/68/62/902296862.db2.gz AEBOVVLAEJVGKG-UHFFFAOYSA-N 0 1 387.238 3.572 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cc(O)c(OC)cc2Br)c1 ZINC000845972565 902552455 /nfs/dbraw/zinc/55/24/55/902552455.db2.gz SASOSKUQNIINNL-JTQLQIEISA-N 0 1 382.254 3.728 20 10 GHCDMN COc1cccc([C@@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1O ZINC000846161994 902731336 /nfs/dbraw/zinc/73/13/36/902731336.db2.gz DQNFWTLFZGHGLE-GFCCVEGCSA-N 0 1 390.281 3.970 20 10 GHCDMN C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N2CCCCCC2)cc1 ZINC000846214902 902790544 /nfs/dbraw/zinc/79/05/44/902790544.db2.gz VIEHBQUIWFQDEJ-SFHVURJKSA-N 0 1 376.504 3.926 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(Br)cc1[O-] ZINC000846215432 902791698 /nfs/dbraw/zinc/79/16/98/902791698.db2.gz KQYFYLJMVYWOLT-IAQYHMDHSA-N 0 1 377.282 3.582 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(O)c2F)C1 ZINC000578711710 904072509 /nfs/dbraw/zinc/07/25/09/904072509.db2.gz FWVQARWMPBZVPU-UHFFFAOYSA-N 0 1 381.451 3.891 20 10 GHCDMN Cc1cnc(-c2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)nc1 ZINC000578800071 904129003 /nfs/dbraw/zinc/12/90/03/904129003.db2.gz RSNWPMHLDKHHJJ-UHFFFAOYSA-N 0 1 388.475 3.605 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000186029794 907868255 /nfs/dbraw/zinc/86/82/55/907868255.db2.gz UKVRISHADISBLN-MRXNPFEDSA-N 0 1 396.512 3.936 20 10 GHCDMN COc1ccc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] ZINC001176364044 908079504 /nfs/dbraw/zinc/07/95/04/908079504.db2.gz ZKYVRBAZKAGJGP-UHFFFAOYSA-N 0 1 390.351 3.828 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC001178369950 909020453 /nfs/dbraw/zinc/02/04/53/909020453.db2.gz QUCJRHASWRMSBS-UHFFFAOYSA-N 0 1 391.187 3.737 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC001178972364 909340484 /nfs/dbraw/zinc/34/04/84/909340484.db2.gz SEUXLHLQVUHPHA-GFCCVEGCSA-N 0 1 384.345 3.606 20 10 GHCDMN COc1cc(C)c(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c(O)c1 ZINC001180177841 909976617 /nfs/dbraw/zinc/97/66/17/909976617.db2.gz GWNSHEPCTNNLRA-IBGZPJMESA-N 0 1 384.476 3.629 20 10 GHCDMN CC(C)OCCN1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC001180148024 909987037 /nfs/dbraw/zinc/98/70/37/909987037.db2.gz MIFYVJLRTDLQBN-UHFFFAOYSA-N 0 1 387.593 3.927 20 10 GHCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001180165844 910003040 /nfs/dbraw/zinc/00/30/40/910003040.db2.gz KGZKDMITDGJIJL-CQSZACIVSA-N 0 1 391.336 3.561 20 10 GHCDMN COc1ccc(N2CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)cc1 ZINC000303618587 915007589 /nfs/dbraw/zinc/00/75/89/915007589.db2.gz CUEMXJOYRDHFKA-QFIPXVFZSA-N 0 1 397.494 3.542 20 10 GHCDMN CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCCO1 ZINC000647608788 915340536 /nfs/dbraw/zinc/34/05/36/915340536.db2.gz VCTZYBQBXHGVBO-HSZRJFAPSA-N 0 1 397.563 3.681 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(CC(F)F)C2)C1 ZINC000649015844 915990746 /nfs/dbraw/zinc/99/07/46/915990746.db2.gz FZQGSTIAXYZWMB-UHFFFAOYSA-N 0 1 389.490 3.912 20 10 GHCDMN COC1CCN(c2ccc(CN(C)Cc3c(C)nc4sccn34)cc2)CC1 ZINC000294863777 917018522 /nfs/dbraw/zinc/01/85/22/917018522.db2.gz DKNLSXOGPGBQLR-UHFFFAOYSA-N 0 1 384.549 3.951 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1C(F)(F)F ZINC000775459444 918033242 /nfs/dbraw/zinc/03/32/42/918033242.db2.gz PUIGDKLLPBVBJD-AWEZNQCLSA-N 0 1 379.426 3.738 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837082 918314292 /nfs/dbraw/zinc/31/42/92/918314292.db2.gz BIIUTKJADZEJCP-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837082 918314303 /nfs/dbraw/zinc/31/43/03/918314303.db2.gz BIIUTKJADZEJCP-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(Br)ccc1[O-] ZINC000775500534 918427569 /nfs/dbraw/zinc/42/75/69/918427569.db2.gz QWAVXTWAKZTCOF-MRXNPFEDSA-N 0 1 383.330 3.988 20 10 GHCDMN CC[C@H]([NH2+][C@H](C)CN1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775509027 918440729 /nfs/dbraw/zinc/44/07/29/918440729.db2.gz YVWCVRYYBYHADC-APWZRJJASA-N 0 1 388.943 3.692 20 10 GHCDMN CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)ccc1[O-] ZINC000775503728 918461321 /nfs/dbraw/zinc/46/13/21/918461321.db2.gz NHCPHTUAFHKAIK-OAHLLOKOSA-N 0 1 383.330 3.844 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2[O-])N1CCC(F)(F)F ZINC001275892642 919283023 /nfs/dbraw/zinc/28/30/23/919283023.db2.gz HKVYJEYAANMRMY-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(Cl)cc2[O-])N1CCC(F)(F)F ZINC001275892642 919283035 /nfs/dbraw/zinc/28/30/35/919283035.db2.gz HKVYJEYAANMRMY-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000800851480 920527957 /nfs/dbraw/zinc/52/79/57/920527957.db2.gz BYEIXYAWMVXXNY-UHFFFAOYSA-N 0 1 390.549 3.904 20 10 GHCDMN CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(C)cc(Br)c1[O-] ZINC000802652694 922307536 /nfs/dbraw/zinc/30/75/36/922307536.db2.gz JRQIQNISNSYAMX-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000902755485 922469622 /nfs/dbraw/zinc/46/96/22/922469622.db2.gz PVSMAMYBAWSLON-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000412938674 928021170 /nfs/dbraw/zinc/02/11/70/928021170.db2.gz GIOSQMQFYCETQI-IEBWSBKVSA-N 0 1 377.488 3.673 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1CC(=O)OC ZINC000751996284 928538550 /nfs/dbraw/zinc/53/85/50/928538550.db2.gz BXZWZABMGNUDPZ-UHFFFAOYSA-N 0 1 392.293 3.892 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1CC(=O)OC ZINC000751996284 928538556 /nfs/dbraw/zinc/53/85/56/928538556.db2.gz BXZWZABMGNUDPZ-UHFFFAOYSA-N 0 1 392.293 3.892 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3nc4ccc(F)cc4s3)cc2)CC1 ZINC000758307240 930007132 /nfs/dbraw/zinc/00/71/32/930007132.db2.gz KQGZOLFRHPDAGL-UHFFFAOYSA-N 0 1 385.508 3.934 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000758530699 930072915 /nfs/dbraw/zinc/07/29/15/930072915.db2.gz VRWKULYDPACRDX-AEFFLSMTSA-N 0 1 380.257 3.550 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000781903977 931020338 /nfs/dbraw/zinc/02/03/38/931020338.db2.gz DDCWGXDFEOQYBB-ZDUSSCGKSA-N 0 1 399.329 3.810 20 10 GHCDMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000781912342 931025097 /nfs/dbraw/zinc/02/50/97/931025097.db2.gz PFPSWGSLBDOLHJ-QGZVFWFLSA-N 0 1 380.282 3.637 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000797135320 932197467 /nfs/dbraw/zinc/19/74/67/932197467.db2.gz XZPWKGYYPMOYNA-YTEVENLXSA-N 0 1 382.323 3.884 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000797606144 932341968 /nfs/dbraw/zinc/34/19/68/932341968.db2.gz ZYQPGLOAKDXNLZ-SUNYJGFJSA-N 0 1 384.314 3.622 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797604400 932342157 /nfs/dbraw/zinc/34/21/57/932342157.db2.gz FJTHDNFUJQPWIM-DEYYWGMASA-N 0 1 384.314 3.622 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H]2C[C@@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000828474366 935640423 /nfs/dbraw/zinc/64/04/23/935640423.db2.gz IHXMVNNXRUPONR-RHSMWYFYSA-N 0 1 375.900 3.561 20 10 GHCDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840997413 955584080 /nfs/dbraw/zinc/58/40/80/955584080.db2.gz DYTUPODUUPQMHB-OAHLLOKOSA-N 0 1 381.314 3.736 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636986 994302492 /nfs/dbraw/zinc/30/24/92/994302492.db2.gz ZUCRGHLUDMEWMJ-HSZRJFAPSA-N 0 1 377.440 3.782 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001227354611 1032385620 /nfs/dbraw/zinc/38/56/20/1032385620.db2.gz DSJXXSVHDMRBEJ-SFHVURJKSA-N 0 1 383.540 3.997 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(OC[C@@H](C)Oc2ccccc2)c1O ZINC001227495285 1032440690 /nfs/dbraw/zinc/44/06/90/1032440690.db2.gz OKYSFMLAXCWGCJ-GFCCVEGCSA-N 0 1 394.445 3.653 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C(C)=O)c2ccccc2)c1O ZINC001227495330 1032440757 /nfs/dbraw/zinc/44/07/57/1032440757.db2.gz PZWLSZPDWAGBMR-AWEZNQCLSA-N 0 1 392.429 3.516 20 10 GHCDMN CN(C)c1ccc(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)c2ccccc21 ZINC001204240678 1032684520 /nfs/dbraw/zinc/68/45/20/1032684520.db2.gz AVGFWFAMKIEPGZ-UHFFFAOYSA-N 0 1 379.426 3.549 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCC(=O)CC3(C)C)c1C2=O ZINC001227993903 1032730041 /nfs/dbraw/zinc/73/00/41/1032730041.db2.gz IABOGSSAACRDRN-GOSISDBHSA-N 0 1 394.423 3.708 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@H](C(=O)c3ccccc3)C2)c1O ZINC001204340094 1032780499 /nfs/dbraw/zinc/78/04/99/1032780499.db2.gz BUZGDOWIPCWXRA-AWEZNQCLSA-N 0 1 390.277 3.868 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc(Br)ccc1[O-] ZINC000834882853 1021609192 /nfs/dbraw/zinc/60/91/92/1021609192.db2.gz DHEHGZIYSOVCBS-MRXNPFEDSA-N 0 1 398.322 3.799 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000834903648 1021652564 /nfs/dbraw/zinc/65/25/64/1021652564.db2.gz JUHOWEKCGNZTME-ZFWWWQNUSA-N 0 1 384.904 3.722 20 10 GHCDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140464590 1021758578 /nfs/dbraw/zinc/75/85/78/1021758578.db2.gz WJKCOCVHXLVLIM-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001140464590 1021758592 /nfs/dbraw/zinc/75/85/92/1021758592.db2.gz WJKCOCVHXLVLIM-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)N1Cc1ccncc1 ZINC001140467161 1021763615 /nfs/dbraw/zinc/76/36/15/1021763615.db2.gz NLTUBFRKCQFQFC-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)N1Cc1ccncc1 ZINC001140467161 1021763633 /nfs/dbraw/zinc/76/36/33/1021763633.db2.gz NLTUBFRKCQFQFC-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN COC[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)Cc2cn(CC3CCCC3)nc21 ZINC001140581258 1022001466 /nfs/dbraw/zinc/00/14/66/1022001466.db2.gz NTQLZBLFJOIEJM-MRXNPFEDSA-N 0 1 391.462 3.803 20 10 GHCDMN COC[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)Cc2cn(CC3CCCC3)nc21 ZINC001140581258 1022001474 /nfs/dbraw/zinc/00/14/74/1022001474.db2.gz NTQLZBLFJOIEJM-MRXNPFEDSA-N 0 1 391.462 3.803 20 10 GHCDMN CN(CCc1cccc(C(F)(F)F)n1)Cc1ccc(N2CCOCC2)cc1F ZINC001140662071 1022201590 /nfs/dbraw/zinc/20/15/90/1022201590.db2.gz CYJNTIGBXQFYKF-UHFFFAOYSA-N 0 1 397.416 3.751 20 10 GHCDMN COc1ccc(N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)cc1F ZINC000754015337 1022426442 /nfs/dbraw/zinc/42/64/42/1022426442.db2.gz YHTNOCJYWBMHIZ-UHFFFAOYSA-N 0 1 388.483 3.865 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c(O)c1 ZINC001140857303 1022713513 /nfs/dbraw/zinc/71/35/13/1022713513.db2.gz UYDUHKVIIRELBA-UHFFFAOYSA-N 0 1 393.531 3.690 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(CCC(=O)N3CC3CC3)CC2)c(Cl)c1 ZINC001140924429 1022901159 /nfs/dbraw/zinc/90/11/59/1022901159.db2.gz OLIXQWCRZBYBFJ-UHFFFAOYSA-N 0 1 375.944 3.773 20 10 GHCDMN CN(Cc1cc2c(cc1O)OC[C@H]2O)Cc1cc(Br)ccc1Cl ZINC000754850686 1022933018 /nfs/dbraw/zinc/93/30/18/1022933018.db2.gz BJJCVEGRDWPJBV-MRXNPFEDSA-N 0 1 398.684 3.866 20 10 GHCDMN Cc1cc(CN2CCc3c(Cl)c(O)c(O)cc3[C@H](c3ccc(O)cc3)C2)[nH]n1 ZINC001203081553 1022964840 /nfs/dbraw/zinc/96/48/40/1022964840.db2.gz WQDPNPNGSSZSLS-SFHVURJKSA-N 0 1 399.878 3.679 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000836447396 1022978234 /nfs/dbraw/zinc/97/82/34/1022978234.db2.gz XSNJECIAVIBVCU-HSZRJFAPSA-N 0 1 394.515 3.764 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000756439918 1023650765 /nfs/dbraw/zinc/65/07/65/1023650765.db2.gz ASCBUKJFOKWQHA-GDBMZVCRSA-N 0 1 387.911 3.598 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756546960 1023708532 /nfs/dbraw/zinc/70/85/32/1023708532.db2.gz WVYGWOLKQHRQKD-KBPBESRZSA-N 0 1 393.453 3.973 20 10 GHCDMN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000756706487 1023782509 /nfs/dbraw/zinc/78/25/09/1023782509.db2.gz AEVBELHZCJXEAQ-NSHDSACASA-N 0 1 381.226 3.793 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(Br)cc1[O-] ZINC000756710869 1023783981 /nfs/dbraw/zinc/78/39/81/1023783981.db2.gz GDWDNFRZOJCLLH-XHDPSFHLSA-N 0 1 393.256 3.750 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000756762916 1023805325 /nfs/dbraw/zinc/80/53/25/1023805325.db2.gz SZRRSRMKJHYXAJ-LRDDRELGSA-N 0 1 381.314 3.739 20 10 GHCDMN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138125006 1024169152 /nfs/dbraw/zinc/16/91/52/1024169152.db2.gz GZAHXWYBGQUPCR-UHFFFAOYSA-N 0 1 396.418 3.574 20 10 GHCDMN O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138125903 1024171766 /nfs/dbraw/zinc/17/17/66/1024171766.db2.gz ZJALUULLWXKCMC-UHFFFAOYSA-N 0 1 397.475 3.841 20 10 GHCDMN C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000837486281 1024495455 /nfs/dbraw/zinc/49/54/55/1024495455.db2.gz WVKYFQRIFCQRNS-BXUZGUMPSA-N 0 1 378.822 3.715 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001205061253 1033231522 /nfs/dbraw/zinc/23/15/22/1033231522.db2.gz QEYAHTOMHLKQPL-AWEZNQCLSA-N 0 1 399.329 3.904 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001141374467 1024767279 /nfs/dbraw/zinc/76/72/79/1024767279.db2.gz JEYDQCOIHYTPSV-AWEZNQCLSA-N 0 1 383.673 3.856 20 10 GHCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377061 1024774727 /nfs/dbraw/zinc/77/47/27/1024774727.db2.gz HZEIVYFDTZWFLT-SNVBAGLBSA-N 0 1 376.678 3.583 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccccc3N3CCCC3)CC2)cc1 ZINC001138612150 1025103324 /nfs/dbraw/zinc/10/33/24/1025103324.db2.gz BIMIZRGLNRCQRI-UHFFFAOYSA-N 0 1 395.547 3.634 20 10 GHCDMN Brc1cc(CN2CCC3(CC2)OCCO3)ccc1N1CCCCC1 ZINC000838791699 1025368279 /nfs/dbraw/zinc/36/82/79/1025368279.db2.gz XJEDXMJNOLDANH-UHFFFAOYSA-N 0 1 395.341 3.778 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC001138884322 1025523752 /nfs/dbraw/zinc/52/37/52/1025523752.db2.gz OELBMUWTWRGSDT-UHFFFAOYSA-N 0 1 380.467 3.937 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001139134010 1025947747 /nfs/dbraw/zinc/94/77/47/1025947747.db2.gz VQTXWUWAXKRBLF-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001139134010 1025947754 /nfs/dbraw/zinc/94/77/54/1025947754.db2.gz VQTXWUWAXKRBLF-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001139134010 1025947759 /nfs/dbraw/zinc/94/77/59/1025947759.db2.gz VQTXWUWAXKRBLF-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN CCOC(=O)COc1ccccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001139135242 1025947786 /nfs/dbraw/zinc/94/77/86/1025947786.db2.gz XLZDBGZSTVDKLX-UHFFFAOYSA-N 0 1 382.504 3.861 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncccc3OC(C)C)CC2)cc1 ZINC001164335431 1026489332 /nfs/dbraw/zinc/48/93/32/1026489332.db2.gz DYGNLSRNAPGFLI-UHFFFAOYSA-N 0 1 384.524 3.502 20 10 GHCDMN CN(C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)C(=O)OC(C)(C)C ZINC001140103004 1026883918 /nfs/dbraw/zinc/88/39/18/1026883918.db2.gz DMFDLMDTWAPSAA-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN CN(C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)C(=O)OC(C)(C)C ZINC001140103004 1026883922 /nfs/dbraw/zinc/88/39/22/1026883922.db2.gz DMFDLMDTWAPSAA-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN COCCC[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203555638 1027431964 /nfs/dbraw/zinc/43/19/64/1027431964.db2.gz AYJSELJIFQQWMK-UHFFFAOYSA-N 0 1 378.513 3.630 20 10 GHCDMN COCCC[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001203555638 1027431978 /nfs/dbraw/zinc/43/19/78/1027431978.db2.gz AYJSELJIFQQWMK-UHFFFAOYSA-N 0 1 378.513 3.630 20 10 GHCDMN C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCCC1=O ZINC001203562235 1027434034 /nfs/dbraw/zinc/43/40/34/1027434034.db2.gz FZDGWVNZRCEQJK-VIFPVBQESA-N 0 1 391.103 3.718 20 10 GHCDMN Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(Cl)cc(Cl)c3[O-])O2)n1 ZINC001203575270 1027443696 /nfs/dbraw/zinc/44/36/96/1027443696.db2.gz IMDLOYBCJYQHCY-RBSFLKMASA-N 0 1 384.263 3.885 20 10 GHCDMN CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582203 1027450574 /nfs/dbraw/zinc/45/05/74/1027450574.db2.gz WKNJONMSUHQFCQ-CQSZACIVSA-N 0 1 389.323 3.595 20 10 GHCDMN COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)c(O)c1 ZINC001203629923 1027490237 /nfs/dbraw/zinc/49/02/37/1027490237.db2.gz NOQARCGSKLWNRI-QHCPKHFHSA-N 0 1 380.488 3.547 20 10 GHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203639352 1027497605 /nfs/dbraw/zinc/49/76/05/1027497605.db2.gz BTNQFBPPXNEGQY-HNNXBMFYSA-N 0 1 399.329 3.986 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203639352 1027497608 /nfs/dbraw/zinc/49/76/08/1027497608.db2.gz BTNQFBPPXNEGQY-HNNXBMFYSA-N 0 1 399.329 3.986 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CCO[C@@H]2C1 ZINC001203651109 1027507347 /nfs/dbraw/zinc/50/73/47/1027507347.db2.gz JAHDHRHMWYLEGF-RDTXWAMCSA-N 0 1 396.915 3.503 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CCO[C@@H]2C1 ZINC001203651109 1027507362 /nfs/dbraw/zinc/50/73/62/1027507362.db2.gz JAHDHRHMWYLEGF-RDTXWAMCSA-N 0 1 396.915 3.503 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203932206 1027726211 /nfs/dbraw/zinc/72/62/11/1027726211.db2.gz WEVQELNDEMSNNH-UHFFFAOYSA-N 0 1 387.531 3.873 20 10 GHCDMN Cc1nocc1/C=C1/SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000841495426 1028694299 /nfs/dbraw/zinc/69/42/99/1028694299.db2.gz HXTOWERWBHTQDT-WOJGMQOQSA-N 0 1 399.541 3.849 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000841745776 1028909140 /nfs/dbraw/zinc/90/91/40/1028909140.db2.gz AKDFEEGGYJWBNS-CQSZACIVSA-N 0 1 394.924 3.681 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cc(F)c(F)cc4[O-])C3)C2=O)c1 ZINC001142517123 1029019560 /nfs/dbraw/zinc/01/95/60/1029019560.db2.gz AZPPOPABZDUSEM-JOCHJYFZSA-N 0 1 386.442 3.603 20 10 GHCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000842642675 1029449343 /nfs/dbraw/zinc/44/93/43/1029449343.db2.gz KBICHMHBWGHZSO-IBGZPJMESA-N 0 1 392.377 3.792 20 10 GHCDMN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000842642675 1029449348 /nfs/dbraw/zinc/44/93/48/1029449348.db2.gz KBICHMHBWGHZSO-IBGZPJMESA-N 0 1 392.377 3.792 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(=O)NCc1cccs1 ZINC000842908049 1029677129 /nfs/dbraw/zinc/67/71/29/1029677129.db2.gz KITLIASRZKNNIG-NHYWBVRUSA-N 0 1 397.338 3.962 20 10 GHCDMN Cc1cnc(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)c(Br)c1 ZINC001216977956 1030048889 /nfs/dbraw/zinc/04/88/89/1030048889.db2.gz ZRJHUPXRTHDOHD-UHFFFAOYSA-N 0 1 382.601 3.934 20 10 GHCDMN CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1Cc1ccccc1 ZINC001223197738 1030480594 /nfs/dbraw/zinc/48/05/94/1030480594.db2.gz MIYZMAKYVQFAFQ-NRFANRHFSA-N 0 1 380.536 3.559 20 10 GHCDMN COc1ccc(Cl)c(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)c1 ZINC001217553478 1030488235 /nfs/dbraw/zinc/48/82/35/1030488235.db2.gz BGXPHDMPBXMGHO-UHFFFAOYSA-N 0 1 386.747 3.583 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@@]23CCN(CC(C)C)C3=O)c1O ZINC001276966535 1030976218 /nfs/dbraw/zinc/97/62/18/1030976218.db2.gz TZLBJWSMJYMXBD-IBGZPJMESA-N 0 1 395.341 3.686 20 10 GHCDMN O=C1c2ccc(OC[C@H]3CC[C@]4(CCCCO4)O3)cc2C(=O)c2ccc(O)cc21 ZINC001229192800 1033332262 /nfs/dbraw/zinc/33/22/62/1033332262.db2.gz UJIFFZVAKUBKHD-MWTRTKDXSA-N 0 1 394.423 3.622 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001461851134 1069792184 /nfs/dbraw/zinc/79/21/84/1069792184.db2.gz QXCRBAKCHKQFBO-JQWIXIFHSA-N 0 1 388.611 3.696 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC001461851134 1069792190 /nfs/dbraw/zinc/79/21/90/1069792190.db2.gz QXCRBAKCHKQFBO-JQWIXIFHSA-N 0 1 388.611 3.696 20 10 GHCDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001205883474 1033619390 /nfs/dbraw/zinc/61/93/90/1033619390.db2.gz WDEHASKEAVUGLC-JOCHJYFZSA-N 0 1 393.531 3.912 20 10 GHCDMN COc1cc(C)cc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC001461873946 1069818810 /nfs/dbraw/zinc/81/88/10/1069818810.db2.gz YFECIWPVAYTJBL-UHFFFAOYSA-N 0 1 381.375 3.671 20 10 GHCDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](CC(F)(F)F)O1 ZINC001206743329 1033966341 /nfs/dbraw/zinc/96/63/41/1033966341.db2.gz RFAJPQCZVOTGQD-GZMMTYOYSA-N 0 1 386.183 3.836 20 10 GHCDMN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231561167 1034713649 /nfs/dbraw/zinc/71/36/49/1034713649.db2.gz SCCUAQIVHZUABX-GOSISDBHSA-N 0 1 382.460 3.700 20 10 GHCDMN CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566224 1034715348 /nfs/dbraw/zinc/71/53/48/1034715348.db2.gz VMAFNIBGHHHLKN-IBGZPJMESA-N 0 1 385.460 3.680 20 10 GHCDMN CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566224 1034715358 /nfs/dbraw/zinc/71/53/58/1034715358.db2.gz VMAFNIBGHHHLKN-IBGZPJMESA-N 0 1 385.460 3.680 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)OCC3CCCCC3)CC2)cc1 ZINC001208061168 1034722890 /nfs/dbraw/zinc/72/28/90/1034722890.db2.gz HZZLBGRQFDJWLV-UHFFFAOYSA-N 0 1 389.540 3.514 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849689 1034940239 /nfs/dbraw/zinc/94/02/39/1034940239.db2.gz WOXYYRWTELWDTA-IAGOWNOFSA-N 0 1 391.556 3.886 20 10 GHCDMN COc1cccc(C(=O)C2CCN(Cc3ccc(N(C)C)cc3OC)CC2)c1 ZINC001231852176 1034942951 /nfs/dbraw/zinc/94/29/51/1034942951.db2.gz RFUSCQGPCMYBCA-UHFFFAOYSA-N 0 1 382.504 3.865 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001231852609 1034943476 /nfs/dbraw/zinc/94/34/76/1034943476.db2.gz YBJIJWLMSPIGRI-QFIPXVFZSA-N 0 1 389.540 3.737 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001231858406 1034947724 /nfs/dbraw/zinc/94/77/24/1034947724.db2.gz VXAFHVSPNKERPC-GOSISDBHSA-N 0 1 397.494 3.521 20 10 GHCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)cc1Cl ZINC001231869851 1034956336 /nfs/dbraw/zinc/95/63/36/1034956336.db2.gz XQRVBYYYZJABBA-FBBABVLZSA-N 0 1 388.895 3.950 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)cc1Cl ZINC001231869851 1034956340 /nfs/dbraw/zinc/95/63/40/1034956340.db2.gz XQRVBYYYZJABBA-FBBABVLZSA-N 0 1 388.895 3.950 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)cc1Cl ZINC001231869851 1034956344 /nfs/dbraw/zinc/95/63/44/1034956344.db2.gz XQRVBYYYZJABBA-FBBABVLZSA-N 0 1 388.895 3.950 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001231869382 1034956453 /nfs/dbraw/zinc/95/64/53/1034956453.db2.gz NOPFEUJRABLTBG-QFIPXVFZSA-N 0 1 399.922 3.906 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)cc1Cl ZINC001231869382 1034956456 /nfs/dbraw/zinc/95/64/56/1034956456.db2.gz NOPFEUJRABLTBG-QFIPXVFZSA-N 0 1 399.922 3.906 20 10 GHCDMN COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231871721 1034957153 /nfs/dbraw/zinc/95/71/53/1034957153.db2.gz PYCYLEXBMHPHPC-UHFFFAOYSA-N 0 1 388.895 3.757 20 10 GHCDMN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160599252 1035014269 /nfs/dbraw/zinc/01/42/69/1035014269.db2.gz HEZDYPVYZNWDNR-AUWJEWJLSA-N 0 1 385.272 3.554 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201804 1035158929 /nfs/dbraw/zinc/15/89/29/1035158929.db2.gz MSKWJOIXCBKHEN-QGZVFWFLSA-N 0 1 394.943 3.730 20 10 GHCDMN CCOc1ccc(N2CCN(C[C@H](CC)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001209472462 1035285361 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CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]2C1 ZINC001237949801 1042434955 /nfs/dbraw/zinc/43/49/55/1042434955.db2.gz NALKFWZBZKEFCB-JSGCOSHPSA-N 0 1 384.879 3.874 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCC[Si](C)(C)C)cc2F)CC1 ZINC001293086673 1044016309 /nfs/dbraw/zinc/01/63/09/1044016309.db2.gz BWLFVIPKKCPOOH-UHFFFAOYSA-N 0 1 379.596 3.702 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2ccc3c(c2)OCCO3)ccc1N1CCCCC1 ZINC000743629312 1045395917 /nfs/dbraw/zinc/39/59/17/1045395917.db2.gz NHCMVGCVYVPLMC-UHFFFAOYSA-N 0 1 383.448 3.646 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001298841259 1045963843 /nfs/dbraw/zinc/96/38/43/1045963843.db2.gz MFQIRQRMSSIPQY-UHFFFAOYSA-N 0 1 378.215 3.520 20 10 GHCDMN O=C([C@@H]1CC12C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C2)N1CCCC12CC2 ZINC001279975895 1048022949 /nfs/dbraw/zinc/02/29/49/1048022949.db2.gz KJATUWHRQSSHJS-AWEZNQCLSA-N 0 1 381.303 3.676 20 10 GHCDMN CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001280312589 1048178438 /nfs/dbraw/zinc/17/84/38/1048178438.db2.gz FHCANHVNMIAAIZ-CQSZACIVSA-N 0 1 395.341 3.672 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c([O-])cc(C)cc3Cl)C2)c1 ZINC001308296824 1049941351 /nfs/dbraw/zinc/94/13/51/1049941351.db2.gz MIVFOENFQJVLIF-AWEZNQCLSA-N 0 1 376.884 3.740 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001308983125 1050245577 /nfs/dbraw/zinc/24/55/77/1050245577.db2.gz LIVFOKPLHBFDPM-AWEZNQCLSA-N 0 1 388.468 3.640 20 10 GHCDMN CC[C@@H]1Oc2cc([C@H](C)NCc3cc(F)c(N(C)C)cc3F)ccc2NC1=O ZINC001329142000 1050732416 /nfs/dbraw/zinc/73/24/16/1050732416.db2.gz UESXRTDWROMDFE-BUXKBTBVSA-N 0 1 389.446 3.991 20 10 GHCDMN CSCCc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001310258516 1051254160 /nfs/dbraw/zinc/25/41/60/1051254160.db2.gz XBDFHKGQAOVEPJ-UHFFFAOYSA-N 0 1 398.576 3.666 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CCCC(C)C)cc2F)CC1 ZINC001311371999 1052069115 /nfs/dbraw/zinc/06/91/15/1052069115.db2.gz XSYXNHCUELXSAI-SFHVURJKSA-N 0 1 392.563 3.982 20 10 GHCDMN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(F)c1O ZINC001354764680 1056931723 /nfs/dbraw/zinc/93/17/23/1056931723.db2.gz DZRXZIHMDDXKBZ-LBPRGKRZSA-N 0 1 380.366 3.532 20 10 GHCDMN O=S(=O)(CCNCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001323477071 1056975132 /nfs/dbraw/zinc/97/51/32/1056975132.db2.gz ZHJWKQLSFDBZRE-UHFFFAOYSA-N 0 1 378.925 3.504 20 10 GHCDMN CN(C)c1ccc([C@H](CN[C@@H]2CCCn3ccnc32)NC(=O)OC(C)(C)C)cc1 ZINC000848538893 1057160544 /nfs/dbraw/zinc/16/05/44/1057160544.db2.gz GDZAAGPCMLNTJV-MOPGFXCFSA-N 0 1 399.539 3.640 20 10 GHCDMN CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2cccc(CC)c2O)CC1 ZINC000848913698 1057417107 /nfs/dbraw/zinc/41/71/07/1057417107.db2.gz BRHHUMOFPYOJIA-UHFFFAOYSA-N 0 1 395.499 3.983 20 10 GHCDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001338271445 1058486773 /nfs/dbraw/zinc/48/67/73/1058486773.db2.gz BRNZPCXTBXRJIN-IWMITWMQSA-N 0 1 384.499 3.697 20 10 GHCDMN C[C@H](c1ccncc1)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC001351327534 1064379733 /nfs/dbraw/zinc/37/97/33/1064379733.db2.gz CBGQJLUQZUVDDO-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001465383802 1065577821 /nfs/dbraw/zinc/57/78/21/1065577821.db2.gz ATZZLASLOBYJCD-SFHVURJKSA-N 0 1 396.535 3.937 20 10 GHCDMN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1cc(Cl)cc(Cl)c1O ZINC001468666810 1067813995 /nfs/dbraw/zinc/81/39/95/1067813995.db2.gz AXBDBMCFUAKUIP-GFCCVEGCSA-N 0 1 383.206 3.580 20 10 GHCDMN CCOc1ccc(O)c(CN2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1 ZINC000849478657 1067859261 /nfs/dbraw/zinc/85/92/61/1067859261.db2.gz IBIROOHDEABADN-JOCHJYFZSA-N 0 1 399.535 3.997 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2cnn(CC(F)(F)F)c2)ccc1N1CCCCC1 ZINC000763514476 1068074094 /nfs/dbraw/zinc/07/40/94/1068074094.db2.gz JVCQALWJQBHSQD-UHFFFAOYSA-N 0 1 397.401 3.634 20 10 GHCDMN Cc1ccc(CC2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC001473301070 1073911767 /nfs/dbraw/zinc/91/17/67/1073911767.db2.gz XWEZTUVWMILDLA-UHFFFAOYSA-N 0 1 379.548 3.632 20 10 GHCDMN COc1c(C)cnc(C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])c1C ZINC001474432850 1074403727 /nfs/dbraw/zinc/40/37/27/1074403727.db2.gz LZPINWIMPBGMMB-UHFFFAOYSA-N 0 1 383.261 3.946 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000052466541 834749900 /nfs/dbraw/zinc/74/99/00/834749900.db2.gz IMJCWLNZUWCDEV-LJQANCHMSA-N 0 1 381.520 3.851 20 10 GHCDMN CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000160244803 835233136 /nfs/dbraw/zinc/23/31/36/835233136.db2.gz TUTAOWXUFREPRC-UHFFFAOYSA-N 0 1 399.781 3.693 20 10 GHCDMN CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000160244803 835233140 /nfs/dbraw/zinc/23/31/40/835233140.db2.gz TUTAOWXUFREPRC-UHFFFAOYSA-N 0 1 399.781 3.693 20 10 GHCDMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255902498 837064921 /nfs/dbraw/zinc/06/49/21/837064921.db2.gz DYPGGTWWYCZPPG-SFHVURJKSA-N 0 1 393.491 3.841 20 10 GHCDMN C[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000134269597 839815867 /nfs/dbraw/zinc/81/58/67/839815867.db2.gz YMVLKNZQYBEAFF-BEFAXECRSA-N 0 1 387.911 3.715 20 10 GHCDMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1 ZINC000134269597 839815872 /nfs/dbraw/zinc/81/58/72/839815872.db2.gz YMVLKNZQYBEAFF-BEFAXECRSA-N 0 1 387.911 3.715 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001141369669 843190366 /nfs/dbraw/zinc/19/03/66/843190366.db2.gz WQXJCZLVWMPNFW-UHFFFAOYSA-N 0 1 385.733 3.726 20 10 GHCDMN CC[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000728945449 843803095 /nfs/dbraw/zinc/80/30/95/843803095.db2.gz UCEOWPOWGARORF-LPHOPBHVSA-N 0 1 397.519 3.598 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)ccc1[O-] ZINC000277169673 845016012 /nfs/dbraw/zinc/01/60/12/845016012.db2.gz RUDOVBHHAOVCSF-INIZCTEOSA-N 0 1 391.313 3.654 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc2ccccc2c1[O-] ZINC000273496444 847356195 /nfs/dbraw/zinc/35/61/95/847356195.db2.gz XVNKMXHCRXGCAH-IERDGZPVSA-N 0 1 375.472 3.782 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+](C)CCn2cccn2)c(=O)c1-c1ccccc1 ZINC000732185247 862126974 /nfs/dbraw/zinc/12/69/74/862126974.db2.gz OGDZKWMEPTWPHM-UHFFFAOYSA-N 0 1 389.455 3.803 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+](C)CCn2cccn2)c(=O)c1-c1ccccc1 ZINC000732185247 862126979 /nfs/dbraw/zinc/12/69/79/862126979.db2.gz OGDZKWMEPTWPHM-UHFFFAOYSA-N 0 1 389.455 3.803 20 10 GHCDMN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000732796894 862499065 /nfs/dbraw/zinc/49/90/65/862499065.db2.gz KYTOWCLGDSGBLP-MRXNPFEDSA-N 0 1 382.504 3.994 20 10 GHCDMN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000732796894 862499072 /nfs/dbraw/zinc/49/90/72/862499072.db2.gz KYTOWCLGDSGBLP-MRXNPFEDSA-N 0 1 382.504 3.994 20 10 GHCDMN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(Br)cc1[O-] ZINC000281468352 863048655 /nfs/dbraw/zinc/04/86/55/863048655.db2.gz FCFYOMPMARRAEZ-NSHDSACASA-N 0 1 382.327 3.931 20 10 GHCDMN CCCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1O ZINC000727830932 860283760 /nfs/dbraw/zinc/28/37/60/860283760.db2.gz WKDXXWZZACBPHJ-UHFFFAOYSA-N 0 1 392.883 3.914 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC(C)C)cc2F)CC1 ZINC000730133828 860872938 /nfs/dbraw/zinc/87/29/38/860872938.db2.gz HJMVNTQIGKKOAW-LJQANCHMSA-N 0 1 390.547 3.688 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000730132826 860873003 /nfs/dbraw/zinc/87/30/03/860873003.db2.gz GLVZIUMUVJGUHB-PXNSSMCTSA-N 0 1 390.547 3.688 20 10 GHCDMN Oc1ccccc1CN(Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000792767606 881684851 /nfs/dbraw/zinc/68/48/51/881684851.db2.gz ULTFZKHNRRIQHP-OAQYLSRUSA-N 0 1 381.451 3.898 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C(F)F ZINC000897076311 864422429 /nfs/dbraw/zinc/42/24/29/864422429.db2.gz YPHOWVHXECDQJQ-AWEZNQCLSA-N 0 1 395.837 3.773 20 10 GHCDMN COc1nc(C)cc(C)c1CN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000856811427 881763233 /nfs/dbraw/zinc/76/32/33/881763233.db2.gz IOYYUHCHRNUCSF-UHFFFAOYSA-N 0 1 383.536 3.954 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3C(C)C)cc2F)CC1 ZINC000735386946 864766335 /nfs/dbraw/zinc/76/63/35/864766335.db2.gz XEAPXXHDIGFMNP-FQEVSTJZSA-N 0 1 390.547 3.688 20 10 GHCDMN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NCc1ccccc1 ZINC000792931490 881821185 /nfs/dbraw/zinc/82/11/85/881821185.db2.gz VFAIQIFERULGPC-AWEZNQCLSA-N 0 1 379.426 3.566 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ccc(Br)cn3)cc2F)CC1 ZINC000301359146 865310501 /nfs/dbraw/zinc/31/05/01/865310501.db2.gz LSBFTTWAOYSQPT-UHFFFAOYSA-N 0 1 393.304 3.737 20 10 GHCDMN O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738146692 865495729 /nfs/dbraw/zinc/49/57/29/865495729.db2.gz YSFBQUGRVDLYRJ-UHFFFAOYSA-N 0 1 379.435 3.930 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cc1F ZINC000738414095 865538440 /nfs/dbraw/zinc/53/84/40/865538440.db2.gz CKWDQHLNNVGRAK-IERDGZPVSA-N 0 1 387.474 3.907 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ccc(OC(F)F)cn3)cc2F)CC1 ZINC000301941934 865620870 /nfs/dbraw/zinc/62/08/70/865620870.db2.gz WLTWQHOXGNCBGW-UHFFFAOYSA-N 0 1 380.414 3.576 20 10 GHCDMN C[C@H]1C[C@@H](c2ccccc2F)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743856843 868456619 /nfs/dbraw/zinc/45/66/19/868456619.db2.gz PVZDRSIDRDXGKW-JTSKRJEESA-N 0 1 383.511 3.933 20 10 GHCDMN CC[C@@H]1CCCCN1C(=O)CN(CC)Cc1cc(Br)ccc1O ZINC000743870909 868468138 /nfs/dbraw/zinc/46/81/38/868468138.db2.gz HAIMTXTXCFZJQD-MRXNPFEDSA-N 0 1 383.330 3.768 20 10 GHCDMN CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cc(Br)ccc1O ZINC000743874123 868471158 /nfs/dbraw/zinc/47/11/58/868471158.db2.gz SPOGQOBZOAWDOI-ZIAGYGMSSA-N 0 1 383.330 3.766 20 10 GHCDMN O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000114707963 870022036 /nfs/dbraw/zinc/02/20/36/870022036.db2.gz PDFFBNJYKUONLP-UHFFFAOYSA-N 0 1 393.361 3.633 20 10 GHCDMN CC[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(Br)ccc1O ZINC000775526875 870347796 /nfs/dbraw/zinc/34/77/96/870347796.db2.gz MSJQLCGKRQHODA-QGZVFWFLSA-N 0 1 387.281 3.976 20 10 GHCDMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766437452 870767404 /nfs/dbraw/zinc/76/74/04/870767404.db2.gz MKZGLASTAGOUMP-INIZCTEOSA-N 0 1 393.959 3.618 20 10 GHCDMN CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193624421 871194567 /nfs/dbraw/zinc/19/45/67/871194567.db2.gz DIJBTAFBHSCNFA-UHFFFAOYSA-N 0 1 384.215 3.763 20 10 GHCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000857758422 882519878 /nfs/dbraw/zinc/51/98/78/882519878.db2.gz GVIYQCQSTGHSPH-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Nc3ccnnc3)cc2)cc1 ZINC001194193125 871549429 /nfs/dbraw/zinc/54/94/29/871549429.db2.gz WPAZNDJMYJHOMM-QURGRASLSA-N 0 1 382.449 3.759 20 10 GHCDMN Cc1cc(CCNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001169944284 872032438 /nfs/dbraw/zinc/03/24/38/872032438.db2.gz QQESWHIKOVFSFQ-OYHNWAKOSA-N 0 1 376.504 3.842 20 10 GHCDMN CCOC(=O)c1cc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n[nH]1 ZINC001195256047 872285632 /nfs/dbraw/zinc/28/56/32/872285632.db2.gz ZXPSRJYNYDYZJD-QURGRASLSA-N 0 1 379.376 3.960 20 10 GHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000775657678 872424618 /nfs/dbraw/zinc/42/46/18/872424618.db2.gz GFXGYDDRAXYZKI-CYBMUJFWSA-N 0 1 389.801 3.936 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C(C)(C)C2(F)F)C1 ZINC000619392318 872591529 /nfs/dbraw/zinc/59/15/29/872591529.db2.gz XCQPUJKXDDUNHO-IBGZPJMESA-N 0 1 389.490 3.815 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2[C@H]2CCCO2)C1 ZINC000552412420 872604746 /nfs/dbraw/zinc/60/47/46/872604746.db2.gz XPMXWHVOMDKGEK-DHIUTWEWSA-N 0 1 395.547 3.578 20 10 GHCDMN Cc1noc(C)c1CN(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000767580587 872644245 /nfs/dbraw/zinc/64/42/45/872644245.db2.gz WFJHFUANBLPLJW-UHFFFAOYSA-N 0 1 394.519 3.671 20 10 GHCDMN O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775672608 872698708 /nfs/dbraw/zinc/69/87/08/872698708.db2.gz LKEJDKKFDTXWMM-UHFFFAOYSA-N 0 1 387.842 3.624 20 10 GHCDMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(Cl)c1[O-] ZINC000775705245 872999112 /nfs/dbraw/zinc/99/91/12/872999112.db2.gz HNGGVJFGPOMJRV-UHFFFAOYSA-N 0 1 386.801 3.813 20 10 GHCDMN CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(Cl)c1[O-] ZINC000775705245 872999123 /nfs/dbraw/zinc/99/91/23/872999123.db2.gz HNGGVJFGPOMJRV-UHFFFAOYSA-N 0 1 386.801 3.813 20 10 GHCDMN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000921231182 882744888 /nfs/dbraw/zinc/74/48/88/882744888.db2.gz NIDYPDXCAYATFT-SFHVURJKSA-N 0 1 383.536 3.803 20 10 GHCDMN CN(C)c1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1F ZINC000768883789 873645792 /nfs/dbraw/zinc/64/57/92/873645792.db2.gz ZWXOTYFATWLRTH-UHFFFAOYSA-N 0 1 388.462 3.817 20 10 GHCDMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197193 873646920 /nfs/dbraw/zinc/64/69/20/873646920.db2.gz ZOVIKGLDPFZDIO-XJUMHSELSA-N 0 1 384.505 3.865 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910825 873678190 /nfs/dbraw/zinc/67/81/90/873678190.db2.gz AEMGOLSVGSQULA-ZNNBYXKUSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910825 873678196 /nfs/dbraw/zinc/67/81/96/873678196.db2.gz AEMGOLSVGSQULA-ZNNBYXKUSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910825 873678203 /nfs/dbraw/zinc/67/82/03/873678203.db2.gz AEMGOLSVGSQULA-ZNNBYXKUSA-N 0 1 376.909 3.901 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209452 873891790 /nfs/dbraw/zinc/89/17/90/873891790.db2.gz MBHLECNHHUJMKZ-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209452 873891803 /nfs/dbraw/zinc/89/18/03/873891803.db2.gz MBHLECNHHUJMKZ-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCCC(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000769223338 873903206 /nfs/dbraw/zinc/90/32/06/873903206.db2.gz OMRZFPIVPLVRJN-UHFFFAOYSA-N 0 1 383.330 3.816 20 10 GHCDMN Fc1cc(CN2CCC[C@@H]2c2cccc3c2OCCO3)ccc1N1CCOCC1 ZINC000769313041 873958044 /nfs/dbraw/zinc/95/80/44/873958044.db2.gz RVYWRCXUDQOXHK-HXUWFJFHSA-N 0 1 398.478 3.771 20 10 GHCDMN Cc1ccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1 ZINC000769662362 874219588 /nfs/dbraw/zinc/21/95/88/874219588.db2.gz ADHXDLGJEDPCNR-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN COc1ccnc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000769664851 874222045 /nfs/dbraw/zinc/22/20/45/874222045.db2.gz MNWNMYYLKPSAII-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN CCOc1ccc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(O)c1 ZINC000770313595 874592478 /nfs/dbraw/zinc/59/24/78/874592478.db2.gz XQWQWAGRSDMKPR-GOSISDBHSA-N 0 1 394.471 3.932 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(N2CCOCC2)cc1 ZINC000858108667 882854666 /nfs/dbraw/zinc/85/46/66/882854666.db2.gz JMCAFNNWXAJBIK-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(N2CCOC2=O)cc1 ZINC000858110472 882856363 /nfs/dbraw/zinc/85/63/63/882856363.db2.gz STWRASFYVXEKKX-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN NC(=O)CCOc1ccc(NCc2cc(Cl)cc(Br)c2O)cc1 ZINC001199564585 875047186 /nfs/dbraw/zinc/04/71/86/875047186.db2.gz XSYYFPZXOPWFTK-UHFFFAOYSA-N 0 1 399.672 3.674 20 10 GHCDMN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000850484017 876956703 /nfs/dbraw/zinc/95/67/03/876956703.db2.gz APRIMUZUPKHFSC-GFCCVEGCSA-N 0 1 377.282 3.642 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3nnn(-c4ccccc4)c3C)C2)cc1 ZINC000850489442 876966001 /nfs/dbraw/zinc/96/60/01/876966001.db2.gz UQAWBIBVXWKTJV-AEFFLSMTSA-N 0 1 377.492 3.514 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850558327 877025417 /nfs/dbraw/zinc/02/54/17/877025417.db2.gz QFMGDKNXFCVWKN-IUODEOHRSA-N 0 1 383.330 3.842 20 10 GHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000093385554 912233020 /nfs/dbraw/zinc/23/30/20/912233020.db2.gz IORQWUJZXMXSRB-MRXNPFEDSA-N 0 1 393.256 3.531 20 10 GHCDMN CCOc1cccc(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1O ZINC000093480477 912292226 /nfs/dbraw/zinc/29/22/26/912292226.db2.gz VELQSCJNBQDJJY-SFHVURJKSA-N 0 1 384.476 3.711 20 10 GHCDMN CCOc1cccc(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1O ZINC000093480476 912293315 /nfs/dbraw/zinc/29/33/15/912293315.db2.gz VELQSCJNBQDJJY-GOSISDBHSA-N 0 1 384.476 3.711 20 10 GHCDMN COc1cc2ccnc(NCc3ccc(N4CCOCC4)cc3)c2cc1OC ZINC000853230045 878912901 /nfs/dbraw/zinc/91/29/01/878912901.db2.gz RCSMMXKPESYDAW-UHFFFAOYSA-N 0 1 379.460 3.701 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000790410805 879688385 /nfs/dbraw/zinc/68/83/85/879688385.db2.gz CSLCXIXTGYTKIG-UHFFFAOYSA-N 0 1 375.368 3.919 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3ccnn3-c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000790467614 879770098 /nfs/dbraw/zinc/77/00/98/879770098.db2.gz IDXOIVFWCWHHEC-QZTJIDSGSA-N 0 1 394.494 3.915 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170223 880960456 /nfs/dbraw/zinc/96/04/56/880960456.db2.gz QCYQTQWIONNHGW-NSHDSACASA-N 0 1 396.812 3.808 20 10 GHCDMN CCOc1cccc(CN(CCO)Cc2ccc(Br)s2)c1O ZINC000792196098 880982850 /nfs/dbraw/zinc/98/28/50/880982850.db2.gz IUYYIKGRSJMGKH-UHFFFAOYSA-N 0 1 386.311 3.609 20 10 GHCDMN CC1(C)C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC000783729495 883418279 /nfs/dbraw/zinc/41/82/79/883418279.db2.gz NLSCKBBZCFFAPZ-LBPRGKRZSA-N 0 1 393.119 3.510 20 10 GHCDMN CC1(C)C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC000783729495 883418287 /nfs/dbraw/zinc/41/82/87/883418287.db2.gz NLSCKBBZCFFAPZ-LBPRGKRZSA-N 0 1 393.119 3.510 20 10 GHCDMN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cc(Cl)cc(Cl)c1O ZINC000805158646 883635862 /nfs/dbraw/zinc/63/58/62/883635862.db2.gz WRQVELYTZADEIP-UHFFFAOYSA-N 0 1 384.219 3.649 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677416 912777231 /nfs/dbraw/zinc/77/72/31/912777231.db2.gz DFAFIOONYJLMAY-LSDHHAIUSA-N 0 1 387.476 3.560 20 10 GHCDMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000774677416 912777239 /nfs/dbraw/zinc/77/72/39/912777239.db2.gz DFAFIOONYJLMAY-LSDHHAIUSA-N 0 1 387.476 3.560 20 10 GHCDMN CC[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806144659 884403271 /nfs/dbraw/zinc/40/32/71/884403271.db2.gz SUXFNULHONJXML-SFHVURJKSA-N 0 1 395.975 3.713 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnn(-c2ccccn2)c1 ZINC000806295240 884574533 /nfs/dbraw/zinc/57/45/33/884574533.db2.gz NXODKSVXJNSZDL-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN CN(C)C(=O)c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000914796198 884805176 /nfs/dbraw/zinc/80/51/76/884805176.db2.gz WLZNTPKBXYRVII-UHFFFAOYSA-N 0 1 396.491 3.577 20 10 GHCDMN Cc1cc(C2CCN(C(=O)c3cccc(-n4c(C)cc(C=O)c4C)c3)CC2)n[nH]1 ZINC000860567683 884809794 /nfs/dbraw/zinc/80/97/94/884809794.db2.gz NIYFCUSMEUFQEU-UHFFFAOYSA-N 0 1 390.487 3.958 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccccc1C ZINC000914879406 885100051 /nfs/dbraw/zinc/10/00/51/885100051.db2.gz DYRAAZQFRWVPDG-OAQYLSRUSA-N 0 1 395.547 3.729 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(C)n1-c1cccc(C)c1 ZINC000914880240 885101734 /nfs/dbraw/zinc/10/17/34/885101734.db2.gz YUSZOYAVTDBYSU-JOCHJYFZSA-N 0 1 395.547 3.729 20 10 GHCDMN CC(C)n1ncc2c1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)CC2 ZINC000807170570 885276198 /nfs/dbraw/zinc/27/61/98/885276198.db2.gz FUIFFWHVVJWWQU-CQSZACIVSA-N 0 1 397.306 3.833 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnc2ccccc2c1 ZINC000807511332 885496150 /nfs/dbraw/zinc/49/61/50/885496150.db2.gz KXSFLQCVGCWEGZ-UHFFFAOYSA-N 0 1 390.226 3.502 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000807837257 885802412 /nfs/dbraw/zinc/80/24/12/885802412.db2.gz JAHWKGBQZNVRGA-KBPBESRZSA-N 0 1 394.254 3.890 20 10 GHCDMN COc1cc(OC)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000807836839 885802506 /nfs/dbraw/zinc/80/25/06/885802506.db2.gz QZBRLQPIVBJEML-UHFFFAOYSA-N 0 1 386.231 3.655 20 10 GHCDMN Cc1cc(C)n(-c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)n1 ZINC000807838141 885804054 /nfs/dbraw/zinc/80/40/54/885804054.db2.gz JGSUUPPXFFKZIY-UHFFFAOYSA-N 0 1 391.258 3.827 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncccc1OCC(F)(F)F ZINC000807838652 885804421 /nfs/dbraw/zinc/80/44/21/885804421.db2.gz MXRJHAWIRBJJOD-UHFFFAOYSA-N 0 1 395.164 3.965 20 10 GHCDMN Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(C)n1-c1ccccn1 ZINC000915189921 885960882 /nfs/dbraw/zinc/96/08/82/885960882.db2.gz DDGPQAAZENUEGQ-FQEVSTJZSA-N 0 1 380.467 3.661 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000808115875 886026774 /nfs/dbraw/zinc/02/67/74/886026774.db2.gz WQSLFYLJFFMNOE-UHFFFAOYSA-N 0 1 385.722 3.884 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000862251157 886253513 /nfs/dbraw/zinc/25/35/13/886253513.db2.gz WLAJSUGKYOHYBA-HNNXBMFYSA-N 0 1 384.314 3.705 20 10 GHCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1OC1CC1 ZINC000862365939 886324836 /nfs/dbraw/zinc/32/48/36/886324836.db2.gz HWRNLAQCNXZSDD-UHFFFAOYSA-N 0 1 378.266 3.994 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000119283527 886888257 /nfs/dbraw/zinc/88/82/57/886888257.db2.gz OAFTYPOIZDXPNR-SFHVURJKSA-N 0 1 375.472 3.667 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227228 888303229 /nfs/dbraw/zinc/30/32/29/888303229.db2.gz USYBMEHNHGCMOT-GUTXKFCHSA-N 0 1 379.444 3.808 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211064 888321150 /nfs/dbraw/zinc/32/11/50/888321150.db2.gz LCEVYBZCRTZETL-KRWDZBQOSA-N 0 1 396.409 3.777 20 10 GHCDMN CC(C)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn(-c2ccccc2)nn1 ZINC000154017999 889049873 /nfs/dbraw/zinc/04/98/73/889049873.db2.gz HSOWDYWSAAEJQQ-UHFFFAOYSA-N 0 1 387.827 3.559 20 10 GHCDMN O=C(Cc1cncn1Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000811528224 889681760 /nfs/dbraw/zinc/68/17/60/889681760.db2.gz AVLOAEWNVIRRTH-UHFFFAOYSA-N 0 1 390.270 3.803 20 10 GHCDMN CC(C)Sc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001132898994 889781477 /nfs/dbraw/zinc/78/14/77/889781477.db2.gz JHGNWWVIXAORMW-UHFFFAOYSA-N 0 1 383.561 3.869 20 10 GHCDMN CCc1ccc([C@@H](C)NC(=O)CN2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000917089706 891080854 /nfs/dbraw/zinc/08/08/54/891080854.db2.gz GLPHASCPNDRGOT-LJQANCHMSA-N 0 1 395.547 3.647 20 10 GHCDMN COc1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)cc1Cn1cccn1 ZINC000873139955 891482415 /nfs/dbraw/zinc/48/24/15/891482415.db2.gz HIXZBZQMEIQFIE-NRFANRHFSA-N 0 1 399.498 3.903 20 10 GHCDMN CN1CCO[C@H]([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000154327746 891622067 /nfs/dbraw/zinc/62/20/67/891622067.db2.gz WWZKCWFVXHBPLN-RBUKOAKNSA-N 0 1 381.303 3.861 20 10 GHCDMN CN(C)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1F ZINC000154356077 891743659 /nfs/dbraw/zinc/74/36/59/891743659.db2.gz CUKSVGGLQBFPGT-NHCUHLMSSA-N 0 1 391.918 3.707 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000813682303 891874730 /nfs/dbraw/zinc/87/47/30/891874730.db2.gz BBCOFYWWUCMEQS-AWEZNQCLSA-N 0 1 397.258 3.603 20 10 GHCDMN CC(C)(C)c1cc(CN2CCC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917435392 891994357 /nfs/dbraw/zinc/99/43/57/891994357.db2.gz KPAADYHWYYBUCB-KRWDZBQOSA-N 0 1 396.597 3.501 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C2CC2)cc1 ZINC000918057262 893069866 /nfs/dbraw/zinc/06/98/66/893069866.db2.gz IAHQGKRMSXWNRZ-QFIPXVFZSA-N 0 1 398.526 3.869 20 10 GHCDMN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(C)cc3O)CC2)cs1 ZINC000876778058 893326506 /nfs/dbraw/zinc/32/65/06/893326506.db2.gz XVNSJIOOSFKUBK-INIZCTEOSA-N 0 1 375.538 3.572 20 10 GHCDMN C[C@H](COC1CCCC1)CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000815045160 893361947 /nfs/dbraw/zinc/36/19/47/893361947.db2.gz PBBYXKOZLXKOFV-LLVKDONJSA-N 0 1 396.336 3.714 20 10 GHCDMN CCN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000815120359 893452201 /nfs/dbraw/zinc/45/22/01/893452201.db2.gz HPFFBSJDYANDLB-SFHVURJKSA-N 0 1 381.289 3.868 20 10 GHCDMN Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(C)n1-c1ccccn1 ZINC000918348716 893534058 /nfs/dbraw/zinc/53/40/58/893534058.db2.gz REOPSSSPWRMUKH-HXUWFJFHSA-N 0 1 380.467 3.661 20 10 GHCDMN CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688714 893764384 /nfs/dbraw/zinc/76/43/84/893764384.db2.gz VLVQQPYHGUCGGT-VQTJNVASSA-N 0 1 375.472 3.550 20 10 GHCDMN CO[C@@H]1C[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688714 893764390 /nfs/dbraw/zinc/76/43/90/893764390.db2.gz VLVQQPYHGUCGGT-VQTJNVASSA-N 0 1 375.472 3.550 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000826003591 893882411 /nfs/dbraw/zinc/88/24/11/893882411.db2.gz QBFPQQHLLULVIJ-UHFFFAOYSA-N 0 1 376.294 3.681 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049650 894560793 /nfs/dbraw/zinc/56/07/93/894560793.db2.gz NRCKZIZNSWQJIO-HIFRSBDPSA-N 0 1 380.916 3.765 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748049650 894560804 /nfs/dbraw/zinc/56/08/04/894560804.db2.gz NRCKZIZNSWQJIO-HIFRSBDPSA-N 0 1 380.916 3.765 20 10 GHCDMN CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816554354 894940223 /nfs/dbraw/zinc/94/02/23/894940223.db2.gz WOWOVXJBLMYZMD-UHFFFAOYSA-N 0 1 379.456 3.820 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913876 914025002 /nfs/dbraw/zinc/02/50/02/914025002.db2.gz SRKICJDRIPMAJE-RDJZCZTQSA-N 0 1 390.436 3.770 20 10 GHCDMN O=Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c(O)c2)o1 ZINC001136189989 896421393 /nfs/dbraw/zinc/42/13/93/896421393.db2.gz MCPJVJIQGBRSJQ-UHFFFAOYSA-N 0 1 390.439 3.995 20 10 GHCDMN COCC[NH+](CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000041584383 896457054 /nfs/dbraw/zinc/45/70/54/896457054.db2.gz ZXGLCNPHWZUDBE-UHFFFAOYSA-N 0 1 397.471 3.569 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc2cc(O)c(O)cc2s1 ZINC001136196823 896457214 /nfs/dbraw/zinc/45/72/14/896457214.db2.gz MRHVEAJDYWAUEK-MRXNPFEDSA-N 0 1 382.485 3.707 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000820133728 897183757 /nfs/dbraw/zinc/18/37/57/897183757.db2.gz PFHIVZNNXKYSHJ-LJQANCHMSA-N 0 1 395.547 3.728 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000774946270 914146573 /nfs/dbraw/zinc/14/65/73/914146573.db2.gz AKWOIQWEPVMVNH-UHFFFAOYSA-N 0 1 385.189 3.500 20 10 GHCDMN Cc1ccc(-c2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)nn1 ZINC000568968113 898247307 /nfs/dbraw/zinc/24/73/07/898247307.db2.gz REPYSLPRFVWEQP-UHFFFAOYSA-N 0 1 388.475 3.605 20 10 GHCDMN O=C(CC1CCN(CC(F)F)CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000822949984 898748928 /nfs/dbraw/zinc/74/89/28/898748928.db2.gz WBRYDUAFFKNLRC-UHFFFAOYSA-N 0 1 381.250 3.682 20 10 GHCDMN O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000289737385 914322690 /nfs/dbraw/zinc/32/26/90/914322690.db2.gz HFUYJCOWOVSTJZ-UHFFFAOYSA-N 0 1 399.878 3.704 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)nc1 ZINC000289747377 914327918 /nfs/dbraw/zinc/32/79/18/914327918.db2.gz MIUAYNLBHVEHNJ-CYBMUJFWSA-N 0 1 394.288 3.671 20 10 GHCDMN Cc1cccc2c1CCN2C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000824649588 899737018 /nfs/dbraw/zinc/73/70/18/899737018.db2.gz FYPPCQCIFNCCPD-HNNXBMFYSA-N 0 1 396.491 3.645 20 10 GHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1C ZINC000824815706 899823265 /nfs/dbraw/zinc/82/32/65/899823265.db2.gz XDAJBUWHJYRDNZ-RNCFNFMXSA-N 0 1 393.119 3.774 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000824905805 899869986 /nfs/dbraw/zinc/86/99/86/899869986.db2.gz DOSMUMHTQOBCFB-QGZVFWFLSA-N 0 1 384.314 3.705 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000825107361 899975662 /nfs/dbraw/zinc/97/56/62/899975662.db2.gz HVYHFBLTKCUWTG-UHFFFAOYSA-N 0 1 376.294 3.993 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000825332254 900098287 /nfs/dbraw/zinc/09/82/87/900098287.db2.gz URVOFBJBCKOADY-UHFFFAOYSA-N 0 1 395.809 3.802 20 10 GHCDMN COc1ccc(N(C)CCN(C)Cc2ccc(Oc3ccccc3)nn2)cc1 ZINC000844401413 900799191 /nfs/dbraw/zinc/79/91/91/900799191.db2.gz NMACWBFODVRZTR-UHFFFAOYSA-N 0 1 378.476 3.846 20 10 GHCDMN COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)c(F)cc1O)CC2 ZINC001144306432 901685899 /nfs/dbraw/zinc/68/58/99/901685899.db2.gz BLKXAAGOULJDQT-UHFFFAOYSA-N 0 1 394.240 3.639 20 10 GHCDMN O=C(NCC[NH+]1CCCC1)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000845992303 902571026 /nfs/dbraw/zinc/57/10/26/902571026.db2.gz IMLJKMAYUIMMGC-UHFFFAOYSA-N 0 1 391.874 3.622 20 10 GHCDMN Oc1ccccc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000129064186 902756047 /nfs/dbraw/zinc/75/60/47/902756047.db2.gz KWMARGXCPYKMSG-UHFFFAOYSA-N 0 1 388.515 3.764 20 10 GHCDMN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151230242 904089695 /nfs/dbraw/zinc/08/96/95/904089695.db2.gz WICPBYCFGBMALZ-GOSISDBHSA-N 0 1 398.526 3.898 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC000151521544 904149222 /nfs/dbraw/zinc/14/92/22/904149222.db2.gz XOLWAFHPAGVRKU-FQEVSTJZSA-N 0 1 388.458 3.929 20 10 GHCDMN C[C@@H]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)CN1C(=O)OC(C)(C)C ZINC001173078840 906177184 /nfs/dbraw/zinc/17/71/84/906177184.db2.gz UTLBZONBBMIURV-PBHICJAKSA-N 0 1 376.497 3.634 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C)n1-c1ccccn1 ZINC000179368105 906486061 /nfs/dbraw/zinc/48/60/61/906486061.db2.gz YBYOJXOLKRWOSH-QGZVFWFLSA-N 0 1 390.491 3.504 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620808 906802725 /nfs/dbraw/zinc/80/27/25/906802725.db2.gz ZFNVLTJUHORNCG-CQSZACIVSA-N 0 1 376.888 3.800 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620808 906802734 /nfs/dbraw/zinc/80/27/34/906802734.db2.gz ZFNVLTJUHORNCG-CQSZACIVSA-N 0 1 376.888 3.800 20 10 GHCDMN CC(=O)N1CCN(c2ccc(CNc3cc(C)nc4ccc(F)cc43)cc2)CC1 ZINC000191859089 907285971 /nfs/dbraw/zinc/28/59/71/907285971.db2.gz VBSFHRWQMHCMDA-UHFFFAOYSA-N 0 1 392.478 3.963 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185135839 907720869 /nfs/dbraw/zinc/72/08/69/907720869.db2.gz NDCWJBHMCCJHPG-CQSZACIVSA-N 0 1 396.940 3.724 20 10 GHCDMN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185177635 907726458 /nfs/dbraw/zinc/72/64/58/907726458.db2.gz LZDONVLRKWHIQC-GFCCVEGCSA-N 0 1 377.282 3.755 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 ZINC001176193686 907969720 /nfs/dbraw/zinc/96/97/20/907969720.db2.gz UPPAZKPGGFLTOG-UHFFFAOYSA-N 0 1 379.548 3.714 20 10 GHCDMN COc1ccc(N(c2ccc(N)cc2)c2ccc(N3CCN(C)CC3)nc2)cc1 ZINC001176659887 908225156 /nfs/dbraw/zinc/22/51/56/908225156.db2.gz DMLLJZPOSCIMNC-UHFFFAOYSA-N 0 1 389.503 3.894 20 10 GHCDMN COc1cc(C)c(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c(O)c1 ZINC001180177842 909976213 /nfs/dbraw/zinc/97/62/13/909976213.db2.gz GWNSHEPCTNNLRA-LJQANCHMSA-N 0 1 384.476 3.629 20 10 GHCDMN COc1cc(CN2CCN([C@H](C)c3cccnc3)CC2)c(O)c(C(C)(C)C)c1 ZINC001180233548 910034644 /nfs/dbraw/zinc/03/46/44/910034644.db2.gz FZHJJQXDAOSEGD-QGZVFWFLSA-N 0 1 383.536 3.972 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409125 910288159 /nfs/dbraw/zinc/28/81/59/910288159.db2.gz BYASHBCXIJZDND-OXJNMPFZSA-N 0 1 391.471 3.608 20 10 GHCDMN COc1ccc(C(=O)C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000271090691 910779831 /nfs/dbraw/zinc/77/98/31/910779831.db2.gz KTXONFYKEOZWFF-UHFFFAOYSA-N 0 1 385.460 3.513 20 10 GHCDMN CCOc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000248155416 911787212 /nfs/dbraw/zinc/78/72/12/911787212.db2.gz YYDRZHVIDBETLF-QHCPKHFHSA-N 0 1 395.547 3.947 20 10 GHCDMN CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000284759473 912018359 /nfs/dbraw/zinc/01/83/59/912018359.db2.gz OPMYPPULQCOVJU-YOEHRIQHSA-N 0 1 380.286 3.552 20 10 GHCDMN CCN(C(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000097476961 915585667 /nfs/dbraw/zinc/58/56/67/915585667.db2.gz NGBPZTNINMEOOW-LJQANCHMSA-N 0 1 381.520 3.649 20 10 GHCDMN CN(C)c1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000796472845 917601180 /nfs/dbraw/zinc/60/11/80/917601180.db2.gz YNBFVWRKPQWIRV-GOSISDBHSA-N 0 1 381.289 3.652 20 10 GHCDMN COC(=O)c1cc(CN(C)Cc2ccc(N3CCC(OC)CC3)cc2)oc1C ZINC000296639713 918526088 /nfs/dbraw/zinc/52/60/88/918526088.db2.gz WJTHUBXSPYIOHK-UHFFFAOYSA-N 0 1 386.492 3.622 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775511532 918529818 /nfs/dbraw/zinc/52/98/18/918529818.db2.gz HAHIACKLZJCHFM-QRWLVFNGSA-N 0 1 393.911 3.955 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2ccccn2)C1 ZINC000654131671 918815422 /nfs/dbraw/zinc/81/54/22/918815422.db2.gz WIQZRRCJNIUZLQ-GOSISDBHSA-N 0 1 390.531 3.550 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893381 919292304 /nfs/dbraw/zinc/29/23/04/919292304.db2.gz XGPQFPJBEMCLSX-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893381 919292316 /nfs/dbraw/zinc/29/23/16/919292316.db2.gz XGPQFPJBEMCLSX-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCSCC2 ZINC000827095869 924737870 /nfs/dbraw/zinc/73/78/70/924737870.db2.gz MRIZXHPVUDTBQW-IRXDYDNUSA-N 0 1 394.968 3.660 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000781619444 930909963 /nfs/dbraw/zinc/90/99/63/930909963.db2.gz PYMAKNZMZGLIBZ-IBGZPJMESA-N 0 1 379.548 3.938 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(Oc4cccnc4)nc3)cc2)CC1 ZINC000777521413 931335901 /nfs/dbraw/zinc/33/59/01/931335901.db2.gz SGKLLYQQYMKCCO-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000798085385 932522836 /nfs/dbraw/zinc/52/28/36/932522836.db2.gz QRTXNAQFWJXRKV-AWEZNQCLSA-N 0 1 383.275 3.812 20 10 GHCDMN COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC001123377032 935174098 /nfs/dbraw/zinc/17/40/98/935174098.db2.gz QQPKWOPPZLXEKF-UHFFFAOYSA-N 0 1 386.191 3.938 20 10 GHCDMN Cc1cc(C(=O)CN2CCN(C)CC23CCCCC3)c(C)n1-c1ccc(F)cn1 ZINC000828000215 935564413 /nfs/dbraw/zinc/56/44/13/935564413.db2.gz RPGIHFRGGXCJCH-UHFFFAOYSA-N 0 1 398.526 3.761 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]2CF)CC1 ZINC001137833095 935813098 /nfs/dbraw/zinc/81/30/98/935813098.db2.gz SGOZFJVQSNYWRR-UKRRQHHQSA-N 0 1 382.451 3.606 20 10 GHCDMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC001598399951 991688884 /nfs/dbraw/zinc/68/88/84/991688884.db2.gz RVCDWLZZTDPARX-UHFFFAOYSA-N 0 1 387.505 3.507 20 10 GHCDMN C[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC001598399951 991688891 /nfs/dbraw/zinc/68/88/91/991688891.db2.gz RVCDWLZZTDPARX-UHFFFAOYSA-N 0 1 387.505 3.507 20 10 GHCDMN Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC001221112110 1032292391 /nfs/dbraw/zinc/29/23/91/1032292391.db2.gz IMRBTPHYMMPAPH-UHFFFAOYSA-N 0 1 391.437 3.611 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)cc1Cl ZINC001277212710 1032435658 /nfs/dbraw/zinc/43/56/58/1032435658.db2.gz FNHBEAMEBOYLOW-UHFFFAOYSA-N 0 1 386.870 3.824 20 10 GHCDMN CCCC(=O)[C@@H](CCC)Oc1c(O)c(C(=O)OCC)sc1C(=O)OCC ZINC001227493468 1032439599 /nfs/dbraw/zinc/43/95/99/1032439599.db2.gz HDMLLVIKOWBACQ-GFCCVEGCSA-N 0 1 386.466 3.724 20 10 GHCDMN C[C@H]1OCC[C@H]1COc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660660 1032509322 /nfs/dbraw/zinc/50/93/22/1032509322.db2.gz BJZWAPLWBPQMJZ-ZJUUUORDSA-N 0 1 398.367 3.613 20 10 GHCDMN COC1=CC[C@@H](Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)CC1 ZINC001227993600 1032729459 /nfs/dbraw/zinc/72/94/59/1032729459.db2.gz CXERVYZIASZCPE-CQSZACIVSA-N 0 1 380.396 3.643 20 10 GHCDMN Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1-c1ccc(C)cc1 ZINC000778079338 1018189013 /nfs/dbraw/zinc/18/90/13/1018189013.db2.gz ZNLODADRABFKSH-UHFFFAOYSA-N 0 1 388.470 3.956 20 10 GHCDMN COc1cc(Br)cc(CN2CCC3(CC(F)(F)CO3)CC2)c1O ZINC001204337075 1032779061 /nfs/dbraw/zinc/77/90/61/1032779061.db2.gz BAURIHCSUAGUFJ-UHFFFAOYSA-N 0 1 392.240 3.554 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccnn1[C@H]1CCCOC1 ZINC000934675495 1018919237 /nfs/dbraw/zinc/91/92/37/1018919237.db2.gz DNMMONHNCGGGND-LBPRGKRZSA-N 0 1 385.251 3.569 20 10 GHCDMN CCOc1ccc2[nH]cc(CN3CCN(c4ccc(OC)cc4OC)CC3)c2c1 ZINC001140275517 1021301931 /nfs/dbraw/zinc/30/19/31/1021301931.db2.gz VHAMWBTXRDJGIN-UHFFFAOYSA-N 0 1 395.503 3.906 20 10 GHCDMN COCCC[N@H+](Cc1c([O-])cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342377 1021454829 /nfs/dbraw/zinc/45/48/29/1021454829.db2.gz GZBNLRMGHDCDES-HNNXBMFYSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1c([O-])cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342377 1021454834 /nfs/dbraw/zinc/45/48/34/1021454834.db2.gz GZBNLRMGHDCDES-HNNXBMFYSA-N 0 1 398.931 3.894 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCCc1ccccc1 ZINC000834898097 1021644180 /nfs/dbraw/zinc/64/41/80/1021644180.db2.gz ZDJGNLRDXIQPAX-KBPBESRZSA-N 0 1 391.309 3.553 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)ccc1[O-] ZINC000834899459 1021645686 /nfs/dbraw/zinc/64/56/86/1021645686.db2.gz QCQBNWFZNSEGDC-QIIPPGSGSA-N 0 1 394.313 3.849 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140462852 1021753128 /nfs/dbraw/zinc/75/31/28/1021753128.db2.gz MNSHBGYJUYSNIP-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140462852 1021753147 /nfs/dbraw/zinc/75/31/47/1021753147.db2.gz MNSHBGYJUYSNIP-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001140467902 1021764450 /nfs/dbraw/zinc/76/44/50/1021764450.db2.gz ZNDSKYYHNWPLRX-UHFFFAOYSA-N 0 1 376.884 3.506 20 10 GHCDMN CN(C)c1ccc(/C=C/CN2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000835025232 1021782666 /nfs/dbraw/zinc/78/26/66/1021782666.db2.gz GSCZHJGHKYWKID-HWKANZROSA-N 0 1 381.495 3.753 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)CC1 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NKCFLCVOEYLXHB-UHFFFAOYSA-N 0 1 385.467 3.707 20 10 GHCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001231567232 1034716921 /nfs/dbraw/zinc/71/69/21/1034716921.db2.gz AWEIIXOBCMVZPV-QGZVFWFLSA-N 0 1 381.350 3.683 20 10 GHCDMN Cc1nc(COC[C@@H]2Cn3ccnc3CN(Cc3cccc(C)c3O)C2)cs1 ZINC001231593088 1034747462 /nfs/dbraw/zinc/74/74/62/1034747462.db2.gz MXBJFBYBMFJDHG-KRWDZBQOSA-N 0 1 398.532 3.511 20 10 GHCDMN CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)cc(Br)c1[O-] ZINC001277541462 1034763266 /nfs/dbraw/zinc/76/32/66/1034763266.db2.gz YCKOKIJKPRAXID-IAOVAPTHSA-N 0 1 395.341 3.827 20 10 GHCDMN COc1cc(CN2CCC(C(=O)c3cnc4ccccc4c3)CC2)c(O)cc1O ZINC001231640914 1034798136 /nfs/dbraw/zinc/79/81/36/1034798136.db2.gz WRCJXSVSVQQZPO-UHFFFAOYSA-N 0 1 392.455 3.750 20 10 GHCDMN Cc1cc(C)c(CN2CCO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001231842441 1034936783 /nfs/dbraw/zinc/93/67/83/1034936783.db2.gz LYHLHAJNKALQBA-QFIPXVFZSA-N 0 1 390.524 3.611 20 10 GHCDMN 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CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622818 1042289529 /nfs/dbraw/zinc/28/95/29/1042289529.db2.gz BIPOYUFBCWOZMP-OAHLLOKOSA-N 0 1 375.868 3.755 20 10 GHCDMN COC[C@H]1Cn2ccnc2CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237646239 1042301959 /nfs/dbraw/zinc/30/19/59/1042301959.db2.gz PBQUGDHMONXFAE-MRXNPFEDSA-N 0 1 381.451 3.673 20 10 GHCDMN Cc1cc(Cl)cc(CN2CCN(c3ccc(Br)cn3)CC2)c1O ZINC001237681295 1042322807 /nfs/dbraw/zinc/32/28/07/1042322807.db2.gz MRYXJSSWUXLWNX-UHFFFAOYSA-N 0 1 396.716 3.834 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001237778204 1042364669 /nfs/dbraw/zinc/36/46/69/1042364669.db2.gz UNKUZYAWLJUKHT-AWEZNQCLSA-N 0 1 379.241 3.986 20 10 GHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(I)c1[O-] ZINC001237783271 1042366359 /nfs/dbraw/zinc/36/63/59/1042366359.db2.gz JLIKOAAORHWNHY-GFCCVEGCSA-N 0 1 379.241 3.944 20 10 GHCDMN O=C1CCN(Cc2cc(Br)cc(C(F)(F)F)c2O)CC[C@@H]1F ZINC001237783441 1042367311 /nfs/dbraw/zinc/36/73/11/1042367311.db2.gz HNNICIABGVBAKE-NSHDSACASA-N 0 1 384.167 3.677 20 10 GHCDMN CN1CC[C@@]2(C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001237801979 1042378331 /nfs/dbraw/zinc/37/83/31/1042378331.db2.gz YIHXNHFWAMFLSB-UTKZUKDTSA-N 0 1 388.870 3.633 20 10 GHCDMN CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)cc1 ZINC001237804696 1042379136 /nfs/dbraw/zinc/37/91/36/1042379136.db2.gz GERONUYNLQLHRE-UHFFFAOYSA-N 0 1 392.858 3.684 20 10 GHCDMN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001237941610 1042430973 /nfs/dbraw/zinc/43/09/73/1042430973.db2.gz ZFQLXOMWVLNTNP-CABCVRRESA-N 0 1 381.806 3.712 20 10 GHCDMN NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237948257 1042431774 /nfs/dbraw/zinc/43/17/74/1042431774.db2.gz BOOIDIOZVZGOBR-PKOBYXMFSA-N 0 1 376.859 3.808 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1cccc(Br)c1 ZINC001257863087 1044227988 /nfs/dbraw/zinc/22/79/88/1044227988.db2.gz GFXFHWJUVQMRQU-UHFFFAOYSA-N 0 1 396.184 3.974 20 10 GHCDMN CCn1ncnc1-c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001298841263 1045964234 /nfs/dbraw/zinc/96/42/34/1045964234.db2.gz MIPVEXJAAQAPSK-UHFFFAOYSA-N 0 1 391.258 3.907 20 10 GHCDMN Cc1cc(CC(=O)N[C@H](C)C2=NN(C)CC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001304545129 1047708378 /nfs/dbraw/zinc/70/83/78/1047708378.db2.gz MUOWAMAUPJYGEW-CYBMUJFWSA-N 0 1 386.883 3.607 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2)cc1Cl ZINC001279433109 1047805026 /nfs/dbraw/zinc/80/50/26/1047805026.db2.gz MSOMRRDXQHFGME-FQEVSTJZSA-N 0 1 379.932 3.760 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2)cc1Cl ZINC001279433109 1047805032 /nfs/dbraw/zinc/80/50/32/1047805032.db2.gz MSOMRRDXQHFGME-FQEVSTJZSA-N 0 1 379.932 3.760 20 10 GHCDMN O=C(c1ccc(O)c([O-])c1Cl)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001279524614 1047832798 /nfs/dbraw/zinc/83/27/98/1047832798.db2.gz OQSFWXQPCQZTJJ-UHFFFAOYSA-N 0 1 378.900 3.622 20 10 GHCDMN O=C(c1ccc(O)c([O-])c1Cl)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279524614 1047832806 /nfs/dbraw/zinc/83/28/06/1047832806.db2.gz OQSFWXQPCQZTJJ-UHFFFAOYSA-N 0 1 378.900 3.622 20 10 GHCDMN O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C3)[nH]1 ZINC001279665816 1047905915 /nfs/dbraw/zinc/90/59/15/1047905915.db2.gz YHVXMIIUQHVIND-DOMZBBRYSA-N 0 1 394.302 3.506 20 10 GHCDMN Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C3)c1C ZINC001279971932 1048020793 /nfs/dbraw/zinc/02/07/93/1048020793.db2.gz JTFWJHRHXMKXFC-CYBMUJFWSA-N 0 1 396.274 3.764 20 10 GHCDMN O=C([C@H]1CCSC12CN(Cc1cc(Cl)ccc1O)C2)N1CCCC12CC2 ZINC001279983224 1048026711 /nfs/dbraw/zinc/02/67/11/1048026711.db2.gz HKVYGRSBSYZEKH-MRXNPFEDSA-N 0 1 392.952 3.508 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000728696744 1048243702 /nfs/dbraw/zinc/24/37/02/1048243702.db2.gz BSGORHHMWKZIRP-SFQUDFHCSA-N 0 1 391.408 3.785 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000728699769 1048243766 /nfs/dbraw/zinc/24/37/66/1048243766.db2.gz WATZDNBHPRGTEH-FOWTUZBSSA-N 0 1 391.408 3.785 20 10 GHCDMN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734851984 1049811151 /nfs/dbraw/zinc/81/11/51/1049811151.db2.gz MWKUCBUZZNEMJR-SFHVURJKSA-N 0 1 381.480 3.851 20 10 GHCDMN CN(C)c1ccc(/C=C/CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC001308417414 1049971587 /nfs/dbraw/zinc/97/15/87/1049971587.db2.gz JJKFTJFIHVSDEV-RTLBZRNLSA-N 0 1 393.300 3.991 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001308737591 1050076445 /nfs/dbraw/zinc/07/64/45/1050076445.db2.gz JKQHORVLADFKNH-CYBMUJFWSA-N 0 1 399.235 3.871 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001308737591 1050076451 /nfs/dbraw/zinc/07/64/51/1050076451.db2.gz JKQHORVLADFKNH-CYBMUJFWSA-N 0 1 399.235 3.871 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC001329141922 1050732325 /nfs/dbraw/zinc/73/23/25/1050732325.db2.gz SOVOSFCKQDPWAE-LLVKDONJSA-N 0 1 382.689 3.572 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1 ZINC001309560286 1050813383 /nfs/dbraw/zinc/81/33/83/1050813383.db2.gz OAGGMYSRGNCFFW-UHFFFAOYSA-N 0 1 390.288 3.803 20 10 GHCDMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2c(O)ccc(Cl)c2F)c1OC ZINC000756336693 1051036849 /nfs/dbraw/zinc/03/68/49/1051036849.db2.gz GHHUSXLTKXLSLH-ZDUSSCGKSA-N 0 1 383.803 3.508 20 10 GHCDMN COC(=O)[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)Cc2ccccc21 ZINC001335128081 1052039990 /nfs/dbraw/zinc/03/99/90/1052039990.db2.gz QBNGVSWBSUWRKK-HSZRJFAPSA-N 0 1 394.515 3.574 20 10 GHCDMN CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC001335435053 1052098599 /nfs/dbraw/zinc/09/85/99/1052098599.db2.gz XMKILIKHDUMYGO-UHFFFAOYSA-N 0 1 398.532 3.646 20 10 GHCDMN C[NH+]1CCN(c2ccc(/C=C/c3cc(C(=O)[O-])c4ccccc4n3)cc2F)CC1 ZINC001317946420 1054322901 /nfs/dbraw/zinc/32/29/01/1054322901.db2.gz NFHXEYBWSJIRCZ-SOFGYWHQSA-N 0 1 391.446 3.994 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C=C3CCC(C)(C)CC3)CC2)cc1 ZINC001356065759 1057374693 /nfs/dbraw/zinc/37/46/93/1057374693.db2.gz QPGVFQQTZWIQLM-UHFFFAOYSA-N 0 1 399.579 3.850 20 10 GHCDMN CCc1cccc(CNCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1O ZINC000848892748 1057400267 /nfs/dbraw/zinc/40/02/67/1057400267.db2.gz GGDMFWWKCLPSOI-UHFFFAOYSA-N 0 1 384.789 3.959 20 10 GHCDMN COc1cc(C)cc(CN[C@H](CCO)c2ccccc2Br)c1O ZINC001338250637 1058476365 /nfs/dbraw/zinc/47/63/65/1058476365.db2.gz RRJQWNFQRHTEDK-MRXNPFEDSA-N 0 1 380.282 3.685 20 10 GHCDMN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001346168750 1061422171 /nfs/dbraw/zinc/42/21/71/1061422171.db2.gz OQDFDSBWPVCDHY-VIFPVBQESA-N 0 1 377.268 3.619 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000775161276 1061677948 /nfs/dbraw/zinc/67/79/48/1061677948.db2.gz YJLNFAYTQWKFIA-DOMZBBRYSA-N 0 1 399.329 3.808 20 10 GHCDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001454401219 1061756393 /nfs/dbraw/zinc/75/63/93/1061756393.db2.gz HRMUVOLFCDRODK-WMLDXEAASA-N 0 1 396.512 3.953 20 10 GHCDMN Cc1cc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)c(C)n1-c1cccc(C)c1 ZINC001455784719 1062289694 /nfs/dbraw/zinc/28/96/94/1062289694.db2.gz UFYGUBHMCSPCNJ-NHCUHLMSSA-N 0 1 383.561 3.712 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)cc2F)CC1 ZINC001456127488 1062498123 /nfs/dbraw/zinc/49/81/23/1062498123.db2.gz JAKAEHBTQLMXJA-JENIJYKNSA-N 0 1 375.532 3.656 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@@H]3C3CC3)cc2F)CC1 ZINC001456131771 1062502410 /nfs/dbraw/zinc/50/24/10/1062502410.db2.gz WQEIPZGSMKVTBU-UXHICEINSA-N 0 1 387.543 3.800 20 10 GHCDMN CCc1ccc([C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 ZINC001460063289 1064391308 /nfs/dbraw/zinc/39/13/08/1064391308.db2.gz FTOPRSHXQCWZAH-QFIPXVFZSA-N 0 1 379.548 3.811 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c(O)c3)cc2F)C[C@H](C)O1 ZINC001464307059 1064950026 /nfs/dbraw/zinc/95/00/26/1064950026.db2.gz AHCQLOVNLDABMF-BETUJISGSA-N 0 1 392.858 3.728 20 10 GHCDMN C/C(=C\c1ccncc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847591399 1065700878 /nfs/dbraw/zinc/70/08/78/1065700878.db2.gz VJBIKFUQMRAIRO-LSSBLYJVSA-N 0 1 385.895 3.625 20 10 GHCDMN CSCc1n[nH]c(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 ZINC001471915031 1073257573 /nfs/dbraw/zinc/25/75/73/1073257573.db2.gz AAQKSLIIOKRXFY-UHFFFAOYSA-N 0 1 389.912 3.659 20 10 GHCDMN CSCc1nnc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)[nH]1 ZINC001471915031 1073257577 /nfs/dbraw/zinc/25/75/77/1073257577.db2.gz AAQKSLIIOKRXFY-UHFFFAOYSA-N 0 1 389.912 3.659 20 10 GHCDMN CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001479185749 1079141313 /nfs/dbraw/zinc/14/13/13/1079141313.db2.gz SZNJRKHSFYDRFZ-UHFFFAOYSA-N 0 1 380.536 3.559 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1Br ZINC001474032633 1074242143 /nfs/dbraw/zinc/24/21/43/1074242143.db2.gz OHUOXRUSFYAJNX-UHFFFAOYSA-N 0 1 390.325 3.822 20 10 GHCDMN COC(=O)[C@H](NCc1ccc(F)c(F)c1O)c1ccc(C(F)(F)F)cc1 ZINC001474737833 1074539926 /nfs/dbraw/zinc/53/99/26/1074539926.db2.gz XEPKMDWZKNKPTA-CQSZACIVSA-N 0 1 375.293 3.693 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[C@@H]1NC(=O)[O-] ZINC000739185256 603398724 /nfs/dbraw/zinc/39/87/24/603398724.db2.gz OTSSNSPVSRURQE-ZBEGNZNMSA-N 0 1 393.281 3.786 20 10 GHCDMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1C1CC1 ZINC000255573730 834790054 /nfs/dbraw/zinc/79/00/54/834790054.db2.gz GEHSXLPMLSIBOO-HNAYVOBHSA-N 0 1 391.475 3.782 20 10 GHCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cnc[nH]2)cc1 ZINC000193215555 835832067 /nfs/dbraw/zinc/83/20/67/835832067.db2.gz VFWIYOYIHKWTGE-UHFFFAOYSA-N 0 1 378.476 3.650 20 10 GHCDMN CCOCc1cc(CNCC(=O)Nc2cccc3cccnc32)ccc1OC ZINC000725851356 836463654 /nfs/dbraw/zinc/46/36/54/836463654.db2.gz QRVTZJXXUNCKLP-UHFFFAOYSA-N 0 1 379.460 3.508 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)CC1 ZINC000255880915 837213353 /nfs/dbraw/zinc/21/33/53/837213353.db2.gz VMQXYYGZMHCQHV-GXDHUFHOSA-N 0 1 397.363 3.745 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(C[C@@H]3CCCO3)no2)C1 ZINC000683450485 837358762 /nfs/dbraw/zinc/35/87/62/837358762.db2.gz HRWIEFVPMXLWSJ-INIZCTEOSA-N 0 1 380.492 3.561 20 10 GHCDMN Cc1onc(-c2ccncc2)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000377088279 838975351 /nfs/dbraw/zinc/97/53/51/838975351.db2.gz HQNGVNRWRMHRCS-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)C1CCCC1 ZINC000378530787 839288293 /nfs/dbraw/zinc/28/82/93/839288293.db2.gz FXJCDNPZWSAOGV-OAHLLOKOSA-N 0 1 386.471 3.763 20 10 GHCDMN Cc1ccc2nc(Cl)nc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC001167423247 839891817 /nfs/dbraw/zinc/89/18/17/839891817.db2.gz SKJMDWDVKMYPRH-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN CCSCc1cnc(Cl)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167427072 839931236 /nfs/dbraw/zinc/93/12/36/839931236.db2.gz WKTUDRCYZXKVDT-UHFFFAOYSA-N 0 1 391.972 3.747 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(C(F)(F)F)c([N+](=O)[O-])c3)cc2)CC1 ZINC001167434479 840176024 /nfs/dbraw/zinc/17/60/24/840176024.db2.gz LZALVBHDGJLKEW-UHFFFAOYSA-N 0 1 394.397 3.978 20 10 GHCDMN COc1cc(OC(F)(F)F)ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167437689 840378349 /nfs/dbraw/zinc/37/83/49/840378349.db2.gz ZHROJNUZMCAERB-UHFFFAOYSA-N 0 1 395.425 3.958 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000471649186 841289170 /nfs/dbraw/zinc/28/91/70/841289170.db2.gz OSMUDRSTUPUMLM-NRFANRHFSA-N 0 1 382.483 3.728 20 10 GHCDMN Cc1ncsc1CN1CC2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279108788 842127450 /nfs/dbraw/zinc/12/74/50/842127450.db2.gz WXUDNWMMRSMVJM-UHFFFAOYSA-N 0 1 379.476 3.533 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000472140975 846131857 /nfs/dbraw/zinc/13/18/57/846131857.db2.gz WIWRJYCKHJAMCI-UHFFFAOYSA-N 0 1 382.483 3.687 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Br)ccc1[O-] ZINC000319626105 846511727 /nfs/dbraw/zinc/51/17/27/846511727.db2.gz BGGVSLXXBHNGDK-INIZCTEOSA-N 0 1 381.314 3.596 20 10 GHCDMN COCC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000272654238 847136655 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CCN1CCN(c2ccc(CNC(=S)N[C@H]3CCCC[C@@H]3C)cc2F)CC1 ZINC000730157387 860902377 /nfs/dbraw/zinc/90/23/77/860902377.db2.gz RUQLXGWOYNSYRF-LPHOPBHVSA-N 0 1 392.588 3.510 20 10 GHCDMN [O-]c1c(I)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001237789324 864349484 /nfs/dbraw/zinc/34/94/84/864349484.db2.gz RZRVLLZUMBWXSJ-UHFFFAOYSA-N 0 1 387.261 3.530 20 10 GHCDMN CCN1CCN(c2ccc(CNCc3occc3Br)cc2F)CC1 ZINC000735321324 864723574 /nfs/dbraw/zinc/72/35/74/864723574.db2.gz NWTSOULMQBSKQT-UHFFFAOYSA-N 0 1 396.304 3.613 20 10 GHCDMN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCc2ccccc2C1 ZINC000736069098 865122259 /nfs/dbraw/zinc/12/22/59/865122259.db2.gz LZGWTASIFISWLK-SFHVURJKSA-N 0 1 377.532 3.690 20 10 GHCDMN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H](c1ccco1)N1CCCC1 ZINC000173957088 865251211 /nfs/dbraw/zinc/25/12/11/865251211.db2.gz PDMPNQLIWUCCGA-LJQANCHMSA-N 0 1 383.492 3.500 20 10 GHCDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncc1[N+](=O)[O-] ZINC000301442696 865363667 /nfs/dbraw/zinc/36/36/67/865363667.db2.gz PFZMCZFWTTWOFE-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ncc1[N+](=O)[O-] ZINC000301442696 865363682 /nfs/dbraw/zinc/36/36/82/865363682.db2.gz PFZMCZFWTTWOFE-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ncc1[N+](=O)[O-] ZINC000301442696 865363699 /nfs/dbraw/zinc/36/36/99/865363699.db2.gz PFZMCZFWTTWOFE-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN O=C1/C(=C\c2ccccn2)SC(=S)N1C1CCN(Cc2ccccc2)CC1 ZINC000063823794 865442021 /nfs/dbraw/zinc/44/20/21/865442021.db2.gz FDJZWSWFYWTGSM-XMHGGMMESA-N 0 1 395.553 3.947 20 10 GHCDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000738058847 865489945 /nfs/dbraw/zinc/48/99/45/865489945.db2.gz WDJJGKLJOYZLLS-VGSWGCGISA-N 0 1 388.552 3.828 20 10 GHCDMN Cc1cc(O)c(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cc1C ZINC000738109128 865493057 /nfs/dbraw/zinc/49/30/57/865493057.db2.gz HXCXOQCXQDCBJA-INIZCTEOSA-N 0 1 398.532 3.999 20 10 GHCDMN COc1ccc(N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000302169284 865745619 /nfs/dbraw/zinc/74/56/19/865745619.db2.gz LQVQVMMUHWKWDI-UHFFFAOYSA-N 0 1 378.432 3.787 20 10 GHCDMN CN(C)c1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000793067123 881908056 /nfs/dbraw/zinc/90/80/56/881908056.db2.gz TYBRQVGZUNHTDI-HFJWLAOPSA-N 0 1 384.467 3.981 20 10 GHCDMN CN(C)c1ccc(CNCc2nc(-c3ccc(F)cc3)n[nH]2)c(C(F)(F)F)c1 ZINC000793060615 881925916 /nfs/dbraw/zinc/92/59/16/881925916.db2.gz XDJITZIECAMIPF-UHFFFAOYSA-N 0 1 393.388 3.985 20 10 GHCDMN COc1ccccc1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303138605 866099728 /nfs/dbraw/zinc/09/97/28/866099728.db2.gz DGZSWRRDADVTPN-NRFANRHFSA-N 0 1 381.520 3.557 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c2c1 ZINC000742159663 867111763 /nfs/dbraw/zinc/11/17/63/867111763.db2.gz RSRCKFLFRKVKEV-HNNXBMFYSA-N 0 1 386.492 3.995 20 10 GHCDMN COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3ccccc3O)CCN2C2CC2)c1 ZINC000183766402 867783630 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C[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1ccc(Br)cc1O ZINC000857875369 882605551 /nfs/dbraw/zinc/60/55/51/882605551.db2.gz LPAYJALPEDUCBQ-DIFFPNOSSA-N 0 1 375.266 3.519 20 10 GHCDMN O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775652504 872387511 /nfs/dbraw/zinc/38/75/11/872387511.db2.gz MBXKGUWLNVWAPZ-UHFFFAOYSA-N 0 1 379.287 3.586 20 10 GHCDMN COc1ccccc1CN(Cc1cc(OC)c(OC)cc1O)C[C@H]1CCCO1 ZINC000775656421 872399084 /nfs/dbraw/zinc/39/90/84/872399084.db2.gz GPSSDJOVIRCGBF-GOSISDBHSA-N 0 1 387.476 3.599 20 10 GHCDMN O=C(c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1)N1CCc2cccc(O)c2C1 ZINC001195943472 872743914 /nfs/dbraw/zinc/74/39/14/872743914.db2.gz QIEFSYVUMPLADY-UHFFFAOYSA-N 0 1 387.361 4.000 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C(F)F)c2)C1 ZINC000767758594 872815445 /nfs/dbraw/zinc/81/54/45/872815445.db2.gz QBVSKACIOBERND-UHFFFAOYSA-N 0 1 387.434 3.638 20 10 GHCDMN C[C@@H]1[C@H](C)OCCN1Cc1cc(Br)cc(Br)c1O ZINC000775699256 872954570 /nfs/dbraw/zinc/95/45/70/872954570.db2.gz BYDLZYVOBUHFKC-BDAKNGLRSA-N 0 1 379.092 3.526 20 10 GHCDMN CC1(C)C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000775710232 873040873 /nfs/dbraw/zinc/04/08/73/873040873.db2.gz KIWJUXVPRKXWTJ-UHFFFAOYSA-N 0 1 393.119 3.918 20 10 GHCDMN CCN(Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cc(Br)ccc1F ZINC000768439865 873303195 /nfs/dbraw/zinc/30/31/95/873303195.db2.gz LHZBUSJTDDRJJA-KRWDZBQOSA-N 0 1 396.256 3.742 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1[O-] ZINC000858014692 882723739 /nfs/dbraw/zinc/72/37/39/882723739.db2.gz OJDLRHVVCJZNBH-MRXNPFEDSA-N 0 1 389.839 3.880 20 10 GHCDMN C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@@H]21 ZINC001197178849 873616892 /nfs/dbraw/zinc/61/68/92/873616892.db2.gz RHRUBYAPXBZDSP-HYGGAKBASA-N 0 1 384.505 3.817 20 10 GHCDMN CN1CCC[C@@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@@H]21 ZINC001197178849 873616900 /nfs/dbraw/zinc/61/69/00/873616900.db2.gz RHRUBYAPXBZDSP-HYGGAKBASA-N 0 1 384.505 3.817 20 10 GHCDMN CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915090 873683163 /nfs/dbraw/zinc/68/31/63/873683163.db2.gz JFJYCJGEIRHKPR-YLJYHZDGSA-N 0 1 394.943 3.864 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769403873 874024687 /nfs/dbraw/zinc/02/46/87/874024687.db2.gz YJVOZNCUTJGHPS-INIZCTEOSA-N 0 1 389.883 3.908 20 10 GHCDMN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769403873 874024706 /nfs/dbraw/zinc/02/47/06/874024706.db2.gz YJVOZNCUTJGHPS-INIZCTEOSA-N 0 1 389.883 3.908 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000770288636 874571261 /nfs/dbraw/zinc/57/12/61/874571261.db2.gz NZWGBHZEUYFBJD-AWEZNQCLSA-N 0 1 395.956 3.917 20 10 GHCDMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000770288636 874571268 /nfs/dbraw/zinc/57/12/68/874571268.db2.gz NZWGBHZEUYFBJD-AWEZNQCLSA-N 0 1 395.956 3.917 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000858097375 882841437 /nfs/dbraw/zinc/84/14/37/882841437.db2.gz KJSGXNCCLVYUQQ-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN Oc1cccc(Br)c1CNCc1ccc(OCC(F)(F)F)nc1 ZINC000858097375 882841447 /nfs/dbraw/zinc/84/14/47/882841447.db2.gz KJSGXNCCLVYUQQ-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000770303872 874585940 /nfs/dbraw/zinc/58/59/40/874585940.db2.gz LVCNCIFGGNAKPH-KRWDZBQOSA-N 0 1 376.294 3.988 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771057539 875013596 /nfs/dbraw/zinc/01/35/96/875013596.db2.gz KKCFXPMZWOEQJR-INIZCTEOSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057539 875013610 /nfs/dbraw/zinc/01/36/10/875013610.db2.gz KKCFXPMZWOEQJR-INIZCTEOSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057539 875013623 /nfs/dbraw/zinc/01/36/23/875013623.db2.gz KKCFXPMZWOEQJR-INIZCTEOSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(Cc1ccc(F)cc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771064708 875017587 /nfs/dbraw/zinc/01/75/87/875017587.db2.gz KRKZXFBUNUYZBX-KRWDZBQOSA-N 0 1 394.849 3.647 20 10 GHCDMN CCN(CC)Cc1nc(C2(NCc3cc(Cl)cc(F)c3O)CCCC2)no1 ZINC000776175141 875693294 /nfs/dbraw/zinc/69/32/94/875693294.db2.gz IDRLQLJDFIRXTO-UHFFFAOYSA-N 0 1 396.894 3.969 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccc(F)cc3Br)cc2)CC1 ZINC000850406012 876887018 /nfs/dbraw/zinc/88/70/18/876887018.db2.gz OHSOXRVOCGHJNY-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Br)ccc1[O-] ZINC000850485283 876958416 /nfs/dbraw/zinc/95/84/16/876958416.db2.gz CSLODINPXLDVAB-QMMMGPOBSA-N 0 1 376.176 3.814 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000825542859 877180908 /nfs/dbraw/zinc/18/09/08/877180908.db2.gz DLNLZTXXKIOWFA-UHFFFAOYSA-N 0 1 394.284 3.863 20 10 GHCDMN FC(F)(F)Oc1ccc(N2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC001137050141 877826160 /nfs/dbraw/zinc/82/61/60/877826160.db2.gz SONYXKMMFAOSEK-UHFFFAOYSA-N 0 1 376.382 3.784 20 10 GHCDMN Cc1cccc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1O ZINC000179758908 877980037 /nfs/dbraw/zinc/98/00/37/877980037.db2.gz KGWXUUMHWFSQEB-KRWDZBQOSA-N 0 1 378.476 3.629 20 10 GHCDMN Cc1cc(CN[C@@H](c2cnn(C)c2)C2(CO)CCC2)ccc1N1CCCCC1 ZINC000852073601 878061770 /nfs/dbraw/zinc/06/17/70/878061770.db2.gz WBBDBZVHPRHFQM-QFIPXVFZSA-N 0 1 382.552 3.712 20 10 GHCDMN COc1ccc(N2CCCN(Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000179826182 878067491 /nfs/dbraw/zinc/06/74/91/878067491.db2.gz FRPREHKDDYPUQI-UHFFFAOYSA-N 0 1 382.533 3.994 20 10 GHCDMN O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000852314461 878232226 /nfs/dbraw/zinc/23/22/26/878232226.db2.gz IIODAILCFCVTLQ-QGZVFWFLSA-N 0 1 389.463 3.654 20 10 GHCDMN COC[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1cccc(OC)c1 ZINC000852442283 878323958 /nfs/dbraw/zinc/32/39/58/878323958.db2.gz AZAGFPRDLFVPOK-QHCPKHFHSA-N 0 1 384.520 3.788 20 10 GHCDMN CC[C@@](NCc1cc(Br)cc(F)c1O)(C(=O)OC)c1ccccc1 ZINC001183219762 912356025 /nfs/dbraw/zinc/35/60/25/912356025.db2.gz YEXSYJBBKHTSHT-SFHVURJKSA-N 0 1 396.256 3.862 20 10 GHCDMN COc1cc2c(cc1CN[C@H](C)c1ccc(N3CCOCC3)cc1)O[C@H](C)C2 ZINC000068478475 878607632 /nfs/dbraw/zinc/60/76/32/878607632.db2.gz RKHNVFISVJOGQR-IAGOWNOFSA-N 0 1 382.504 3.706 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000853544413 879101918 /nfs/dbraw/zinc/10/19/18/879101918.db2.gz UGKHMBMXLRECDF-QFIPXVFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000853544413 879101922 /nfs/dbraw/zinc/10/19/22/879101922.db2.gz UGKHMBMXLRECDF-QFIPXVFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000790411283 879689824 /nfs/dbraw/zinc/68/98/24/879689824.db2.gz JGDRSCVBLSBWNZ-UHFFFAOYSA-N 0 1 393.795 3.847 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H](c3ncc[nH]3)C3CCCCC3)cc2F)CC1 ZINC000286195667 912621353 /nfs/dbraw/zinc/62/13/53/912621353.db2.gz RLTDYPIXBMNYHV-OAQYLSRUSA-N 0 1 386.515 3.921 20 10 GHCDMN CCOc1ccc(CN(CCO)Cc2ccc(Br)s2)c(O)c1 ZINC000792196621 880983008 /nfs/dbraw/zinc/98/30/08/880983008.db2.gz PGKHUKHGZPURSQ-UHFFFAOYSA-N 0 1 386.311 3.609 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]2CC(C)(C)C)c1 ZINC000747077447 881128508 /nfs/dbraw/zinc/12/85/08/881128508.db2.gz XDYKUFXWHMSFIS-NRFANRHFSA-N 0 1 388.552 3.828 20 10 GHCDMN CC[C@H](NC(c1ccnn1C)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000858585500 883215483 /nfs/dbraw/zinc/21/54/83/883215483.db2.gz JAMKOTJVWCUNFB-AWEZNQCLSA-N 0 1 393.413 3.708 20 10 GHCDMN O=C(NCCCn1cnc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000804861267 883403534 /nfs/dbraw/zinc/40/35/34/883403534.db2.gz WDTJOYJPLWHXGG-UHFFFAOYSA-N 0 1 393.274 3.938 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnc2ccccc2c1 ZINC000805134500 883615323 /nfs/dbraw/zinc/61/53/23/883615323.db2.gz BCIHRPHKJKYRQG-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@H]1CCCCO1 ZINC001130285627 883935637 /nfs/dbraw/zinc/93/56/37/883935637.db2.gz VFUFEJWZSMPGPF-NFBKMPQASA-N 0 1 397.563 3.872 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1CCn2cccc2C1 ZINC001183741545 912787114 /nfs/dbraw/zinc/78/71/14/912787114.db2.gz UUJCVNAKYPIUNV-UHFFFAOYSA-N 0 1 386.087 3.735 20 10 GHCDMN O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000795755445 912789385 /nfs/dbraw/zinc/78/93/85/912789385.db2.gz OQJRLAFSUOBHOV-SFHVURJKSA-N 0 1 383.492 3.964 20 10 GHCDMN O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000795755445 912789396 /nfs/dbraw/zinc/78/93/96/912789396.db2.gz OQJRLAFSUOBHOV-SFHVURJKSA-N 0 1 383.492 3.964 20 10 GHCDMN CN1CCc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C1=O ZINC000806350675 884612429 /nfs/dbraw/zinc/61/24/29/884612429.db2.gz BXNLJYDCOGHCHR-UHFFFAOYSA-N 0 1 394.258 3.649 20 10 GHCDMN Cc1n[nH]cc1-c1nnc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000806443972 884711198 /nfs/dbraw/zinc/71/11/98/884711198.db2.gz HYSOKGORABLOHQ-UHFFFAOYSA-N 0 1 399.263 3.571 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000761998955 885181148 /nfs/dbraw/zinc/18/11/48/885181148.db2.gz CIOHTKDSGXXCAZ-UHFFFAOYSA-N 0 1 377.462 3.819 20 10 GHCDMN O=C(CCc1nc(C2CCCC2)no1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839904 885771127 /nfs/dbraw/zinc/77/11/27/885771127.db2.gz UKAORGAJBOWGBR-UHFFFAOYSA-N 0 1 384.263 3.989 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnnn1-c1ccccc1Cl ZINC000807840119 885771345 /nfs/dbraw/zinc/77/13/45/885771345.db2.gz QLOMDDXKVZEUHR-UHFFFAOYSA-N 0 1 397.649 3.863 20 10 GHCDMN O=C(CCc1nnc(-c2ccccc2)o1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837923 885803877 /nfs/dbraw/zinc/80/38/77/885803877.db2.gz GCUYFEHCFLJCIM-UHFFFAOYSA-N 0 1 392.242 3.998 20 10 GHCDMN CSc1ncc(Cl)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807839303 885805801 /nfs/dbraw/zinc/80/58/01/885805801.db2.gz BPLFKFHYKMQUJU-UHFFFAOYSA-N 0 1 378.668 3.794 20 10 GHCDMN Cc1ccccc1C[N@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000915212100 886018092 /nfs/dbraw/zinc/01/80/92/886018092.db2.gz XZNWDRBIXHKPBT-NTMALXAHSA-N 0 1 395.459 3.713 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c2cccnc12 ZINC000808114168 886026527 /nfs/dbraw/zinc/02/65/27/886026527.db2.gz STKLLHJAPBDKMD-UHFFFAOYSA-N 0 1 382.800 3.542 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1cc(Br)ccc1[O-] ZINC000808724189 886707883 /nfs/dbraw/zinc/70/78/83/886707883.db2.gz UDFFCLDYHUYKSK-XFKAJCMBSA-N 0 1 395.341 3.842 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccns2)C1 ZINC000863612591 887244183 /nfs/dbraw/zinc/24/41/83/887244183.db2.gz MMFYFXGGXVCGGE-HNNXBMFYSA-N 0 1 382.533 3.742 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000863942470 887475036 /nfs/dbraw/zinc/47/50/36/887475036.db2.gz XJDLJLAAHKVXFA-UHFFFAOYSA-N 0 1 378.476 3.899 20 10 GHCDMN CCOc1cc(F)cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864356479 887723528 /nfs/dbraw/zinc/72/35/28/887723528.db2.gz OZKBDTSERCGQOK-YBEGLDIGSA-N 0 1 380.510 3.520 20 10 GHCDMN Oc1ccc(Br)cc1CNCc1csc(-c2ccccn2)n1 ZINC000809713395 887731974 /nfs/dbraw/zinc/73/19/74/887731974.db2.gz OKWYGNCBCWTXFD-UHFFFAOYSA-N 0 1 376.279 3.963 20 10 GHCDMN COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809713165 887733621 /nfs/dbraw/zinc/73/36/21/887733621.db2.gz KKODDIOOHLCNQF-UHFFFAOYSA-N 0 1 388.265 3.843 20 10 GHCDMN COc1cc2c(c(C[NH2+]Cc3cc(Br)ccc3[O-])c1)O[C@H](C)C2 ZINC000809713413 887733724 /nfs/dbraw/zinc/73/37/24/887733724.db2.gz PJXSCFOELJFDDM-LLVKDONJSA-N 0 1 378.266 3.777 20 10 GHCDMN C[C@@H](NCc1cc(Br)cc(Br)c1O)C(F)(F)F ZINC000809783547 887834583 /nfs/dbraw/zinc/83/45/83/887834583.db2.gz HUGFAOAHCNZJMC-RXMQYKEDSA-N 0 1 376.998 3.958 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227231 888303328 /nfs/dbraw/zinc/30/33/28/888303328.db2.gz USYBMEHNHGCMOT-YDHLFZDLSA-N 0 1 379.444 3.808 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211065 888321840 /nfs/dbraw/zinc/32/18/40/888321840.db2.gz LCEVYBZCRTZETL-QGZVFWFLSA-N 0 1 396.409 3.777 20 10 GHCDMN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000810255354 888358655 /nfs/dbraw/zinc/35/86/55/888358655.db2.gz JSAGLFOWWKHTCL-RNODOKPDSA-N 0 1 379.884 3.707 20 10 GHCDMN CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)no1 ZINC000810256340 888360391 /nfs/dbraw/zinc/36/03/91/888360391.db2.gz XTENFXONKSLKMJ-DTWKUNHWSA-N 0 1 388.237 3.625 20 10 GHCDMN CCOc1ccc(CNCc2cc(OC)c(OC)cc2Br)c(O)c1 ZINC000729685639 889092545 /nfs/dbraw/zinc/09/25/45/889092545.db2.gz FFYGLMKYESBGQC-UHFFFAOYSA-N 0 1 396.281 3.860 20 10 GHCDMN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000811529064 889683419 /nfs/dbraw/zinc/68/34/19/889683419.db2.gz KHBWBRQOMXRPCL-UHFFFAOYSA-N 0 1 383.275 3.574 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1O ZINC000811704322 889878476 /nfs/dbraw/zinc/87/84/76/889878476.db2.gz ZTXTZFVYEMUGFE-UHFFFAOYSA-N 0 1 378.475 3.728 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099955 890245134 /nfs/dbraw/zinc/24/51/34/890245134.db2.gz NFAKGNDTBJKYKN-RDTXWAMCSA-N 0 1 392.471 3.565 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099955 890245148 /nfs/dbraw/zinc/24/51/48/890245148.db2.gz NFAKGNDTBJKYKN-RDTXWAMCSA-N 0 1 392.471 3.565 20 10 GHCDMN CC(=O)Nc1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000916841930 890281876 /nfs/dbraw/zinc/28/18/76/890281876.db2.gz JQBHBVMWYXXIAV-UHFFFAOYSA-N 0 1 382.464 3.833 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000812772106 890947963 /nfs/dbraw/zinc/94/79/63/890947963.db2.gz IIMTYXPWOAPLSO-ZDUSSCGKSA-N 0 1 379.273 3.910 20 10 GHCDMN CC(C)[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(N(C)C)cc1 ZINC000917075363 890972478 /nfs/dbraw/zinc/97/24/78/890972478.db2.gz UEDXNXOKNTUBAL-UHFFFAOYSA-N 0 1 379.548 3.811 20 10 GHCDMN CC(C)N(CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(N(C)C)cc1 ZINC000917075363 890972488 /nfs/dbraw/zinc/97/24/88/890972488.db2.gz UEDXNXOKNTUBAL-UHFFFAOYSA-N 0 1 379.548 3.811 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000917088137 891068255 /nfs/dbraw/zinc/06/82/55/891068255.db2.gz PTCCAJITKZUWHN-PSHVLCQKSA-N 0 1 387.568 3.537 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000747831466 891205045 /nfs/dbraw/zinc/20/50/45/891205045.db2.gz ZGEYDXGXNVWHGE-ROUUACIJSA-N 0 1 381.472 3.577 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000747831466 891205062 /nfs/dbraw/zinc/20/50/62/891205062.db2.gz ZGEYDXGXNVWHGE-ROUUACIJSA-N 0 1 381.472 3.577 20 10 GHCDMN COc1ccc(CNCc2ccc(C)nc2N2CCCC2)cc1Cn1cccn1 ZINC000873101417 891470485 /nfs/dbraw/zinc/47/04/85/891470485.db2.gz FNBXJMPVEDYEPT-UHFFFAOYSA-N 0 1 391.519 3.533 20 10 GHCDMN COc1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1Cn1cccn1 ZINC000873131614 891479489 /nfs/dbraw/zinc/47/94/89/891479489.db2.gz RBHLOBITWKEXBH-UHFFFAOYSA-N 0 1 376.382 3.644 20 10 GHCDMN O=Cc1cn(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c2ccccc12 ZINC000813683375 891874397 /nfs/dbraw/zinc/87/43/97/891874397.db2.gz MKNXSCICGLTNJC-UHFFFAOYSA-N 0 1 377.227 3.783 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2(C(F)(F)F)CC2)C1 ZINC001133980986 892086950 /nfs/dbraw/zinc/08/69/50/892086950.db2.gz NMCYXSSECUHXBG-UHFFFAOYSA-N 0 1 393.453 3.961 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C2CC2)cc1 ZINC000918089760 893101399 /nfs/dbraw/zinc/10/13/99/893101399.db2.gz VYCJPUNSBSNBLF-QFIPXVFZSA-N 0 1 398.526 3.869 20 10 GHCDMN OC1CCN(c2ccc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)CC1 ZINC000876752278 893313782 /nfs/dbraw/zinc/31/37/82/893313782.db2.gz KSILYDYIXCXPCV-UHFFFAOYSA-N 0 1 396.375 3.964 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000918184534 893322619 /nfs/dbraw/zinc/32/26/19/893322619.db2.gz HTCPCPBVALUEIS-FQEVSTJZSA-N 0 1 384.524 3.762 20 10 GHCDMN COC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])nc1C1CC1 ZINC000825927857 893424879 /nfs/dbraw/zinc/42/48/79/893424879.db2.gz ICXBYJAIJYAZTR-UHFFFAOYSA-N 0 1 391.265 3.504 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C(C)C)oc3C)cc2F)CC1 ZINC000796235124 913820844 /nfs/dbraw/zinc/82/08/44/913820844.db2.gz XATOGAJNMUOSQE-UHFFFAOYSA-N 0 1 387.499 3.922 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCN(CCc2ccccn2)CC1 ZINC000816498533 894878736 /nfs/dbraw/zinc/87/87/36/894878736.db2.gz YYLMXCUJSXKRDZ-UHFFFAOYSA-N 0 1 377.891 3.719 20 10 GHCDMN CCOC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(F)c1 ZINC000816574851 894953346 /nfs/dbraw/zinc/95/33/46/894953346.db2.gz UNBIRIFLFFHKHN-QGZVFWFLSA-N 0 1 385.794 3.726 20 10 GHCDMN COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)cc1 ZINC000774885128 913921475 /nfs/dbraw/zinc/92/14/75/913921475.db2.gz IWQQEZAZNCHUAP-MRXNPFEDSA-N 0 1 386.448 3.772 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cnc(C4CCC4)s3)SC2=S)CC1 ZINC000155387989 898715608 /nfs/dbraw/zinc/71/56/08/898715608.db2.gz SXLYVMPAHMRGFY-NTEUORMPSA-N 0 1 379.576 3.706 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H](F)C(F)(F)F)C1 ZINC000800216022 898756260 /nfs/dbraw/zinc/75/62/60/898756260.db2.gz YIXSLPQCOQZQID-QGZVFWFLSA-N 0 1 386.389 3.851 20 10 GHCDMN COc1ccc(N2CCC(NCc3nc(C)c(Br)s3)CC2)cc1 ZINC000824590902 899708131 /nfs/dbraw/zinc/70/81/31/899708131.db2.gz RGMZXXVWCOCXJH-UHFFFAOYSA-N 0 1 396.354 3.981 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824769568 899795188 /nfs/dbraw/zinc/79/51/88/899795188.db2.gz WWXBCVBJKNKMTN-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824769568 899795198 /nfs/dbraw/zinc/79/51/98/899795198.db2.gz WWXBCVBJKNKMTN-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CCN(C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)CC(F)(F)F ZINC000824894777 899863610 /nfs/dbraw/zinc/86/36/10/899863610.db2.gz JTNVUIYNNZLMJR-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN CCN(C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)CC(F)(F)F ZINC000824894777 899863621 /nfs/dbraw/zinc/86/36/21/899863621.db2.gz JTNVUIYNNZLMJR-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN CCOCc1cc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1OC ZINC000825109995 899977183 /nfs/dbraw/zinc/97/71/83/899977183.db2.gz BUCJYUPMRBNWMM-SJORKVTESA-N 0 1 382.504 3.688 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(C2CCOCC2)n1 ZINC000825346741 900110277 /nfs/dbraw/zinc/11/02/77/900110277.db2.gz FVPDFBPKTFHXPV-UHFFFAOYSA-N 0 1 385.251 3.569 20 10 GHCDMN CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(C)ccc3O)CC2)cs1 ZINC000093737093 901560726 /nfs/dbraw/zinc/56/07/26/901560726.db2.gz PISQITCYRIYBRY-INIZCTEOSA-N 0 1 375.538 3.572 20 10 GHCDMN COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144307846 901699311 /nfs/dbraw/zinc/69/93/11/901699311.db2.gz JADZHRNFVFMKFB-UHFFFAOYSA-N 0 1 380.213 3.596 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846017593 902598326 /nfs/dbraw/zinc/59/83/26/902598326.db2.gz GZOKUOQSKCDDOG-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(Br)cc(C)c1O ZINC000779032449 903252719 /nfs/dbraw/zinc/25/27/19/903252719.db2.gz PVCJAYCSKNLMSG-BLLLJJGKSA-N 0 1 380.282 3.856 20 10 GHCDMN COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(Br)cc(C)c1O ZINC000779032454 903252824 /nfs/dbraw/zinc/25/28/24/903252824.db2.gz PVCJAYCSKNLMSG-MLGOLLRUSA-N 0 1 380.282 3.856 20 10 GHCDMN C[C@@H](C(=O)Nc1ccccc1Cl)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153310834 904350215 /nfs/dbraw/zinc/35/02/15/904350215.db2.gz DEMHHLPORMVVOP-INIZCTEOSA-N 0 1 387.911 3.636 20 10 GHCDMN C[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000773138350 904471893 /nfs/dbraw/zinc/47/18/93/904471893.db2.gz UMKMKVYRISDMFN-ZWKOTPCHSA-N 0 1 380.536 3.560 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779160565 904910178 /nfs/dbraw/zinc/91/01/78/904910178.db2.gz FOLWTXYYDRRRCE-VXGBXAGGSA-N 0 1 399.875 3.689 20 10 GHCDMN C[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccsc1 ZINC000801569985 921141165 /nfs/dbraw/zinc/14/11/65/921141165.db2.gz KTNZZNMAHUSGKZ-ZDUSSCGKSA-N 0 1 390.464 3.813 20 10 GHCDMN COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC001173718197 906669156 /nfs/dbraw/zinc/66/91/56/906669156.db2.gz XOQKGIISZIFELS-LBPRGKRZSA-N 0 1 378.266 3.662 20 10 GHCDMN CC(C)[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cn1 ZINC000779393548 906700417 /nfs/dbraw/zinc/70/04/17/906700417.db2.gz SLIXJFYUCDNHKL-NRFANRHFSA-N 0 1 375.463 3.808 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000186712407 907972055 /nfs/dbraw/zinc/97/20/55/907972055.db2.gz FXQMOUXWFKOFLV-GFCCVEGCSA-N 0 1 398.887 3.575 20 10 GHCDMN Cc1noc(C)c1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001178355827 909029262 /nfs/dbraw/zinc/02/92/62/909029262.db2.gz IJZULWZNXAYUJY-LJQANCHMSA-N 0 1 388.512 3.713 20 10 GHCDMN CCN(CC)c1ccc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1F ZINC001178615141 909147860 /nfs/dbraw/zinc/14/78/60/909147860.db2.gz RNCXWQSVALBTLX-OAQYLSRUSA-N 0 1 383.511 3.871 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC001179040013 909357553 /nfs/dbraw/zinc/35/75/53/909357553.db2.gz ROSMHMGRFPBAIG-LLVKDONJSA-N 0 1 386.773 3.730 20 10 GHCDMN O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)Nc1cccc(F)c1 ZINC001180194738 910030190 /nfs/dbraw/zinc/03/01/90/910030190.db2.gz MCCQZJVHYLNYMW-CYBMUJFWSA-N 0 1 393.409 3.843 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[nH]1 ZINC000801863733 921555539 /nfs/dbraw/zinc/55/55/39/921555539.db2.gz RLOYNJOKRDFKHB-IBGZPJMESA-N 0 1 392.503 3.759 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCc4c3c(F)ccc4F)cc2F)CC1 ZINC000269835988 910363959 /nfs/dbraw/zinc/36/39/59/910363959.db2.gz ASBJENAUNPHZEB-IBGZPJMESA-N 0 1 376.422 3.842 20 10 GHCDMN COC(=O)c1c(CN(C)C[C@@H]2OCCc3ccccc32)c2cc(F)ccc2n1C ZINC001181892304 911064553 /nfs/dbraw/zinc/06/45/53/911064553.db2.gz KNADAIISNUIYFW-NRFANRHFSA-N 0 1 396.462 3.850 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000247507746 911327759 /nfs/dbraw/zinc/32/77/59/911327759.db2.gz YHQRUEVTRPDUHV-UZUQRXQVSA-N 0 1 394.515 3.620 20 10 GHCDMN COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCN2C2CC2)c1 ZINC000801957665 921683568 /nfs/dbraw/zinc/68/35/68/921683568.db2.gz NQYMBDZNKPIDJG-VXKWHMMOSA-N 0 1 398.478 3.810 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cnc(C(C)(C)C)nc3)cc2F)C[C@H](C)O1 ZINC000284470079 911881583 /nfs/dbraw/zinc/88/15/83/911881583.db2.gz VSZMAWREAMQAFH-HOTGVXAUSA-N 0 1 386.515 3.817 20 10 GHCDMN COC(=O)/C=C\c1ccc(N2CCC(c3nc(C)c(C)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001187640935 915408254 /nfs/dbraw/zinc/40/82/54/915408254.db2.gz WZYZKKVIVBQBMJ-ALCCZGGFSA-N 0 1 384.436 3.505 20 10 GHCDMN Fc1cccc(N2CCCC2)c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000097465665 915565777 /nfs/dbraw/zinc/56/57/77/915565777.db2.gz WNUMFVXYVBHNEL-UHFFFAOYSA-N 0 1 387.474 3.691 20 10 GHCDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188242635 915819298 /nfs/dbraw/zinc/81/92/98/915819298.db2.gz SLOMZQXXKJTYBN-UHFFFAOYSA-N 0 1 380.775 3.877 20 10 GHCDMN Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1NC(=O)CC[NH+](C)C ZINC000293611182 916291027 /nfs/dbraw/zinc/29/10/27/916291027.db2.gz LVECZBRGGZGGDA-UHFFFAOYSA-N 0 1 379.863 3.995 20 10 GHCDMN Cn1ccnc1[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(C)(C)CO ZINC000295003851 917089355 /nfs/dbraw/zinc/08/93/55/917089355.db2.gz IUFBPZQTTKNFBM-OAQYLSRUSA-N 0 1 395.503 3.554 20 10 GHCDMN c1ccc(COc2cnccc2CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000796449450 917387304 /nfs/dbraw/zinc/38/73/04/917387304.db2.gz NTASWGKLRSNYHH-UHFFFAOYSA-N 0 1 389.499 3.787 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cccc2ccncc21 ZINC001190976854 917679532 /nfs/dbraw/zinc/67/95/32/917679532.db2.gz VPAGEONKKFTGBF-UHFFFAOYSA-N 0 1 383.256 3.726 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC001191268281 917881843 /nfs/dbraw/zinc/88/18/43/917881843.db2.gz KDEMARHIQJDTMK-INIZCTEOSA-N 0 1 384.314 3.705 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC001191268281 917881845 /nfs/dbraw/zinc/88/18/45/917881845.db2.gz KDEMARHIQJDTMK-INIZCTEOSA-N 0 1 384.314 3.705 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775484310 918235392 /nfs/dbraw/zinc/23/53/92/918235392.db2.gz AZTHNSSRHKUGHH-IRXDYDNUSA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000775490803 918272888 /nfs/dbraw/zinc/27/28/88/918272888.db2.gz XHBGJRCABQKLSD-LJQANCHMSA-N 0 1 388.895 3.759 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892814 919286293 /nfs/dbraw/zinc/28/62/93/919286293.db2.gz LHJNRRKVCAJPNP-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275892814 919286303 /nfs/dbraw/zinc/28/63/03/919286303.db2.gz LHJNRRKVCAJPNP-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275893430 919292166 /nfs/dbraw/zinc/29/21/66/919292166.db2.gz YKXUECDQPDYQRD-AWEZNQCLSA-N 0 1 390.833 3.716 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000800992157 920674643 /nfs/dbraw/zinc/67/46/43/920674643.db2.gz GJTIDCOQLCIWTP-PKOBYXMFSA-N 0 1 390.483 3.876 20 10 GHCDMN O=C(NCC[NH+]1CCCC1)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000802761229 922385786 /nfs/dbraw/zinc/38/57/86/922385786.db2.gz KABFKGDSGYQAMR-UHFFFAOYSA-N 0 1 391.874 3.622 20 10 GHCDMN C[C@H](NCc1cn(C)nc1Br)c1cc(Br)ccc1O ZINC000903188497 922842208 /nfs/dbraw/zinc/84/22/08/922842208.db2.gz RUDQYWAUZNMQHF-QMMMGPOBSA-N 0 1 389.091 3.502 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(c3nccc(C)n3)CC2)c1O ZINC000371899832 924961619 /nfs/dbraw/zinc/96/16/19/924961619.db2.gz RSWLTIKARJSSDV-UHFFFAOYSA-N 0 1 392.297 3.641 20 10 GHCDMN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1Br ZINC001276077466 925243790 /nfs/dbraw/zinc/24/37/90/925243790.db2.gz QAUFNARRGMZIOE-IBGZPJMESA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077466 925243795 /nfs/dbraw/zinc/24/37/95/925243795.db2.gz QAUFNARRGMZIOE-IBGZPJMESA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077466 925243804 /nfs/dbraw/zinc/24/38/04/925243804.db2.gz QAUFNARRGMZIOE-IBGZPJMESA-N 0 1 395.341 3.768 20 10 GHCDMN CC(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1c(O)cccc1Br ZINC001276077466 925243815 /nfs/dbraw/zinc/24/38/15/925243815.db2.gz QAUFNARRGMZIOE-IBGZPJMESA-N 0 1 395.341 3.768 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827310506 925244395 /nfs/dbraw/zinc/24/43/95/925244395.db2.gz OUWIVBGXFAMCID-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310506 925244400 /nfs/dbraw/zinc/24/44/00/925244400.db2.gz OUWIVBGXFAMCID-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cnccc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827310506 925244408 /nfs/dbraw/zinc/24/44/08/925244408.db2.gz OUWIVBGXFAMCID-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN O=C(C[C@H]1CCC2(CCC2)O1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440407 925796658 /nfs/dbraw/zinc/79/66/58/925796658.db2.gz VEVPIYNNFLGCRL-ZWKOTPCHSA-N 0 1 392.927 3.618 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000827942361 926352304 /nfs/dbraw/zinc/35/23/04/926352304.db2.gz PCVYTJZPEXTYFE-QGZVFWFLSA-N 0 1 377.282 3.543 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCCN(C/C=C/c3ccc(N(C)C)cc3)C2)s1 ZINC000827949139 926374916 /nfs/dbraw/zinc/37/49/16/926374916.db2.gz LFPTWACHGBVVBF-UKINESCASA-N 0 1 385.533 3.889 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cc(Br)ccc1[O-] ZINC000390273432 926393403 /nfs/dbraw/zinc/39/34/03/926393403.db2.gz BJEUAVFVYOQNBD-INIZCTEOSA-N 0 1 377.282 3.755 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000726248198 926609882 /nfs/dbraw/zinc/60/98/82/926609882.db2.gz UMOXSJFPBGJKKP-HXUWFJFHSA-N 0 1 384.524 3.544 20 10 GHCDMN CC(=O)c1cc(F)cc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000749480259 927125837 /nfs/dbraw/zinc/12/58/37/927125837.db2.gz KJXFISQUUDLFKJ-QGZVFWFLSA-N 0 1 392.471 3.708 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758169812 929958190 /nfs/dbraw/zinc/95/81/90/929958190.db2.gz ZRNMEWSSOJNYCM-UHFFFAOYSA-N 0 1 381.168 3.547 20 10 GHCDMN OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000758635024 930112492 /nfs/dbraw/zinc/11/24/92/930112492.db2.gz ZCWJZQWRAXBESS-GOSISDBHSA-N 0 1 398.400 3.504 20 10 GHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000759160442 930294372 /nfs/dbraw/zinc/29/43/72/930294372.db2.gz OKPWGWMIYPZOPQ-HXUWFJFHSA-N 0 1 391.471 3.708 20 10 GHCDMN CCOc1ccc(CN[C@@H](CCO)c2ccccc2Br)c(O)c1 ZINC000781637583 930919671 /nfs/dbraw/zinc/91/96/71/930919671.db2.gz BEZQZMRQKPKGPC-KRWDZBQOSA-N 0 1 380.282 3.767 20 10 GHCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781904986 931021974 /nfs/dbraw/zinc/02/19/74/931021974.db2.gz KWWFQUOVUFQLAR-CQSZACIVSA-N 0 1 383.330 3.591 20 10 GHCDMN Cc1nccnc1[C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000783280361 931481276 /nfs/dbraw/zinc/48/12/76/931481276.db2.gz VMAQPSCZKXSKRX-VQIMIIECSA-N 0 1 399.539 3.768 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(Br)cc1[O-] ZINC000926929376 932353366 /nfs/dbraw/zinc/35/33/66/932353366.db2.gz VTJRXZWPSGQNTR-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN CC[C@H](NCc1nc2c(s1)COCC2)c1cc(Br)ccc1O ZINC000927122039 932421243 /nfs/dbraw/zinc/42/12/43/932421243.db2.gz RAUOXHKCVGKKAW-LBPRGKRZSA-N 0 1 383.311 3.925 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1N1CCCCC1 ZINC000799344753 932960195 /nfs/dbraw/zinc/96/01/95/932960195.db2.gz HDGAMTCSGUCLPT-HSZRJFAPSA-N 0 1 395.503 3.899 20 10 GHCDMN COC1CCN(c2ccc(CN(C)[C@H]3CCN(c4ccccc4)C3=O)cc2)CC1 ZINC000828292799 935606386 /nfs/dbraw/zinc/60/63/86/935606386.db2.gz HHFAOQPWRDSERL-QHCPKHFHSA-N 0 1 393.531 3.539 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H]2C[C@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000828474368 935640341 /nfs/dbraw/zinc/64/03/41/935640341.db2.gz IHXMVNNXRUPONR-YOEHRIQHSA-N 0 1 375.900 3.561 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@@](OC)(C(F)(F)F)C3)cc2)CC1 ZINC000829092925 935765883 /nfs/dbraw/zinc/76/58/83/935765883.db2.gz RYKRFDRRDDELCO-IBGZPJMESA-N 0 1 386.458 3.845 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@H](Oc4ncccc4F)C3)cc2)CC1 ZINC000829306461 935792440 /nfs/dbraw/zinc/79/24/40/935792440.db2.gz YDAGCJZJWFFWLV-NRFANRHFSA-N 0 1 399.510 3.879 20 10 GHCDMN COC(=O)c1cc2c(nc1-c1ccoc1)CC[N@@H+](Cc1c([O-])cccc1F)CC2 ZINC001137834911 935814070 /nfs/dbraw/zinc/81/40/70/935814070.db2.gz YGHSQOBHCQTYQC-UHFFFAOYSA-N 0 1 396.418 3.574 20 10 GHCDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001589001065 984942723 /nfs/dbraw/zinc/94/27/23/984942723.db2.gz GFBLHHDLWCQYKO-NTUHNPAUSA-N 0 1 390.823 3.944 20 10 GHCDMN Cn1c2ccc(F)cc2c(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598529245 992758567 /nfs/dbraw/zinc/75/85/67/992758567.db2.gz XRYUVGOHKBJQBS-GOSISDBHSA-N 0 1 395.478 3.722 20 10 GHCDMN CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598529245 992758574 /nfs/dbraw/zinc/75/85/74/992758574.db2.gz XRYUVGOHKBJQBS-GOSISDBHSA-N 0 1 395.478 3.722 20 10 GHCDMN CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598529245 992758578 /nfs/dbraw/zinc/75/85/78/992758578.db2.gz XRYUVGOHKBJQBS-GOSISDBHSA-N 0 1 395.478 3.722 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](C)C(C)(C)C3)cc2F)CC1 ZINC001221805301 1032540657 /nfs/dbraw/zinc/54/06/57/1032540657.db2.gz RBSIRZRNVWBSTH-KRWDZBQOSA-N 0 1 390.547 3.545 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3ncccc3F)c1C2=O ZINC001227994986 1032729316 /nfs/dbraw/zinc/72/93/16/1032729316.db2.gz QESPFPRJPCTKIS-NSHDSACASA-N 0 1 393.370 3.856 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCc2cc(F)ccc21 ZINC001228520975 1032968621 /nfs/dbraw/zinc/96/86/21/1032968621.db2.gz GJIPRAJXSWTWGB-IBGZPJMESA-N 0 1 396.370 3.945 20 10 GHCDMN Cc1ccc([C@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)cn1 ZINC001228520399 1032968425 /nfs/dbraw/zinc/96/84/25/1032968425.db2.gz ZUXZCOZMKAOQPO-LBPRGKRZSA-N 0 1 381.384 3.583 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001140338993 1021445039 /nfs/dbraw/zinc/44/50/39/1021445039.db2.gz QKJUTGJAIUEQSV-LDQXTDLNSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001140338993 1021445045 /nfs/dbraw/zinc/44/50/45/1021445045.db2.gz QKJUTGJAIUEQSV-LDQXTDLNSA-N 0 1 388.895 3.779 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(Br)ccc1[O-] ZINC000834899461 1021645605 /nfs/dbraw/zinc/64/56/05/1021645605.db2.gz QCQBNWFZNSEGDC-XUWXXGDYSA-N 0 1 394.313 3.849 20 10 GHCDMN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001204608464 1032992681 /nfs/dbraw/zinc/99/26/81/1032992681.db2.gz IBDOTTAKJNYDTF-INIZCTEOSA-N 0 1 376.859 3.969 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cc(Br)ccc1[O-] ZINC000834915779 1021677984 /nfs/dbraw/zinc/67/79/84/1021677984.db2.gz ZVKUUAJNJZBAFP-QRTARXTBSA-N 0 1 394.313 3.849 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140464276 1021755235 /nfs/dbraw/zinc/75/52/35/1021755235.db2.gz JFVXFAZUWHXGNQ-ZDUSSCGKSA-N 0 1 387.789 3.898 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140464276 1021755243 /nfs/dbraw/zinc/75/52/43/1021755243.db2.gz JFVXFAZUWHXGNQ-ZDUSSCGKSA-N 0 1 387.789 3.898 20 10 GHCDMN C[C@@H]1CN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C[C@@H]1F ZINC001140475308 1021769774 /nfs/dbraw/zinc/76/97/74/1021769774.db2.gz ZRTMQFYBJAUNTO-APWZRJJASA-N 0 1 377.504 3.534 20 10 GHCDMN C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCN1C(=O)c1cscn1 ZINC000835057119 1021829063 /nfs/dbraw/zinc/82/90/63/1021829063.db2.gz LYROZBUSKUYKNW-INIZCTEOSA-N 0 1 393.512 3.862 20 10 GHCDMN Cc1cccc(N2CCC[C@]3(CN(Cc4ccc(O)c(C)c4O)CCO3)C2)c1 ZINC001140745187 1022413330 /nfs/dbraw/zinc/41/33/30/1022413330.db2.gz ZHDOVTODGSQJKB-QHCPKHFHSA-N 0 1 382.504 3.586 20 10 GHCDMN COc1ccc(N2CCCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)cc1 ZINC000755212060 1023130686 /nfs/dbraw/zinc/13/06/86/1023130686.db2.gz NEGVTOMAIKBVKW-UHFFFAOYSA-N 0 1 394.450 3.577 20 10 GHCDMN CN(CC1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1)C(=O)OC(C)(C)C ZINC001141075530 1023436386 /nfs/dbraw/zinc/43/63/86/1023436386.db2.gz SWKVATHAUHBSLK-UHFFFAOYSA-N 0 1 385.552 3.684 20 10 GHCDMN CN1CCOc2cc(CN3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)ccc21 ZINC001141142104 1023573590 /nfs/dbraw/zinc/57/35/90/1023573590.db2.gz FRPDQTJBSBRBIW-ZLGUVYLKSA-N 0 1 397.544 3.811 20 10 GHCDMN C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1[O-] ZINC000756369330 1023613406 /nfs/dbraw/zinc/61/34/06/1023613406.db2.gz BNQPYUFYTSUQON-LBPRGKRZSA-N 0 1 378.266 3.819 20 10 GHCDMN COc1ccc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nn2)cc1 ZINC001156657259 1033160997 /nfs/dbraw/zinc/16/09/97/1033160997.db2.gz KDIHUSMOTNOUPA-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000756709638 1023783921 /nfs/dbraw/zinc/78/39/21/1023783921.db2.gz YDLYUDIATWLGFU-GFCCVEGCSA-N 0 1 395.272 3.765 20 10 GHCDMN COc1ccccc1-c1ccnc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156660379 1033162336 /nfs/dbraw/zinc/16/23/36/1033162336.db2.gz WDRSYVKPKSMZKP-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN CN1CCCc2cc(CN3CCCn4cnc(COCC5CC5)c4C3)ccc21 ZINC001138356270 1024720627 /nfs/dbraw/zinc/72/06/27/1024720627.db2.gz HJTUIDGDSRPGDP-UHFFFAOYSA-N 0 1 380.536 3.598 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3cccc(OC)n3)CC2)c(OC)c1 ZINC001138391635 1024769079 /nfs/dbraw/zinc/76/90/79/1024769079.db2.gz HLKVKMZGYAIFSG-UHFFFAOYSA-N 0 1 399.535 3.988 20 10 GHCDMN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141377532 1024774844 /nfs/dbraw/zinc/77/48/44/1024774844.db2.gz RNRSAQMJPYWJAI-ZDUSSCGKSA-N 0 1 398.688 3.560 20 10 GHCDMN CC(C)c1nc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n[nH]1 ZINC000837971217 1024853598 /nfs/dbraw/zinc/85/35/98/1024853598.db2.gz BEGMDPAQHXDOND-UHFFFAOYSA-N 0 1 384.528 3.696 20 10 GHCDMN O=C(c1ccccc1F)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499862 1024933014 /nfs/dbraw/zinc/93/30/14/1024933014.db2.gz MMSYITGQSJVWNQ-UHFFFAOYSA-N 0 1 382.479 3.757 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccccc3N3CCCC3)CC2)c(OC)c1 ZINC001138614902 1025106362 /nfs/dbraw/zinc/10/63/62/1025106362.db2.gz HEYSYJVADGRUNV-UHFFFAOYSA-N 0 1 381.520 3.626 20 10 GHCDMN COC(=O)c1cccc2c1CCN(Cc1ccc(N3CCC(OC)CC3)cc1)C2 ZINC000839093304 1025592494 /nfs/dbraw/zinc/59/24/94/1025592494.db2.gz YDMLAUZWXFGDTM-UHFFFAOYSA-N 0 1 394.515 3.647 20 10 GHCDMN COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139134003 1025945931 /nfs/dbraw/zinc/94/59/31/1025945931.db2.gz VOPGJRFYXWYDBE-OAHLLOKOSA-N 0 1 395.455 3.596 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2Br)c1 ZINC000839538785 1026028236 /nfs/dbraw/zinc/02/82/36/1026028236.db2.gz GMYJNJBMMZCCJF-SNVBAGLBSA-N 0 1 381.226 3.922 20 10 GHCDMN Cc1nn(C)c2nc(Cl)c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC001461121758 1069400722 /nfs/dbraw/zinc/40/07/22/1069400722.db2.gz NPDFGVGYHHBCIG-CQSZACIVSA-N 0 1 399.926 3.618 20 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C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000840865016 1027903290 /nfs/dbraw/zinc/90/32/90/1027903290.db2.gz SNDPQBCQMLVKAI-IUODEOHRSA-N 0 1 393.281 3.926 20 10 GHCDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979091 1028019426 /nfs/dbraw/zinc/01/94/26/1028019426.db2.gz RISVYJQFUJIOGB-VHSXEESVSA-N 0 1 393.119 3.510 20 10 GHCDMN COc1ccccc1OC[C@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC001461352446 1069514314 /nfs/dbraw/zinc/51/43/14/1069514314.db2.gz KIKXRPDOEQSIBF-CYBMUJFWSA-N 0 1 380.282 3.968 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841744273 1028906445 /nfs/dbraw/zinc/90/64/45/1028906445.db2.gz GSSWHFGMRBNIRH-CYBMUJFWSA-N 0 1 396.940 3.973 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000843041132 1029782920 /nfs/dbraw/zinc/78/29/20/1029782920.db2.gz OURTYRZDDWODDR-GDBMZVCRSA-N 0 1 395.341 3.982 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1O ZINC001143105548 1029843596 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XITIPTHKCQMMOI-JTQLQIEISA-N 0 1 390.388 3.610 20 10 GHCDMN COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001207103613 1034093336 /nfs/dbraw/zinc/09/33/36/1034093336.db2.gz YLDMCOCZXIIPMT-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1[O-] ZINC001207103613 1034093348 /nfs/dbraw/zinc/09/33/48/1034093348.db2.gz YLDMCOCZXIIPMT-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN CCC1([NH+]2CCCCC2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC001207333275 1034282490 /nfs/dbraw/zinc/28/24/90/1034282490.db2.gz COJLXOXQTFZIBX-UHFFFAOYSA-N 0 1 377.485 3.540 20 10 GHCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231455246 1034599130 /nfs/dbraw/zinc/59/91/30/1034599130.db2.gz ZHBNGYOUSLBMBV-UHFFFAOYSA-N 0 1 392.496 3.702 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001231853432 1034943533 /nfs/dbraw/zinc/94/35/33/1034943533.db2.gz KHJRYDJYQIEYTB-UHFFFAOYSA-N 0 1 384.402 3.543 20 10 GHCDMN 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ZPOPGNIMJBJEEO-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN Cc1ccc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c(C)n1 ZINC001232082786 1035083843 /nfs/dbraw/zinc/08/38/43/1035083843.db2.gz JBIVRIVLZPPUEI-UHFFFAOYSA-N 0 1 388.515 3.995 20 10 GHCDMN CN1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC001232198285 1035157197 /nfs/dbraw/zinc/15/71/97/1035157197.db2.gz ORODQDQOTUIYEV-QFIPXVFZSA-N 0 1 385.939 3.665 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H](NC(=O)c3ccncc3)C2)cc1 ZINC001209519709 1035300976 /nfs/dbraw/zinc/30/09/76/1035300976.db2.gz GHKABULQZOWVTH-JOCHJYFZSA-N 0 1 388.515 3.884 20 10 GHCDMN COc1cc(I)cc(CN2CC[C@@H](C)C[C@@H]2C)c1O ZINC001248401250 1035814848 /nfs/dbraw/zinc/81/48/48/1035814848.db2.gz TVWPYZXYETVFQG-MNOVXSKESA-N 0 1 375.250 3.626 20 10 GHCDMN CCC1CCN(Cc2cc(I)c(OC)cc2O)CC1 ZINC001248462108 1035885600 /nfs/dbraw/zinc/88/56/00/1035885600.db2.gz NIAKVHAFCRVRTN-UHFFFAOYSA-N 0 1 375.250 3.627 20 10 GHCDMN CC[C@@H]1CCC[N@H+](Cc2cc(I)c(OC)cc2[O-])C1 ZINC001248471826 1035900121 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392.908 3.745 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1Cl ZINC001232268971 1037992289 /nfs/dbraw/zinc/99/22/89/1037992289.db2.gz XNKYPRKEOJNPAJ-LJQANCHMSA-N 0 1 392.908 3.745 20 10 GHCDMN COC(=O)c1c(CN2CC[C@@H](C(=O)c3ccccc3)C2)c2ccccc2n1C ZINC001232404131 1038187383 /nfs/dbraw/zinc/18/73/83/1038187383.db2.gz NFGHIZFRLXTYLH-QGZVFWFLSA-N 0 1 376.456 3.670 20 10 GHCDMN CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001277665338 1038224402 /nfs/dbraw/zinc/22/44/02/1038224402.db2.gz NHWGBCNIUUEDPA-UHFFFAOYSA-N 0 1 380.916 3.756 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)c(OC)cc1O ZINC001277666036 1038229227 /nfs/dbraw/zinc/22/92/27/1038229227.db2.gz MXINNXYVHBATKE-FQEVSTJZSA-N 0 1 380.916 3.811 20 10 GHCDMN CCC[N@H+](CCc1ccccn1)Cc1ccc(I)cc1[O-] ZINC001232979544 1038747165 /nfs/dbraw/zinc/74/71/65/1038747165.db2.gz FNIBCZUQUVGZEM-UHFFFAOYSA-N 0 1 396.272 3.847 20 10 GHCDMN CCC[N@@H+](CCc1ccccn1)Cc1ccc(I)cc1[O-] ZINC001232979544 1038747169 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C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465952267 1065935713 /nfs/dbraw/zinc/93/57/13/1065935713.db2.gz ZEBNRKKDUUZGRQ-IHYABNQOSA-N 0 1 376.928 3.808 20 10 GHCDMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001471191491 1072960167 /nfs/dbraw/zinc/96/01/67/1072960167.db2.gz OJWUYGCACFGXTN-CVDCTZTESA-N 0 1 392.547 3.526 20 10 GHCDMN Cc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001479185579 1079141088 /nfs/dbraw/zinc/14/10/88/1079141088.db2.gz NNUSYOOOXYAYSE-FQEVSTJZSA-N 0 1 394.563 3.519 20 10 GHCDMN CC[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC001479389326 1079194643 /nfs/dbraw/zinc/19/46/43/1079194643.db2.gz ZMBGNMHFVWGMIN-JTQLQIEISA-N 0 1 391.295 3.866 20 10 GHCDMN O=C1NCCN1c1cccc(NCc2cc(Cl)cc(Br)c2O)c1 ZINC001473946766 1074214407 /nfs/dbraw/zinc/21/44/07/1074214407.db2.gz CWCFRROQIDOUCS-UHFFFAOYSA-N 0 1 396.672 3.950 20 10 GHCDMN COC(=O)c1c(CN2CCS[C@H]3CCCC[C@H]32)c2cc(F)ccc2n1C ZINC001474343314 1074353831 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382.430 3.609 20 10 GHCDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)cc1 ZINC000154261207 836684193 /nfs/dbraw/zinc/68/41/93/836684193.db2.gz NWXHWZGKUQADLR-UHFFFAOYSA-N 0 1 385.439 3.735 20 10 GHCDMN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000378404267 839057650 /nfs/dbraw/zinc/05/76/50/839057650.db2.gz OVJHWAWXPUBGHN-KXBFYZLASA-N 0 1 386.467 3.845 20 10 GHCDMN Cc1cc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)nc1Br ZINC001167434922 840196582 /nfs/dbraw/zinc/19/65/82/840196582.db2.gz ZOCRQBKJOPDHCJ-UHFFFAOYSA-N 0 1 389.341 3.825 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000706841920 840954097 /nfs/dbraw/zinc/95/40/97/840954097.db2.gz DTJUXHYMOLWAFY-HUUCEWRRSA-N 0 1 399.329 3.936 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000053540037 841747828 /nfs/dbraw/zinc/74/78/28/841747828.db2.gz AISFKTMNWMKBSA-QFIPXVFZSA-N 0 1 398.551 3.596 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000628650694 842160911 /nfs/dbraw/zinc/16/09/11/842160911.db2.gz DEFFYZGZEQKVPP-MSOLQXFVSA-N 0 1 397.588 3.904 20 10 GHCDMN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1c(F)ccc(O)c1O ZINC000276580995 842294531 /nfs/dbraw/zinc/29/45/31/842294531.db2.gz LPDSNWVDWHELNT-UHFFFAOYSA-N 0 1 387.411 3.897 20 10 GHCDMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n[nH]1 ZINC000255376746 842463123 /nfs/dbraw/zinc/46/31/23/842463123.db2.gz NLVDZROSYVJLFP-AWEZNQCLSA-N 0 1 390.447 3.819 20 10 GHCDMN CCCOc1ccc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000280687623 846500612 /nfs/dbraw/zinc/50/06/12/846500612.db2.gz ODXLALDOWWRYEJ-IERDGZPVSA-N 0 1 391.533 3.753 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(Br)cc1[O-] ZINC000273612605 847385679 /nfs/dbraw/zinc/38/56/79/847385679.db2.gz WQDFNEKYJAAEBN-LBPRGKRZSA-N 0 1 389.293 3.898 20 10 GHCDMN CCOc1ncccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435553086 850641812 /nfs/dbraw/zinc/64/18/12/850641812.db2.gz AHFMHWIDZJXQNZ-UHFFFAOYSA-N 0 1 392.503 3.840 20 10 GHCDMN CCOc1ncccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435553086 850641814 /nfs/dbraw/zinc/64/18/14/850641814.db2.gz AHFMHWIDZJXQNZ-UHFFFAOYSA-N 0 1 392.503 3.840 20 10 GHCDMN CCOC[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000435854894 850927547 /nfs/dbraw/zinc/92/75/47/850927547.db2.gz HWZMDCGZTIFGOB-IBGZPJMESA-N 0 1 397.563 3.683 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCOCC23CCCC3)C1 ZINC000436027351 851113498 /nfs/dbraw/zinc/11/34/98/851113498.db2.gz MEHGLKHNFNRPRT-UHFFFAOYSA-N 0 1 395.547 3.579 20 10 GHCDMN CC(C)OCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436041630 851139735 /nfs/dbraw/zinc/13/97/35/851139735.db2.gz MRHNKDRQVFDFBW-UHFFFAOYSA-N 0 1 385.552 3.729 20 10 GHCDMN CC(C)OCCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000436041630 851139745 /nfs/dbraw/zinc/13/97/45/851139745.db2.gz MRHNKDRQVFDFBW-UHFFFAOYSA-N 0 1 385.552 3.729 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000894422314 851299137 /nfs/dbraw/zinc/29/91/37/851299137.db2.gz JNFPMJHAXRXSME-UHFFFAOYSA-N 0 1 388.611 3.697 20 10 GHCDMN Cc1csc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000111416848 853792451 /nfs/dbraw/zinc/79/24/51/853792451.db2.gz RTGHYINSVDLSTJ-CQSZACIVSA-N 0 1 380.901 3.597 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227022197 858378976 /nfs/dbraw/zinc/37/89/76/858378976.db2.gz HMOUXBDSPTYAEA-CQSZACIVSA-N 0 1 385.302 3.644 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000765309047 859905079 /nfs/dbraw/zinc/90/50/79/859905079.db2.gz ZWNMIBBIVJOAJW-UHFFFAOYSA-N 0 1 378.476 3.814 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4cccc(C)c4o3)cc2F)CC1 ZINC000730192860 860934846 /nfs/dbraw/zinc/93/48/46/860934846.db2.gz NTFBGKYLIBTHMW-UHFFFAOYSA-N 0 1 395.478 3.952 20 10 GHCDMN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001170422381 881782734 /nfs/dbraw/zinc/78/27/34/881782734.db2.gz VYVHCKOPROLWDQ-HNNXBMFYSA-N 0 1 378.266 3.994 20 10 GHCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897158221 864675680 /nfs/dbraw/zinc/67/56/80/864675680.db2.gz WUHWZIYKILEQRJ-ZDUSSCGKSA-N 0 1 397.500 3.663 20 10 GHCDMN COc1ccc(N2CCN(C(=O)CN3CCCCC[C@@H]3c3ccco3)CC2)cc1 ZINC000736623785 865248868 /nfs/dbraw/zinc/24/88/68/865248868.db2.gz SMMRJIYXVTURIF-OAQYLSRUSA-N 0 1 397.519 3.554 20 10 GHCDMN CCCOc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000063824350 865442049 /nfs/dbraw/zinc/44/20/49/865442049.db2.gz ZFUHPCDOMSSLTP-LGMDPLHJSA-N 0 1 376.547 3.771 20 10 GHCDMN O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000738270018 865510980 /nfs/dbraw/zinc/51/09/80/865510980.db2.gz IFDIWVWJIIEGEI-LJQANCHMSA-N 0 1 394.515 3.779 20 10 GHCDMN CN(C)c1ccc(CNCc2cn(C)nc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000793029721 881903561 /nfs/dbraw/zinc/90/35/61/881903561.db2.gz RDXBUOBIXCHULI-UHFFFAOYSA-N 0 1 380.336 3.814 20 10 GHCDMN CC(C)N(CC(=O)NCCc1c(F)cccc1F)Cc1ccc(N(C)C)cc1 ZINC000743841780 868440776 /nfs/dbraw/zinc/44/07/76/868440776.db2.gz WWUBJNHOGZWAQT-UHFFFAOYSA-N 0 1 389.490 3.600 20 10 GHCDMN CCc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000857473230 882287553 /nfs/dbraw/zinc/28/75/53/882287553.db2.gz UTLDSLVZXUIHOV-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN CCc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000857473230 882287559 /nfs/dbraw/zinc/28/75/59/882287559.db2.gz UTLDSLVZXUIHOV-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN CCc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000857473230 882287563 /nfs/dbraw/zinc/28/75/63/882287563.db2.gz UTLDSLVZXUIHOV-HXUWFJFHSA-N 0 1 386.923 3.931 20 10 GHCDMN CN(C)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1 ZINC000745292307 869461828 /nfs/dbraw/zinc/46/18/28/869461828.db2.gz MDBRJVWEFAIERI-FQEVSTJZSA-N 0 1 385.483 3.512 20 10 GHCDMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(Br)c2)c1 ZINC001192805486 870684212 /nfs/dbraw/zinc/68/42/12/870684212.db2.gz IVOKUQBCAQBGIF-UHFFFAOYSA-N 0 1 386.267 3.527 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000115657785 882582290 /nfs/dbraw/zinc/58/22/90/882582290.db2.gz FZMHLXOUUQDPLA-UHFFFAOYSA-N 0 1 398.526 3.664 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000766941514 872102334 /nfs/dbraw/zinc/10/23/34/872102334.db2.gz WREWHWIDUPCHSE-FQEVSTJZSA-N 0 1 380.460 3.517 20 10 GHCDMN c1c(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc2ccccn12 ZINC000768214527 873170101 /nfs/dbraw/zinc/17/01/01/873170101.db2.gz DGZPXBLNHGNEJR-UHFFFAOYSA-N 0 1 389.547 3.642 20 10 GHCDMN Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000768915855 873686063 /nfs/dbraw/zinc/68/60/63/873686063.db2.gz NKSDLGGVNJLZOV-MRXNPFEDSA-N 0 1 378.925 3.739 20 10 GHCDMN CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)c(O)c1 ZINC000769483205 874065029 /nfs/dbraw/zinc/06/50/29/874065029.db2.gz HANRWULDCBUZQR-CRAIPNDOSA-N 0 1 378.513 3.916 20 10 GHCDMN COCCCOC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769464766 874089046 /nfs/dbraw/zinc/08/90/46/874089046.db2.gz ACGBLTQQMVCRGT-UHFFFAOYSA-N 0 1 391.512 3.603 20 10 GHCDMN CN(C)c1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1F ZINC000769527218 874134104 /nfs/dbraw/zinc/13/41/04/874134104.db2.gz CCPFNIWMHDLNJW-SFHVURJKSA-N 0 1 381.289 3.820 20 10 GHCDMN Oc1ccccc1CN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000770510434 874714188 /nfs/dbraw/zinc/71/41/88/874714188.db2.gz LQFJMOWVZHZXTL-UHFFFAOYSA-N 0 1 383.492 3.973 20 10 GHCDMN Cc1ccc2[nH]cc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c(=O)c2c1 ZINC000804444234 882885147 /nfs/dbraw/zinc/88/51/47/882885147.db2.gz QZGKCENWSQXULQ-UHFFFAOYSA-N 0 1 388.423 3.978 20 10 GHCDMN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771518014 875308705 /nfs/dbraw/zinc/30/87/05/875308705.db2.gz LJYSZSWUGVPIKE-FQEVSTJZSA-N 0 1 384.911 3.678 20 10 GHCDMN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771521085 875310375 /nfs/dbraw/zinc/31/03/75/875310375.db2.gz QBGCMJJVLNTHEO-JOCHJYFZSA-N 0 1 378.520 3.661 20 10 GHCDMN CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(N(C)C)cc1 ZINC000771791344 875462492 /nfs/dbraw/zinc/46/24/92/875462492.db2.gz OFMMSCYCBCEFNU-UHFFFAOYSA-N 0 1 385.556 3.633 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000850503398 876978031 /nfs/dbraw/zinc/97/80/31/876978031.db2.gz WLEHDOAZEIWCRU-ZFZWDLNGSA-N 0 1 386.330 3.762 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Br)cn1 ZINC000850568281 877036045 /nfs/dbraw/zinc/03/60/45/877036045.db2.gz UOOIQLCLNRAZKX-CQSZACIVSA-N 0 1 390.325 3.656 20 10 GHCDMN O=C(c1cc(C2CCCCC2)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179504546 877661263 /nfs/dbraw/zinc/66/12/63/877661263.db2.gz DWXVMPGPYDKEOJ-GOSISDBHSA-N 0 1 383.492 3.984 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000746778162 878504442 /nfs/dbraw/zinc/50/44/42/878504442.db2.gz TZVUHUKGPXOSCZ-FZKQIMNGSA-N 0 1 391.899 3.717 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000853634244 879192524 /nfs/dbraw/zinc/19/25/24/879192524.db2.gz NSTAECWRLGUXCK-AVRDEDQJSA-N 0 1 386.536 3.582 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)Nc3ccsc3)cc2F)CC1 ZINC000790320429 879597399 /nfs/dbraw/zinc/59/73/99/879597399.db2.gz IYPUAWYSJUYIEQ-UHFFFAOYSA-N 0 1 378.542 3.516 20 10 GHCDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2SC)cc1OC ZINC000790345700 879615363 /nfs/dbraw/zinc/61/53/63/879615363.db2.gz BMTZJFNXPVTDBM-UHFFFAOYSA-N 0 1 389.882 3.586 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC2(F)F)C1 ZINC000452812819 880051751 /nfs/dbraw/zinc/05/17/51/880051751.db2.gz GSKTVRZDBLGDPA-INIZCTEOSA-N 0 1 389.490 3.959 20 10 GHCDMN C[C@H](O)[C@@](C)(C[NH2+]Cc1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000791002446 880128550 /nfs/dbraw/zinc/12/85/50/880128550.db2.gz ICTRYDKFSLQMDV-IFXJQAMLSA-N 0 1 378.310 3.874 20 10 GHCDMN CCO[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C[C@@H]1C ZINC000452867462 880133724 /nfs/dbraw/zinc/13/37/24/880133724.db2.gz ONOJSCKCFCTLDI-FDDCHVKYSA-N 0 1 397.563 3.681 20 10 GHCDMN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000776807537 880449899 /nfs/dbraw/zinc/44/98/99/880449899.db2.gz JFZWUPWDGOVWBX-CHWSQXEVSA-N 0 1 385.302 3.501 20 10 GHCDMN CCCN(Cc1ccccc1O)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000772798059 881182717 /nfs/dbraw/zinc/18/27/17/881182717.db2.gz NIFXVRZDOWJPDA-KRWDZBQOSA-N 0 1 377.282 3.593 20 10 GHCDMN O=C1/C(=C\c2cc(O)ccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)cc1 ZINC000772805156 881269011 /nfs/dbraw/zinc/26/90/11/881269011.db2.gz FXJZDNNWDRIOOM-RIYZIHGNSA-N 0 1 376.390 3.845 20 10 GHCDMN O=C(NCc1ccc2c(c1)OCCCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000805056866 883565456 /nfs/dbraw/zinc/56/54/56/883565456.db2.gz LQQRPTINQQCNGD-UHFFFAOYSA-N 0 1 397.258 3.860 20 10 GHCDMN CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(Br)ccc3[O-])CC2)C1=O ZINC001275241877 912797286 /nfs/dbraw/zinc/79/72/86/912797286.db2.gz LLIFDQZWROCDLX-CQSZACIVSA-N 0 1 395.341 3.768 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2[O-])N1CCC(F)(F)F ZINC001275247550 912819406 /nfs/dbraw/zinc/81/94/06/912819406.db2.gz BQLONGNONSEPQR-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)ccc2[O-])N1CCC(F)(F)F ZINC001275247550 912819426 /nfs/dbraw/zinc/81/94/26/912819426.db2.gz BQLONGNONSEPQR-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000806188027 884428519 /nfs/dbraw/zinc/42/85/19/884428519.db2.gz NHJSFJTVIFDASM-UHFFFAOYSA-N 0 1 382.247 3.689 20 10 GHCDMN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001142534626 884605103 /nfs/dbraw/zinc/60/51/03/884605103.db2.gz QEJYHDUHUSTCSP-LQDVMPOASA-N 0 1 382.451 3.938 20 10 GHCDMN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806493866 884738756 /nfs/dbraw/zinc/73/87/56/884738756.db2.gz GQZQKBARFOOQFT-CYBMUJFWSA-N 0 1 385.251 3.606 20 10 GHCDMN CCCOc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807513284 885498358 /nfs/dbraw/zinc/49/83/58/885498358.db2.gz XYAWNLCDLQYCJX-UHFFFAOYSA-N 0 1 397.258 3.743 20 10 GHCDMN Cc1cc(CN2CCN(Cc3c4c(ccc3O)oc3c4CCCC3)CC2)no1 ZINC000054441347 885640077 /nfs/dbraw/zinc/64/00/77/885640077.db2.gz IWSUPSRFYZHNBG-UHFFFAOYSA-N 0 1 381.476 3.631 20 10 GHCDMN Cc1cc(CN2CC[NH+](Cc3c4c(ccc3[O-])oc3c4CCCC3)CC2)no1 ZINC000054441347 885640079 /nfs/dbraw/zinc/64/00/79/885640079.db2.gz IWSUPSRFYZHNBG-UHFFFAOYSA-N 0 1 381.476 3.631 20 10 GHCDMN CCCNC(=O)c1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807840064 885771542 /nfs/dbraw/zinc/77/15/42/885771542.db2.gz WWKVBISHSCBYHJ-UHFFFAOYSA-N 0 1 381.259 3.769 20 10 GHCDMN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837542 885800895 /nfs/dbraw/zinc/80/08/95/885800895.db2.gz UXPLZMVGYKBWOS-UHFFFAOYSA-N 0 1 397.287 3.794 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000807837405 885802327 /nfs/dbraw/zinc/80/23/27/885802327.db2.gz OONOYAPRXLMFCR-CQSZACIVSA-N 0 1 397.233 3.507 20 10 GHCDMN Cc1nc(-c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)n[nH]1 ZINC000807838827 885804496 /nfs/dbraw/zinc/80/44/96/885804496.db2.gz RRSMXKVWNSTZNI-UHFFFAOYSA-N 0 1 377.231 3.723 20 10 GHCDMN Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1Br ZINC000919850521 886535549 /nfs/dbraw/zinc/53/55/49/886535549.db2.gz VYUINSRHVKAEBD-UHFFFAOYSA-N 0 1 379.302 3.597 20 10 GHCDMN COc1ccc(NCc2ccc(F)c(F)c2O)c(I)c1 ZINC000864034493 887525451 /nfs/dbraw/zinc/52/54/51/887525451.db2.gz LOULYQYUXNRXDN-UHFFFAOYSA-N 0 1 391.155 3.896 20 10 GHCDMN COc1cc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)ccc1Cl ZINC000864355235 887722043 /nfs/dbraw/zinc/72/20/43/887722043.db2.gz FLUCGQBIRPRMIR-GDNBJRDFSA-N 0 1 382.938 3.644 20 10 GHCDMN COc1cccc(CN(CC[NH+](C)C)Cc2cccc(Br)c2O)c1 ZINC000809751034 887788490 /nfs/dbraw/zinc/78/84/90/887788490.db2.gz ACNZLWUYENCZAG-UHFFFAOYSA-N 0 1 393.325 3.727 20 10 GHCDMN O=S(=O)(CC1Cc2ccccc2C1)NCc1cc(Cl)cc(Cl)c1O ZINC000809846360 887861200 /nfs/dbraw/zinc/86/12/00/887861200.db2.gz GWGCJXLRIODUEP-UHFFFAOYSA-N 0 1 386.300 3.533 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1cc(Br)ccc1[O-] ZINC000810261231 888323876 /nfs/dbraw/zinc/32/38/76/888323876.db2.gz UECFXRQYYFIIJK-CQSZACIVSA-N 0 1 381.270 3.808 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239050 888337718 /nfs/dbraw/zinc/33/77/18/888337718.db2.gz RCKZYDHJULVUES-INIZCTEOSA-N 0 1 380.414 3.911 20 10 GHCDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000794867179 888566215 /nfs/dbraw/zinc/56/62/15/888566215.db2.gz VCHJCXBPELTHTB-UHFFFAOYSA-N 0 1 380.422 3.542 20 10 GHCDMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154114747 889280753 /nfs/dbraw/zinc/28/07/53/889280753.db2.gz AVCOPEJTTOJVQQ-QGZVFWFLSA-N 0 1 390.524 3.941 20 10 GHCDMN Cc1cc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ns1 ZINC000774776063 913361731 /nfs/dbraw/zinc/36/17/31/913361731.db2.gz PXXFQZGXCVDHTC-UHFFFAOYSA-N 0 1 383.517 3.916 20 10 GHCDMN C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(N2CCOCC2)cc1Cl ZINC000812736912 890917733 /nfs/dbraw/zinc/91/77/33/890917733.db2.gz FNCHQQANTWMKEV-OAHLLOKOSA-N 0 1 384.911 3.914 20 10 GHCDMN C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)c(Cl)c1O ZINC000812741141 890923454 /nfs/dbraw/zinc/92/34/54/890923454.db2.gz KNCUGTIQCDNRSR-GFCCVEGCSA-N 0 1 394.302 3.804 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000917089955 891080939 /nfs/dbraw/zinc/08/09/39/891080939.db2.gz QBRYSVJDGKRJLJ-HXUWFJFHSA-N 0 1 395.547 3.702 20 10 GHCDMN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000917141107 891456668 /nfs/dbraw/zinc/45/66/68/891456668.db2.gz KQMNEDNUROSKFV-SFHVURJKSA-N 0 1 399.510 3.566 20 10 GHCDMN CN(Cc1ccc(Br)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000067651402 891597735 /nfs/dbraw/zinc/59/77/35/891597735.db2.gz VKSRAIGKNYIMPB-UHFFFAOYSA-N 0 1 381.339 3.979 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CCCC1 ZINC000813488646 891689488 /nfs/dbraw/zinc/68/94/88/891689488.db2.gz BCVJDCKVBOUGAW-HNNXBMFYSA-N 0 1 386.870 3.952 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000825699177 891844751 /nfs/dbraw/zinc/84/47/51/891844751.db2.gz SPLLIIPGBJAIRV-AEFFLSMTSA-N 0 1 380.257 3.550 20 10 GHCDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000813682555 891874272 /nfs/dbraw/zinc/87/42/72/891874272.db2.gz FRVHXBYPMUNNGQ-UHFFFAOYSA-N 0 1 391.157 3.744 20 10 GHCDMN COc1cccc(-c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3O)no2)c1 ZINC000813683746 891875469 /nfs/dbraw/zinc/87/54/69/891875469.db2.gz BKDYFSBRMSJFQE-UHFFFAOYSA-N 0 1 394.214 3.688 20 10 GHCDMN CC1CCN(c2ccc(CNCc3cnnn3Cc3ccccc3)cc2)CC1 ZINC000813772052 891954765 /nfs/dbraw/zinc/95/47/65/891954765.db2.gz QMUPULXYKLJKTQ-UHFFFAOYSA-N 0 1 375.520 3.853 20 10 GHCDMN CN(C)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1F ZINC000813792596 891981220 /nfs/dbraw/zinc/98/12/20/891981220.db2.gz SEZLBNUTSVEQOZ-INIZCTEOSA-N 0 1 385.252 3.617 20 10 GHCDMN COc1ccc(N2CCN([C@@H]3CCc4cc(F)cc(F)c4C3)CC2)c(OC)c1 ZINC001170716060 892089485 /nfs/dbraw/zinc/08/94/85/892089485.db2.gz OOIAUPLUTSRTLH-QGZVFWFLSA-N 0 1 388.458 3.662 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825900597 893316498 /nfs/dbraw/zinc/31/64/98/893316498.db2.gz OFFZYOPHBWBKCN-QWRGUYRKSA-N 0 1 382.917 3.521 20 10 GHCDMN Cc1ccc(O)c(CNCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 ZINC000877653092 893744688 /nfs/dbraw/zinc/74/46/88/893744688.db2.gz XSCHZXURJTZWLC-UHFFFAOYSA-N 0 1 375.469 3.738 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869577 913840342 /nfs/dbraw/zinc/84/03/42/913840342.db2.gz MOYJAXBUIIDSEQ-PXNSSMCTSA-N 0 1 386.448 3.909 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@H]1n1cccn1 ZINC000826089637 894811079 /nfs/dbraw/zinc/81/10/79/894811079.db2.gz MAIXIIVAZVFBFM-USXIJHARSA-N 0 1 394.313 3.638 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](F)Cc1ccccc1 ZINC000778391686 894865564 /nfs/dbraw/zinc/86/55/64/894865564.db2.gz WTKNHZHPMFMYAS-MOPGFXCFSA-N 0 1 390.886 3.707 20 10 GHCDMN CSCc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000879194953 894893425 /nfs/dbraw/zinc/89/34/25/894893425.db2.gz JRBOMOKXFDJNTP-UHFFFAOYSA-N 0 1 384.549 3.623 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(Cc3cncs3)no2)C1 ZINC000564757112 895227122 /nfs/dbraw/zinc/22/71/22/895227122.db2.gz UYMBWSIQXBYLSA-UHFFFAOYSA-N 0 1 393.516 3.886 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC2CC(F)(F)C2)C1 ZINC000568022788 897541845 /nfs/dbraw/zinc/54/18/45/897541845.db2.gz DVXLWIWVHJWFIK-UHFFFAOYSA-N 0 1 375.463 3.569 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000778642315 897813197 /nfs/dbraw/zinc/81/31/97/897813197.db2.gz CTBKAURJLUSNFG-HOCLYGCPSA-N 0 1 389.883 3.954 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001136569284 898276299 /nfs/dbraw/zinc/27/62/99/898276299.db2.gz MPKYAOJSICGBTL-UHFFFAOYSA-N 0 1 377.473 3.871 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001136569284 898276317 /nfs/dbraw/zinc/27/63/17/898276317.db2.gz MPKYAOJSICGBTL-UHFFFAOYSA-N 0 1 377.473 3.871 20 10 GHCDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109772261 898588505 /nfs/dbraw/zinc/58/85/05/898588505.db2.gz TZYHZLCZJOJGCJ-QGZVFWFLSA-N 0 1 378.476 3.654 20 10 GHCDMN CCCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823386412 899002836 /nfs/dbraw/zinc/00/28/36/899002836.db2.gz GNIACOMUBJRFFF-IBGZPJMESA-N 0 1 392.590 3.784 20 10 GHCDMN Cc1cnc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 ZINC000824065702 899378483 /nfs/dbraw/zinc/37/84/83/899378483.db2.gz CKHCMLKHILCUGA-QGZVFWFLSA-N 0 1 390.553 3.873 20 10 GHCDMN CC(C)c1c[nH]nc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000570676825 899500427 /nfs/dbraw/zinc/50/04/27/899500427.db2.gz CPVSHHBZRMWPBN-UHFFFAOYSA-N 0 1 379.508 3.893 20 10 GHCDMN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824561035 899688775 /nfs/dbraw/zinc/68/87/75/899688775.db2.gz OZPBRCKAMDTGDF-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN C[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000824771157 899797291 /nfs/dbraw/zinc/79/72/91/899797291.db2.gz PSVJLPMPZPPQDX-INIZCTEOSA-N 0 1 386.459 3.731 20 10 GHCDMN C[C@@H](c1ccccc1)[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000824771157 899797301 /nfs/dbraw/zinc/79/73/01/899797301.db2.gz PSVJLPMPZPPQDX-INIZCTEOSA-N 0 1 386.459 3.731 20 10 GHCDMN C[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000824771157 899797310 /nfs/dbraw/zinc/79/73/10/899797310.db2.gz PSVJLPMPZPPQDX-INIZCTEOSA-N 0 1 386.459 3.731 20 10 GHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1C ZINC000824815708 899823337 /nfs/dbraw/zinc/82/33/37/899823337.db2.gz XDAJBUWHJYRDNZ-ZANVPECISA-N 0 1 393.119 3.774 20 10 GHCDMN CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825121863 899992710 /nfs/dbraw/zinc/99/27/10/899992710.db2.gz VGRGGDMPYDGZNI-ZDUSSCGKSA-N 0 1 391.309 3.973 20 10 GHCDMN COc1ccccc1N1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825166759 900007043 /nfs/dbraw/zinc/00/70/43/900007043.db2.gz DBVITGXXJMOKIY-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000775013236 914504304 /nfs/dbraw/zinc/50/43/04/914504304.db2.gz YNRYEGZKQHGMGV-QGZVFWFLSA-N 0 1 399.535 3.515 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000222024896 901540369 /nfs/dbraw/zinc/54/03/69/901540369.db2.gz KDFGGXKYEYGSMM-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)c(F)cc3[O-])CC2)n1 ZINC001144306577 901685926 /nfs/dbraw/zinc/68/59/26/901685926.db2.gz HQLXMZIZPLRSEC-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN COc1cc(F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000845903047 902516254 /nfs/dbraw/zinc/51/62/54/902516254.db2.gz LCRIZQMZKAILEJ-QGZVFWFLSA-N 0 1 375.440 3.730 20 10 GHCDMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)n1 ZINC000779002265 902697165 /nfs/dbraw/zinc/69/71/65/902697165.db2.gz WZYNTAALIFZZMI-INIZCTEOSA-N 0 1 394.302 3.797 20 10 GHCDMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129475395 902813452 /nfs/dbraw/zinc/81/34/52/902813452.db2.gz GQIXCVTWHJXBQJ-KRWDZBQOSA-N 0 1 380.467 3.699 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1)cc2=O ZINC000846257580 902831131 /nfs/dbraw/zinc/83/11/31/902831131.db2.gz SCSDFXACOIIUAH-LENZSSGSSA-N 0 1 392.459 3.591 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2Br)ccc1O ZINC001186717452 914773854 /nfs/dbraw/zinc/77/38/54/914773854.db2.gz FKJHHVFCUNPJAR-UHFFFAOYSA-N 0 1 378.194 3.542 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)S[C@H](C)C2)C1 ZINC001148589505 904130493 /nfs/dbraw/zinc/13/04/93/904130493.db2.gz ZNRKJFPFORSIRF-IAGOWNOFSA-N 0 1 385.577 3.760 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1[O-] ZINC000184967436 907689162 /nfs/dbraw/zinc/68/91/62/907689162.db2.gz ZAIPRADJRHLQLG-LBPRGKRZSA-N 0 1 393.281 3.703 20 10 GHCDMN O=C(c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1)N1CCOCC1 ZINC000195092509 908965363 /nfs/dbraw/zinc/96/53/63/908965363.db2.gz COVPKYPBGRNHGC-UHFFFAOYSA-N 0 1 381.259 3.784 20 10 GHCDMN COc1cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(O)c(C(C)(C)C)c1 ZINC001179353219 909479865 /nfs/dbraw/zinc/47/98/65/909479865.db2.gz PDWPRMXUPMTANL-OAQYLSRUSA-N 0 1 388.464 3.604 20 10 GHCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC001179966351 909872925 /nfs/dbraw/zinc/87/29/25/909872925.db2.gz KMQMFTZJGJADKZ-LBPRGKRZSA-N 0 1 391.336 3.561 20 10 GHCDMN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001180882480 910414029 /nfs/dbraw/zinc/41/40/29/910414029.db2.gz BKGLMFMXYIHJJE-OAQYLSRUSA-N 0 1 375.415 3.811 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001181514576 910816865 /nfs/dbraw/zinc/81/68/65/910816865.db2.gz LBJVWRSSDPFNQX-SFHVURJKSA-N 0 1 385.464 3.718 20 10 GHCDMN CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001181590748 910850464 /nfs/dbraw/zinc/85/04/64/910850464.db2.gz PIOZRNSPACEGIP-HNNXBMFYSA-N 0 1 399.329 3.906 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000774202805 911483407 /nfs/dbraw/zinc/48/34/07/911483407.db2.gz CVQUGCHWZWWTQI-BCDXTJNWSA-N 0 1 384.520 3.907 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCc4cc(C)ccc43)cc2F)CC1 ZINC000774206961 911490185 /nfs/dbraw/zinc/49/01/85/911490185.db2.gz HWIQAJHWCLAFFA-UHFFFAOYSA-N 0 1 396.510 3.548 20 10 GHCDMN FC(F)n1ccnc1CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092614377 911652383 /nfs/dbraw/zinc/65/23/83/911652383.db2.gz OVMWRWREVANHDV-UHFFFAOYSA-N 0 1 389.494 3.586 20 10 GHCDMN COc1ccc(F)cc1CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001308652882 915149967 /nfs/dbraw/zinc/14/99/67/915149967.db2.gz YXADUIUIKJYUMF-UHFFFAOYSA-N 0 1 382.838 3.650 20 10 GHCDMN CN1CCO[C@H]([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])c2ccc(Cl)cc2)C1 ZINC000252736497 915477157 /nfs/dbraw/zinc/47/71/57/915477157.db2.gz WWZKCWFVXHBPLN-OALUTQOASA-N 0 1 381.303 3.861 20 10 GHCDMN CN(C)c1cccc(NS(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1 ZINC001188242624 915819739 /nfs/dbraw/zinc/81/97/39/915819739.db2.gz SCHGIEQXOKFACV-UHFFFAOYSA-N 0 1 379.791 3.621 20 10 GHCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])nc(N2CCCC2)n1 ZINC000293879877 916442124 /nfs/dbraw/zinc/44/21/24/916442124.db2.gz YQXKQXXFYXXMGD-ZDUSSCGKSA-N 0 1 391.313 3.704 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837332 918348884 /nfs/dbraw/zinc/34/88/84/918348884.db2.gz HWHNKMDVYOYRKO-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837332 918348903 /nfs/dbraw/zinc/34/89/03/918348903.db2.gz HWHNKMDVYOYRKO-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893380 919291882 /nfs/dbraw/zinc/29/18/82/919291882.db2.gz XGPQFPJBEMCLSX-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275893380 919291902 /nfs/dbraw/zinc/29/19/02/919291902.db2.gz XGPQFPJBEMCLSX-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc2cncn2c1 ZINC000297926477 919968309 /nfs/dbraw/zinc/96/83/09/919968309.db2.gz UFTQCJZCSXYMFH-UHFFFAOYSA-N 0 1 377.492 3.666 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccsc3)cc2F)CC1 ZINC000801066400 920754531 /nfs/dbraw/zinc/75/45/31/920754531.db2.gz UFSOKZBRIITMHB-HNNXBMFYSA-N 0 1 390.528 3.590 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1[O-] ZINC000802658822 922317267 /nfs/dbraw/zinc/31/72/67/922317267.db2.gz RCTCUWNFBPGJBS-SFESLNEESA-N 0 1 376.298 3.799 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC000802658822 922317281 /nfs/dbraw/zinc/31/72/81/922317281.db2.gz RCTCUWNFBPGJBS-SFESLNEESA-N 0 1 376.298 3.799 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802658982 922318080 /nfs/dbraw/zinc/31/80/80/922318080.db2.gz BZVXWTJASCRZFB-UHFFFAOYSA-N 0 1 399.292 3.900 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000802658982 922318086 /nfs/dbraw/zinc/31/80/86/922318086.db2.gz BZVXWTJASCRZFB-UHFFFAOYSA-N 0 1 399.292 3.900 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC2CCC(=O)CC2)C1 ZINC000803479972 923031512 /nfs/dbraw/zinc/03/15/12/923031512.db2.gz QZVCWLJGVISSFU-UHFFFAOYSA-N 0 1 382.504 3.710 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827196158 924996363 /nfs/dbraw/zinc/99/63/63/924996363.db2.gz FXZNNXVHRKBWBC-FUHWJXTLSA-N 0 1 376.294 3.753 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000827196158 924996370 /nfs/dbraw/zinc/99/63/70/924996370.db2.gz FXZNNXVHRKBWBC-FUHWJXTLSA-N 0 1 376.294 3.753 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN(C)CCc2cccc3ccccc32)cc1 ZINC000725802889 926447736 /nfs/dbraw/zinc/44/77/36/926447736.db2.gz OZVUZECXUHWFOY-UHFFFAOYSA-N 0 1 375.516 3.697 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cc4c(C)nn(C)c4nc3Cl)CC2)cc1 ZINC000749903840 927340639 /nfs/dbraw/zinc/34/06/39/927340639.db2.gz SJXKUJFCDFOREO-UHFFFAOYSA-N 0 1 399.926 3.651 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000751435064 928190248 /nfs/dbraw/zinc/19/02/48/928190248.db2.gz LZWKHGYQPRKLFV-UHFFFAOYSA-N 0 1 383.883 3.885 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000758527714 930071497 /nfs/dbraw/zinc/07/14/97/930071497.db2.gz LBSVGCKUWPLCJZ-CYBMUJFWSA-N 0 1 384.701 3.749 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000759641666 930435733 /nfs/dbraw/zinc/43/57/33/930435733.db2.gz FGLRPZRNERXUBZ-SFHVURJKSA-N 0 1 385.527 3.851 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1cc(Br)ccc1[O-] ZINC000784055302 931768371 /nfs/dbraw/zinc/76/83/71/931768371.db2.gz BKXBMOJUMYDALO-MRXNPFEDSA-N 0 1 393.329 3.896 20 10 GHCDMN CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000784546713 931931679 /nfs/dbraw/zinc/93/16/79/931931679.db2.gz XCCMKDZGTPZNHB-UHFFFAOYSA-N 0 1 399.510 3.795 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000784675908 931975462 /nfs/dbraw/zinc/97/54/62/931975462.db2.gz ONPRMGMPMRIXLL-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797604402 932342208 /nfs/dbraw/zinc/34/22/08/932342208.db2.gz FJTHDNFUJQPWIM-QWQRMKEZSA-N 0 1 384.314 3.622 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001116875216 933805738 /nfs/dbraw/zinc/80/57/38/933805738.db2.gz CFHSEVRTGVPBRU-CDNVCLAFSA-N 0 1 389.293 3.828 20 10 GHCDMN CCc1nc(C)c(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000561977394 934603040 /nfs/dbraw/zinc/60/30/40/934603040.db2.gz XJMWXSBSVUSSQF-UHFFFAOYSA-N 0 1 394.519 3.583 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828448492 935634341 /nfs/dbraw/zinc/63/43/41/935634341.db2.gz GDLZQOFJGSTGOK-ROUUACIJSA-N 0 1 385.483 3.559 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001137836003 935815289 /nfs/dbraw/zinc/81/52/89/935815289.db2.gz SBHCEGNGWAZAPB-JOCHJYFZSA-N 0 1 388.458 3.789 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001137836294 935815572 /nfs/dbraw/zinc/81/55/72/935815572.db2.gz XYUYXEZAIIFONV-YADHBBJMSA-N 0 1 386.467 3.514 20 10 GHCDMN CC1CCC(N2CCN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC2)CC1 ZINC000829759593 935857067 /nfs/dbraw/zinc/85/70/67/935857067.db2.gz VLTMNCCUHYLZJR-UHFFFAOYSA-N 0 1 398.576 3.653 20 10 GHCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001595191703 952285210 /nfs/dbraw/zinc/28/52/10/952285210.db2.gz ZPTZLZMBHCGCBR-LSDHHAIUSA-N 0 1 394.240 3.594 20 10 GHCDMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)C[C@H]1c1ccccc1 ZINC001595191703 952285220 /nfs/dbraw/zinc/28/52/20/952285220.db2.gz ZPTZLZMBHCGCBR-LSDHHAIUSA-N 0 1 394.240 3.594 20 10 GHCDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001589001068 984942331 /nfs/dbraw/zinc/94/23/31/984942331.db2.gz GFBLHHDLWCQYKO-QPEQYQDCSA-N 0 1 390.823 3.944 20 10 GHCDMN COC(=O)C(C)(C)C[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])CC(C)C ZINC001598684912 994991909 /nfs/dbraw/zinc/99/19/09/994991909.db2.gz UHBNDJQFFUHXHB-UHFFFAOYSA-N 0 1 392.471 3.673 20 10 GHCDMN CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599083344 997047531 /nfs/dbraw/zinc/04/75/31/997047531.db2.gz IAPQHCJCGPODPP-KRWDZBQOSA-N 0 1 388.361 3.559 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(OC2CCC(F)(F)CC2)c1O ZINC001227494136 1032441122 /nfs/dbraw/zinc/44/11/22/1032441122.db2.gz QKYRLXITBYQYBQ-UHFFFAOYSA-N 0 1 378.393 3.764 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001277232534 1032520672 /nfs/dbraw/zinc/52/06/72/1032520672.db2.gz SSADCXPBWGTEEU-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCC(C)(C)C3)cc2F)CC1 ZINC001221805123 1032540555 /nfs/dbraw/zinc/54/05/55/1032540555.db2.gz KNWRZBGGBFVGHI-SFHVURJKSA-N 0 1 390.547 3.736 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)C[C@H]1c1ccccc1 ZINC001204277845 1032719872 /nfs/dbraw/zinc/71/98/72/1032719872.db2.gz MCXVBPWCZFTNJG-IBGZPJMESA-N 0 1 384.476 3.892 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000562467893 1018185541 /nfs/dbraw/zinc/18/55/41/1018185541.db2.gz MMFAHMWWBUTDMK-UHFFFAOYSA-N 0 1 393.535 3.998 20 10 GHCDMN COc1cnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000562696447 1018544200 /nfs/dbraw/zinc/54/42/00/1018544200.db2.gz MRSHSLOZCBOHBX-UHFFFAOYSA-N 0 1 384.505 3.512 20 10 GHCDMN COc1cc(CN2CCC(c3nnc(-c4ccccc4)o3)CC2)cc(O)c1O ZINC001204341433 1032782731 /nfs/dbraw/zinc/78/27/31/1032782731.db2.gz CFQBEFIGYLBONZ-UHFFFAOYSA-N 0 1 381.432 3.536 20 10 GHCDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1)C2 ZINC001228111640 1032789009 /nfs/dbraw/zinc/78/90/09/1032789009.db2.gz WPVXERIDFRSTOQ-VQFNDLOPSA-N 0 1 397.471 3.817 20 10 GHCDMN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C2 ZINC001228111640 1032789021 /nfs/dbraw/zinc/78/90/21/1032789021.db2.gz WPVXERIDFRSTOQ-VQFNDLOPSA-N 0 1 397.471 3.817 20 10 GHCDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C2 ZINC001228111640 1032789036 /nfs/dbraw/zinc/78/90/36/1032789036.db2.gz WPVXERIDFRSTOQ-VQFNDLOPSA-N 0 1 397.471 3.817 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000574234383 1019855553 /nfs/dbraw/zinc/85/55/53/1019855553.db2.gz OTZABXMQMLIOCI-UHFFFAOYSA-N 0 1 395.532 3.775 20 10 GHCDMN C[C@H](COc1ccccc1)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228518029 1032967323 /nfs/dbraw/zinc/96/73/23/1032967323.db2.gz BSLSNOZQBKHMQD-CYBMUJFWSA-N 0 1 396.395 3.586 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)C1 ZINC001140338139 1021441975 /nfs/dbraw/zinc/44/19/75/1021441975.db2.gz WNBAZZOQVSVRPT-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)C1 ZINC001140338139 1021441984 /nfs/dbraw/zinc/44/19/84/1021441984.db2.gz WNBAZZOQVSVRPT-FQEVSTJZSA-N 0 1 396.915 3.648 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338356 1021444987 /nfs/dbraw/zinc/44/49/87/1021444987.db2.gz GPNDJPSLLVPBPO-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338356 1021444999 /nfs/dbraw/zinc/44/49/99/1021444999.db2.gz GPNDJPSLLVPBPO-OAQYLSRUSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140340302 1021448060 /nfs/dbraw/zinc/44/80/60/1021448060.db2.gz UJLGGLUGEBMRLP-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN COCCC[N@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342378 1021455546 /nfs/dbraw/zinc/45/55/46/1021455546.db2.gz GZBNLRMGHDCDES-OAHLLOKOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1c([O-])cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342378 1021455554 /nfs/dbraw/zinc/45/55/54/1021455554.db2.gz GZBNLRMGHDCDES-OAHLLOKOSA-N 0 1 398.931 3.894 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001140345335 1021460030 /nfs/dbraw/zinc/46/00/30/1021460030.db2.gz RUPVUNIWWWPXCT-OZOXKJRCSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001140345335 1021460037 /nfs/dbraw/zinc/46/00/37/1021460037.db2.gz RUPVUNIWWWPXCT-OZOXKJRCSA-N 0 1 388.895 3.779 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Br)ccc1[O-] ZINC000834899457 1021645426 /nfs/dbraw/zinc/64/54/26/1021645426.db2.gz QCQBNWFZNSEGDC-DHSIGJKJSA-N 0 1 394.313 3.849 20 10 GHCDMN C[C@@H](NCc1c(F)cccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903728 1021652931 /nfs/dbraw/zinc/65/29/31/1021652931.db2.gz LXKFISTXKLJGPB-MRXNPFEDSA-N 0 1 398.457 3.838 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464926 1021756771 /nfs/dbraw/zinc/75/67/71/1021756771.db2.gz FDJKVGFDPDCEKB-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464926 1021756785 /nfs/dbraw/zinc/75/67/85/1021756785.db2.gz FDJKVGFDPDCEKB-JOCHJYFZSA-N 0 1 382.891 3.946 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](CC)c1ccc(Cl)s1)cc2=O ZINC000754323492 1022620687 /nfs/dbraw/zinc/62/06/87/1022620687.db2.gz BPAILLLPKHLZIM-LBPRGKRZSA-N 0 1 394.884 3.567 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140853107 1022703947 /nfs/dbraw/zinc/70/39/47/1022703947.db2.gz MGEHWLHVNCZOKR-MOPGFXCFSA-N 0 1 389.540 3.822 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140922518 1022892272 /nfs/dbraw/zinc/89/22/72/1022892272.db2.gz SMIMYTOIIZKYNQ-FQEVSTJZSA-N 0 1 379.932 3.991 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(CC2)OC(=O)Nc2ncccc23)c(Cl)c1 ZINC001140924023 1022900475 /nfs/dbraw/zinc/90/04/75/1022900475.db2.gz AXNLDSAGXUWHPQ-UHFFFAOYSA-N 0 1 386.883 3.854 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(Cl)c1 ZINC001140923713 1022900516 /nfs/dbraw/zinc/90/05/16/1022900516.db2.gz FHUUQTOESMODTP-FPOVZHCZSA-N 0 1 387.911 3.613 20 10 GHCDMN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1O ZINC001140957742 1022998440 /nfs/dbraw/zinc/99/84/40/1022998440.db2.gz MHPRVUATLLZZJE-LJQANCHMSA-N 0 1 399.487 3.770 20 10 GHCDMN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000756557905 1023712915 /nfs/dbraw/zinc/71/29/15/1023712915.db2.gz XUEDPEQKLLTONI-OAHLLOKOSA-N 0 1 385.485 3.679 20 10 GHCDMN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000756706484 1023782337 /nfs/dbraw/zinc/78/23/37/1023782337.db2.gz AEVBELHZCJXEAQ-LLVKDONJSA-N 0 1 381.226 3.793 20 10 GHCDMN C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(Br)cc1[O-] ZINC000756708894 1023783190 /nfs/dbraw/zinc/78/31/90/1023783190.db2.gz STJJPHIBUXSHAG-GFCCVEGCSA-N 0 1 395.272 3.765 20 10 GHCDMN CN1CCN(c2ccc(CNc3ncc4c(n3)-c3ccccc3CC4)cc2)CC1 ZINC001156658111 1033161397 /nfs/dbraw/zinc/16/13/97/1033161397.db2.gz SJCHEDVESOUNQK-UHFFFAOYSA-N 0 1 385.515 3.606 20 10 GHCDMN 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COC(=O)c1c[nH]c2ncnc(N[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)c12 ZINC001163488597 1026211483 /nfs/dbraw/zinc/21/14/83/1026211483.db2.gz XGZBOIXXKAGYPH-QGZVFWFLSA-N 0 1 380.448 3.802 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(CO)cc2)C1 ZINC001163500751 1026216365 /nfs/dbraw/zinc/21/63/65/1026216365.db2.gz YZOUEEXUJCKXEY-UHFFFAOYSA-N 0 1 377.488 3.539 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC001203562279 1027433715 /nfs/dbraw/zinc/43/37/15/1027433715.db2.gz GRDBULBIDKIJAE-RNCFNFMXSA-N 0 1 393.119 3.510 20 10 GHCDMN C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)CCC1=O ZINC001203564980 1027436614 /nfs/dbraw/zinc/43/66/14/1027436614.db2.gz ROJHSDJIMKADDW-SECBINFHSA-N 0 1 391.103 3.718 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]12CCN(Cc1cc(Br)ccc1O)C2 ZINC001203636300 1027494790 /nfs/dbraw/zinc/49/47/90/1027494790.db2.gz SSZCHKLBRLZTIX-GOSISDBHSA-N 0 1 397.313 3.740 20 10 GHCDMN CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001203643886 1027501514 /nfs/dbraw/zinc/50/15/14/1027501514.db2.gz QZMGXXNVAWVOTO-MRXNPFEDSA-N 0 1 398.341 3.810 20 10 GHCDMN COc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(Cl)ccc4[O-])C3)CC2=O)cc1 ZINC001203655693 1027509742 /nfs/dbraw/zinc/50/97/42/1027509742.db2.gz ANNASXFGYOPLAV-OAQYLSRUSA-N 0 1 386.879 3.683 20 10 GHCDMN COc1ccc(N2C[C@]3(CC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)CC2=O)cc1 ZINC001203655693 1027509750 /nfs/dbraw/zinc/50/97/50/1027509750.db2.gz ANNASXFGYOPLAV-OAQYLSRUSA-N 0 1 386.879 3.683 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC001203657727 1027514535 /nfs/dbraw/zinc/51/45/35/1027514535.db2.gz FKVUQMFCZCENJF-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC001203657727 1027514545 /nfs/dbraw/zinc/51/45/45/1027514545.db2.gz FKVUQMFCZCENJF-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203665892 1027518549 /nfs/dbraw/zinc/51/85/49/1027518549.db2.gz 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COc1cc(OCC[NH+](C)C)ccc1NCc1cccc(Br)c1[O-] ZINC000840958414 1027989522 /nfs/dbraw/zinc/98/95/22/1027989522.db2.gz KUCJNRCGCBPMSD-UHFFFAOYSA-N 0 1 395.297 3.716 20 10 GHCDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840997396 1028031328 /nfs/dbraw/zinc/03/13/28/1028031328.db2.gz CLUTVLCOGGGIIM-KRWDZBQOSA-N 0 1 381.314 3.879 20 10 GHCDMN CN1CCO[C@H]([C@H](NCc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)C1 ZINC001461403978 1069535988 /nfs/dbraw/zinc/53/59/88/1069535988.db2.gz BKPKLOFHIBYFTH-FCHUYYIVSA-N 0 1 386.923 3.827 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001142418167 1028861536 /nfs/dbraw/zinc/86/15/36/1028861536.db2.gz ALEIKBFBCDLQJY-CVDCTZTESA-N 0 1 379.548 3.773 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001142517399 1029022638 /nfs/dbraw/zinc/02/26/38/1029022638.db2.gz LZARBUXDAFTCBP-IBGZPJMESA-N 0 1 395.400 3.803 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142521100 1029024471 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Oc1cc2cc(-c3nc(-c4ncccc4/C=C/N4CCCC4)no3)[nH]c2cc1O ZINC001217474710 1030424547 /nfs/dbraw/zinc/42/45/47/1030424547.db2.gz PJGRINUNNNBMST-WEVVVXLNSA-N 0 1 389.415 3.758 20 10 GHCDMN CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Br)c2[O-])C1=O ZINC001276944674 1030875352 /nfs/dbraw/zinc/87/53/52/1030875352.db2.gz VRPMPAKEMYEBAC-GOSISDBHSA-N 0 1 399.304 3.661 20 10 GHCDMN CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(Br)c2[O-])C1=O ZINC001276944674 1030875366 /nfs/dbraw/zinc/87/53/66/1030875366.db2.gz VRPMPAKEMYEBAC-GOSISDBHSA-N 0 1 399.304 3.661 20 10 GHCDMN CCCCN1CC[C@]2(CCCN2Cc2cc(F)cc(Br)c2O)C1=O ZINC001276944674 1030875387 /nfs/dbraw/zinc/87/53/87/1030875387.db2.gz VRPMPAKEMYEBAC-GOSISDBHSA-N 0 1 399.304 3.661 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)cc(C)c2O)C1=O ZINC001276958563 1030941552 /nfs/dbraw/zinc/94/15/52/1030941552.db2.gz IMTHQGFMFIQOLQ-KUHUBIRLSA-N 0 1 395.341 3.829 20 10 GHCDMN Nc1ccc(N(C(=O)C[C@@H]2CNCC2(F)F)c2ccc3ccccc3c2N)cc1 ZINC001219476501 1031445258 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GHCDMN COc1ccc(Br)c(CN2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001231555782 1034708301 /nfs/dbraw/zinc/70/83/01/1034708301.db2.gz SISHXJIHKWKCFW-CQSZACIVSA-N 0 1 390.277 3.868 20 10 GHCDMN COc1ccc(Br)c(CN2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001231555070 1034708576 /nfs/dbraw/zinc/70/85/76/1034708576.db2.gz HSDSKQSILCFNMP-CYBMUJFWSA-N 0 1 393.281 3.520 20 10 GHCDMN Cn1cc2c(n1)CN(Cc1c(O)ccc3ccccc31)C[C@@H]2COCC1CC1 ZINC001231586838 1034739558 /nfs/dbraw/zinc/73/95/58/1034739558.db2.gz HDJWRQSGMWSROK-GOSISDBHSA-N 0 1 377.488 3.805 20 10 GHCDMN Cc1cccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1O ZINC001231593711 1034749000 /nfs/dbraw/zinc/74/90/00/1034749000.db2.gz ZDSUZHYRJFEEFN-FQEVSTJZSA-N 0 1 381.520 3.833 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001231849692 1034940825 /nfs/dbraw/zinc/94/08/25/1034940825.db2.gz WOXYYRWTELWDTA-SJORKVTESA-N 0 1 391.556 3.886 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)cc1Cl ZINC001231871939 1034958295 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c1ccn(-c2ccc(-c3nnc(Cc4nc(Cc5ccccc5)n[nH]4)o3)cc2)c1 ZINC001256957274 1043772583 /nfs/dbraw/zinc/77/25/83/1043772583.db2.gz OMSSYXIDAOKKID-UHFFFAOYSA-N 0 1 382.427 3.827 20 10 GHCDMN CN1CCN(c2ccc(-c3nnc(-c4ccc(-n5cccc5)cc4)o3)cc2)CC1 ZINC001256988082 1043787421 /nfs/dbraw/zinc/78/74/21/1043787421.db2.gz OGAPVYYDIZGQBN-UHFFFAOYSA-N 0 1 385.471 3.946 20 10 GHCDMN CCN(CC)[C@H](C(=O)NCc1c(O)cccc1O)c1cccc(C(F)(F)F)c1 ZINC001304053550 1047573783 /nfs/dbraw/zinc/57/37/83/1047573783.db2.gz NLUFUNCGHAGHTC-SFHVURJKSA-N 0 1 396.409 3.816 20 10 GHCDMN CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001307090450 1049067759 /nfs/dbraw/zinc/06/77/59/1049067759.db2.gz KGKRSZNAFCBNIZ-KRWDZBQOSA-N 0 1 385.464 3.713 20 10 GHCDMN COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1S(C)(=O)=O ZINC001308435659 1049975590 /nfs/dbraw/zinc/97/55/90/1049975590.db2.gz BNDAWROFIDKLPI-UHFFFAOYSA-N 0 1 376.261 3.723 20 10 GHCDMN CCN(CC)CC(=O)Nc1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001329732086 1050894926 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10 GHCDMN O=C(NCc1cc(Cl)c2cccnc2c1O)c1cc(O)c(O)c(Cl)c1 ZINC001193626321 871195930 /nfs/dbraw/zinc/19/59/30/871195930.db2.gz UURVLUAZVZCZNZ-UHFFFAOYSA-N 0 1 379.199 3.588 20 10 GHCDMN O=C(Nc1ccc(Br)c2c[nH]nc21)c1cc(O)c(O)c(Cl)c1 ZINC001193626269 871195974 /nfs/dbraw/zinc/19/59/74/871195974.db2.gz XUILXSUQNDSTIX-UHFFFAOYSA-N 0 1 382.601 3.642 20 10 GHCDMN CCOC(=O)[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc2ccccc21 ZINC001193626350 871196430 /nfs/dbraw/zinc/19/64/30/871196430.db2.gz VDQLPKMDPCXQIR-GOSISDBHSA-N 0 1 399.830 3.939 20 10 GHCDMN COc1ccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000766760396 871664123 /nfs/dbraw/zinc/66/41/23/871664123.db2.gz ATKYOSIXYZSTMO-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN Cc1cccc(NC(=O)N2CCN(Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC000775669791 872633409 /nfs/dbraw/zinc/63/34/09/872633409.db2.gz OYIKFKNUOVIKRR-UHFFFAOYSA-N 0 1 377.847 3.843 20 10 GHCDMN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775689366 872901483 /nfs/dbraw/zinc/90/14/83/872901483.db2.gz HRMFZNWCAZEKIB-GOSISDBHSA-N 0 1 399.293 3.689 20 10 GHCDMN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775716115 873103019 /nfs/dbraw/zinc/10/30/19/873103019.db2.gz PXSTYLKSOXPRTK-SFHVURJKSA-N 0 1 386.879 3.974 20 10 GHCDMN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000768345248 873267076 /nfs/dbraw/zinc/26/70/76/873267076.db2.gz QDMDLYUXBSJPIC-UHFFFAOYSA-N 0 1 399.329 3.891 20 10 GHCDMN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000775737982 873321951 /nfs/dbraw/zinc/32/19/51/873321951.db2.gz XPVDDKHCLAMVIK-QGZVFWFLSA-N 0 1 380.444 3.541 20 10 GHCDMN CC(C)c1ccnc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000768534797 873366982 /nfs/dbraw/zinc/36/69/82/873366982.db2.gz SBEVHQMRFDHQDL-UHFFFAOYSA-N 0 1 381.307 3.935 20 10 GHCDMN COc1ccc(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c(O)c1 ZINC000794372589 882732326 /nfs/dbraw/zinc/73/23/26/882732326.db2.gz BCRUTKXOGMFMFZ-UHFFFAOYSA-N 0 1 390.483 3.963 20 10 GHCDMN O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768916422 873684696 /nfs/dbraw/zinc/68/46/96/873684696.db2.gz QJQUJHVVWICNJZ-QGZVFWFLSA-N 0 1 394.849 3.647 20 10 GHCDMN Cc1cc(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)nn1-c1ccncc1 ZINC001197527849 873856477 /nfs/dbraw/zinc/85/64/77/873856477.db2.gz QOFIOJQBYDXOJV-OPMSBBQGSA-N 0 1 398.430 3.543 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000527995659 873863764 /nfs/dbraw/zinc/86/37/64/873863764.db2.gz AUGNJVKGRMNLHQ-GDBMZVCRSA-N 0 1 375.266 3.759 20 10 GHCDMN CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000769495953 874101592 /nfs/dbraw/zinc/10/15/92/874101592.db2.gz IHAYZOXVCHQDDU-LJQANCHMSA-N 0 1 376.447 3.948 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000769500294 874106088 /nfs/dbraw/zinc/10/60/88/874106088.db2.gz UQKOBPGVNRGAEA-OAHLLOKOSA-N 0 1 376.840 3.993 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCc2c1cnn2C ZINC000769536774 874141265 /nfs/dbraw/zinc/14/12/65/874141265.db2.gz FLCSTBDUTXAWML-GOSISDBHSA-N 0 1 383.496 3.828 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770385698 874669031 /nfs/dbraw/zinc/66/90/31/874669031.db2.gz JZRZAPWHKZWAPS-RYUDHWBXSA-N 0 1 399.875 3.689 20 10 GHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000858109001 882854980 /nfs/dbraw/zinc/85/49/80/882854980.db2.gz NWSSXMLGRMYGHT-HNNXBMFYSA-N 0 1 375.463 3.718 20 10 GHCDMN O=C([C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccncc31)CC2)N1CCCCC1 ZINC000770685115 874821547 /nfs/dbraw/zinc/82/15/47/874821547.db2.gz JMUINRFEHQIDKW-FQEVSTJZSA-N 0 1 379.504 3.555 20 10 GHCDMN CC(C)N(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000771796690 875465379 /nfs/dbraw/zinc/46/53/79/875465379.db2.gz VCKGASSZWOBAKJ-UHFFFAOYSA-N 0 1 389.569 3.751 20 10 GHCDMN COCc1cnc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000771843072 875481044 /nfs/dbraw/zinc/48/10/44/875481044.db2.gz QBYSPNBZBORYBM-ZDUSSCGKSA-N 0 1 383.464 3.650 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC001201346873 875651937 /nfs/dbraw/zinc/65/19/37/875651937.db2.gz DQKGFRKFIXLEIA-NRFANRHFSA-N 0 1 376.504 3.549 20 10 GHCDMN Cc1ccc(O)c(CNCc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC000858240001 882968415 /nfs/dbraw/zinc/96/84/15/882968415.db2.gz YQLUOYHOCWOMTL-UHFFFAOYSA-N 0 1 389.521 3.740 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nc2c(s1)CCCC2 ZINC000772445171 875962614 /nfs/dbraw/zinc/96/26/14/875962614.db2.gz OWLAOMPLNRFCHH-NVXWUHKLSA-N 0 1 398.576 3.574 20 10 GHCDMN C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc21 ZINC000858311436 883015794 /nfs/dbraw/zinc/01/57/94/883015794.db2.gz JQCXYZDSMBOECC-KRWDZBQOSA-N 0 1 378.520 3.521 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccc(F)c3OC(F)F)cc2F)CC1 ZINC000850073359 876639405 /nfs/dbraw/zinc/63/94/05/876639405.db2.gz ZVBFYACIZNZPEC-UHFFFAOYSA-N 0 1 398.400 3.817 20 10 GHCDMN OC1CCN(c2ccc(CNCc3c(F)cccc3N3CCCC3)cc2)CC1 ZINC000850405657 876886556 /nfs/dbraw/zinc/88/65/56/876886556.db2.gz XZHWNFMKUSZLSX-UHFFFAOYSA-N 0 1 383.511 3.677 20 10 GHCDMN COc1ccc(OC(F)F)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406175 876887125 /nfs/dbraw/zinc/88/71/25/876887125.db2.gz VKRNZMBUXZATHQ-UHFFFAOYSA-N 0 1 392.446 3.548 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(C(F)F)nc1 ZINC000850473297 876952236 /nfs/dbraw/zinc/95/22/36/876952236.db2.gz DOLPQGXEMTUFEQ-GFCCVEGCSA-N 0 1 383.389 3.985 20 10 GHCDMN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1[O-] ZINC000850580888 877053941 /nfs/dbraw/zinc/05/39/41/877053941.db2.gz BPBXARJPDUUMJN-AYVTZFPOSA-N 0 1 390.199 3.956 20 10 GHCDMN FC(F)(F)C1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093532518 912323293 /nfs/dbraw/zinc/32/32/93/912323293.db2.gz YBRCCCWMOCZJTN-UHFFFAOYSA-N 0 1 382.348 3.840 20 10 GHCDMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000746766590 878350370 /nfs/dbraw/zinc/35/03/70/878350370.db2.gz GQXTTWAHXOPHBD-OAQYLSRUSA-N 0 1 398.938 3.818 20 10 GHCDMN CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000093660426 912379393 /nfs/dbraw/zinc/37/93/93/912379393.db2.gz OWFKRFDXYBTLEY-UHFFFAOYSA-N 0 1 381.520 3.601 20 10 GHCDMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N(C)Cc3ccccc3O)n2)cc1 ZINC000111235848 878959502 /nfs/dbraw/zinc/95/95/02/878959502.db2.gz KMCUFEJQGBYNEL-CQSZACIVSA-N 0 1 397.500 3.983 20 10 GHCDMN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180765346 879296109 /nfs/dbraw/zinc/29/61/09/879296109.db2.gz KGSCHXCLCLKTRI-CZUORRHYSA-N 0 1 387.421 3.630 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCO[C@H](COc4ccccc4)C3)c2c1 ZINC000790459309 879740454 /nfs/dbraw/zinc/74/04/54/879740454.db2.gz LLEMDWCSTWNYNW-FQEVSTJZSA-N 0 1 379.456 3.834 20 10 GHCDMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510853 912608932 /nfs/dbraw/zinc/60/89/32/912608932.db2.gz HQQSEDHKXWPVAH-KSFYIVLOSA-N 0 1 388.458 3.536 20 10 GHCDMN Cc1nc2ccc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2o1 ZINC000792238598 880998400 /nfs/dbraw/zinc/99/84/00/880998400.db2.gz SCJKFIOYQSIHFX-QGZVFWFLSA-N 0 1 399.878 3.890 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000747077449 881128367 /nfs/dbraw/zinc/12/83/67/881128367.db2.gz XDYKUFXWHMSFIS-OAQYLSRUSA-N 0 1 388.552 3.828 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccccc1O ZINC000772797683 881188943 /nfs/dbraw/zinc/18/89/43/881188943.db2.gz IHYRLFJQALLYIE-UHFFFAOYSA-N 0 1 382.508 3.628 20 10 GHCDMN CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Cl)cc(Cl)c1O ZINC000184228644 883338074 /nfs/dbraw/zinc/33/80/74/883338074.db2.gz IYOIHJRSNOXRDU-UHFFFAOYSA-N 0 1 387.288 3.633 20 10 GHCDMN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000185084508 883417746 /nfs/dbraw/zinc/41/77/46/883417746.db2.gz LPGMVCHGQNJFCB-LBPRGKRZSA-N 0 1 387.281 3.895 20 10 GHCDMN O=C(NCc1noc(-c2cccs2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000805016292 883533626 /nfs/dbraw/zinc/53/36/26/883533626.db2.gz ACOGRSLRRHKFIP-UHFFFAOYSA-N 0 1 399.259 3.810 20 10 GHCDMN CCOc1cccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805134876 883615380 /nfs/dbraw/zinc/61/53/80/883615380.db2.gz AVSWOJVNNFXRIX-UHFFFAOYSA-N 0 1 376.261 3.576 20 10 GHCDMN Cc1cccc2nc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cn21 ZINC000805138968 883618051 /nfs/dbraw/zinc/61/80/51/883618051.db2.gz LACLNPZTNWCUMN-UHFFFAOYSA-N 0 1 379.247 3.655 20 10 GHCDMN COc1cccc(O[C@@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805156265 883634503 /nfs/dbraw/zinc/63/45/03/883634503.db2.gz ODDWEVJTGUEWSY-NSHDSACASA-N 0 1 399.274 3.974 20 10 GHCDMN O=C(NCCSCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000805251361 883676781 /nfs/dbraw/zinc/67/67/81/883676781.db2.gz VRHASXPFEDCQON-UHFFFAOYSA-N 0 1 377.215 3.794 20 10 GHCDMN COc1cc(Cl)cc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187527888 883799208 /nfs/dbraw/zinc/79/92/08/883799208.db2.gz OWXZJPOUGGIESQ-SFHVURJKSA-N 0 1 375.831 3.806 20 10 GHCDMN CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275235846 912763589 /nfs/dbraw/zinc/76/35/89/912763589.db2.gz DQQPWHZPIIUXQG-IBGZPJMESA-N 0 1 399.318 3.696 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(Cn2cncn2)c1 ZINC000806222177 884479286 /nfs/dbraw/zinc/47/92/86/884479286.db2.gz DTABIMFOBRAIKZ-UHFFFAOYSA-N 0 1 392.246 3.661 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccn(Cc2ccccn2)n1 ZINC000806285967 884539016 /nfs/dbraw/zinc/53/90/16/884539016.db2.gz LUTHWQMSRNOWRT-UHFFFAOYSA-N 0 1 392.246 3.661 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc(-n2ccnn2)c1 ZINC000806357991 884633999 /nfs/dbraw/zinc/63/39/99/884633999.db2.gz MPQCZNVAOZVALC-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN COc1cc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C ZINC000807510918 885496588 /nfs/dbraw/zinc/49/65/88/885496588.db2.gz ADXACMZFWOSXSN-UHFFFAOYSA-N 0 1 397.258 3.579 20 10 GHCDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(Cl)cc(Cl)c1O ZINC000807839034 885768985 /nfs/dbraw/zinc/76/89/85/885768985.db2.gz GDZHKNWQGNSOAW-UHFFFAOYSA-N 0 1 394.214 3.947 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841079 885773248 /nfs/dbraw/zinc/77/32/48/885773248.db2.gz QYWHLUGCEOXJFH-UWVGGRQHSA-N 0 1 391.295 3.865 20 10 GHCDMN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835615 885798664 /nfs/dbraw/zinc/79/86/64/885798664.db2.gz JYIFUJADNYZDKB-NSHDSACASA-N 0 1 396.336 3.556 20 10 GHCDMN COc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc2c1O[C@@H](C)C2 ZINC000807836736 885799362 /nfs/dbraw/zinc/79/93/62/885799362.db2.gz MWKNZOYXNBWKEA-VIFPVBQESA-N 0 1 382.243 3.961 20 10 GHCDMN COc1ccc2c(c1)C=C(C(=O)NCc1cc(Cl)cc(Cl)c1O)CO2 ZINC000807835894 885800662 /nfs/dbraw/zinc/80/06/62/885800662.db2.gz LYARKTVVWZCJHH-UHFFFAOYSA-N 0 1 380.227 3.800 20 10 GHCDMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838146 885803998 /nfs/dbraw/zinc/80/39/98/885803998.db2.gz LMRKPBJIKYKBAA-SNVBAGLBSA-N 0 1 391.295 3.818 20 10 GHCDMN NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)c2ncccc12 ZINC000808090155 886010387 /nfs/dbraw/zinc/01/03/87/886010387.db2.gz REHTZOZRAHECKN-UHFFFAOYSA-N 0 1 398.271 3.507 20 10 GHCDMN O=C(NC1CC[NH+](Cc2c([O-])cccc2Br)CC1)c1ccccc1 ZINC000862215550 886213158 /nfs/dbraw/zinc/21/31/58/886213158.db2.gz QJBILYOGMPIOSO-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237264 886237407 /nfs/dbraw/zinc/23/74/07/886237407.db2.gz KWLNHASUGPYLHG-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237264 886237426 /nfs/dbraw/zinc/23/74/26/886237426.db2.gz KWLNHASUGPYLHG-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301155 886285389 /nfs/dbraw/zinc/28/53/89/886285389.db2.gz ZHTOPLOKAPVQFS-KGLIPLIRSA-N 0 1 383.483 3.766 20 10 GHCDMN CN(Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000915361347 886418424 /nfs/dbraw/zinc/41/84/24/886418424.db2.gz SXDWSWHUMDVSDI-UHFFFAOYSA-N 0 1 381.451 3.949 20 10 GHCDMN Cc1cc(Cl)cc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1O ZINC000808712029 886695278 /nfs/dbraw/zinc/69/52/78/886695278.db2.gz ZJBFAZZPRCLSOU-KUHUBIRLSA-N 0 1 387.911 3.977 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@]3(C)CCCO3)no2)C1 ZINC000809452223 887451246 /nfs/dbraw/zinc/45/12/46/887451246.db2.gz BZQFHATWVMKGGF-QFIPXVFZSA-N 0 1 380.492 3.865 20 10 GHCDMN CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1cc(Br)ccc1[O-] ZINC000809591104 887597546 /nfs/dbraw/zinc/59/75/46/887597546.db2.gz FIMIJXNIVZSBKM-UHFFFAOYSA-N 0 1 396.281 3.900 20 10 GHCDMN CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1cc(Br)ccc1[O-] ZINC000809591104 887597558 /nfs/dbraw/zinc/59/75/58/887597558.db2.gz FIMIJXNIVZSBKM-UHFFFAOYSA-N 0 1 396.281 3.900 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000809693707 887670137 /nfs/dbraw/zinc/67/01/37/887670137.db2.gz YZJFTXVZLZJSHX-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000809712771 887734039 /nfs/dbraw/zinc/73/40/39/887734039.db2.gz DXBNPVDUNIGXST-UHFFFAOYSA-N 0 1 388.265 3.843 20 10 GHCDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000120043748 887769633 /nfs/dbraw/zinc/76/96/33/887769633.db2.gz NABIQWVNIBGOAD-LJQANCHMSA-N 0 1 386.561 3.937 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218523 888296803 /nfs/dbraw/zinc/29/68/03/888296803.db2.gz AVOMEJLGIBSCIR-WMLDXEAASA-N 0 1 382.430 3.854 20 10 GHCDMN OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000865654771 888501550 /nfs/dbraw/zinc/50/15/50/888501550.db2.gz UUFZOGPJZRXXDP-GOSISDBHSA-N 0 1 398.400 3.504 20 10 GHCDMN CC1(c2ccc(C[NH2+]Cc3c([O-])cccc3Br)cc2)OCCO1 ZINC000865668259 888506835 /nfs/dbraw/zinc/50/68/35/888506835.db2.gz IYQCSDRZKFZYAV-UHFFFAOYSA-N 0 1 378.266 3.664 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000916444625 889004134 /nfs/dbraw/zinc/00/41/34/889004134.db2.gz WVBMVLRQAIIRCS-UHFFFAOYSA-N 0 1 394.563 3.733 20 10 GHCDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000811514967 889711288 /nfs/dbraw/zinc/71/12/88/889711288.db2.gz SFNSPKAEIZBODM-QGZVFWFLSA-N 0 1 383.458 3.567 20 10 GHCDMN O=C([N-]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000811514967 889711303 /nfs/dbraw/zinc/71/13/03/889711303.db2.gz SFNSPKAEIZBODM-QGZVFWFLSA-N 0 1 383.458 3.567 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000869026983 889721952 /nfs/dbraw/zinc/72/19/52/889721952.db2.gz AFRHZKDNQPJPEK-UHFFFAOYSA-N 0 1 390.487 3.521 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000812775144 890953361 /nfs/dbraw/zinc/95/33/61/890953361.db2.gz HHURJBRNDLCVEE-GFCCVEGCSA-N 0 1 393.119 3.917 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780131 890960707 /nfs/dbraw/zinc/96/07/07/890960707.db2.gz SZHSZZDYEKWQDP-HXUWFJFHSA-N 0 1 390.321 3.972 20 10 GHCDMN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685812 891877159 /nfs/dbraw/zinc/87/71/59/891877159.db2.gz SVGFXCUIMKEITJ-CQSZACIVSA-N 0 1 387.307 3.742 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000917394291 891889277 /nfs/dbraw/zinc/88/92/77/891889277.db2.gz HVKKZCRTQGEPPS-HXUWFJFHSA-N 0 1 389.499 3.938 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000917411044 891945837 /nfs/dbraw/zinc/94/58/37/891945837.db2.gz HPHOKVOIWUGAJO-UHFFFAOYSA-N 0 1 394.479 3.787 20 10 GHCDMN CCCC[N@@H+](Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])[C@H](C)CC ZINC000917437851 891961790 /nfs/dbraw/zinc/96/17/90/891961790.db2.gz MPVZMNGWHSKDAA-QGZVFWFLSA-N 0 1 376.541 3.828 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(Br)cc1[O-] ZINC000813881681 892063671 /nfs/dbraw/zinc/06/36/71/892063671.db2.gz TWRGQKQNDOQWPF-GFCCVEGCSA-N 0 1 387.277 3.857 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000774834129 913662172 /nfs/dbraw/zinc/66/21/72/913662172.db2.gz BJIJCOPMOFVGGX-UHFFFAOYSA-N 0 1 381.226 3.704 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000774834129 913662177 /nfs/dbraw/zinc/66/21/77/913662177.db2.gz BJIJCOPMOFVGGX-UHFFFAOYSA-N 0 1 381.226 3.704 20 10 GHCDMN Cc1ccc([C@@H](NCc2cc(Cl)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000825762756 892447429 /nfs/dbraw/zinc/44/74/29/892447429.db2.gz RRCQGBBFEDPBST-LIRRHRJNSA-N 0 1 381.925 3.926 20 10 GHCDMN COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC(F)F ZINC000774837570 913700789 /nfs/dbraw/zinc/70/07/89/913700789.db2.gz ZPHMBSNMDQPSMD-UHFFFAOYSA-N 0 1 398.362 3.551 20 10 GHCDMN COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC(F)F ZINC000774837570 913700796 /nfs/dbraw/zinc/70/07/96/913700796.db2.gz ZPHMBSNMDQPSMD-UHFFFAOYSA-N 0 1 398.362 3.551 20 10 GHCDMN COCCCOc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825882530 893206216 /nfs/dbraw/zinc/20/62/16/893206216.db2.gz LEYLXNYBLUEICP-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1Cl ZINC000825892233 893291774 /nfs/dbraw/zinc/29/17/74/893291774.db2.gz BJIBVGJKBPQAPX-UHFFFAOYSA-N 0 1 382.291 3.730 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1[O-] ZINC000815153812 893488263 /nfs/dbraw/zinc/48/82/63/893488263.db2.gz YMRCZWCHRJSSIO-UHFFFAOYSA-N 0 1 375.415 3.755 20 10 GHCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000774854619 913802408 /nfs/dbraw/zinc/80/24/08/913802408.db2.gz YEISRVIZCDRENW-VQIMIIECSA-N 0 1 399.491 3.966 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000826003436 893884164 /nfs/dbraw/zinc/88/41/64/893884164.db2.gz MLGCNPXUOAORRE-UHFFFAOYSA-N 0 1 375.188 3.901 20 10 GHCDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1nnnn1-c1ccccc1 ZINC000815570043 894039046 /nfs/dbraw/zinc/03/90/46/894039046.db2.gz PCPFVZJPXAZJDX-OAQYLSRUSA-N 0 1 385.471 3.832 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000815661002 894076348 /nfs/dbraw/zinc/07/63/48/894076348.db2.gz QHPOVUOVQVUGSW-ATLSCFEFSA-N 0 1 394.313 3.811 20 10 GHCDMN O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816497508 894877264 /nfs/dbraw/zinc/87/72/64/894877264.db2.gz GKCATUITSNUTSO-UHFFFAOYSA-N 0 1 392.474 3.962 20 10 GHCDMN O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816497508 894877271 /nfs/dbraw/zinc/87/72/71/894877271.db2.gz GKCATUITSNUTSO-UHFFFAOYSA-N 0 1 392.474 3.962 20 10 GHCDMN O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816499944 894879437 /nfs/dbraw/zinc/87/94/37/894879437.db2.gz FEVRXCBWHSMVPN-UHFFFAOYSA-N 0 1 387.842 3.624 20 10 GHCDMN COc1ccc([C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])N(C)C)cc1OC ZINC000816529619 894897401 /nfs/dbraw/zinc/89/74/01/894897401.db2.gz ZUPYNOVDDBFBKL-HXUWFJFHSA-N 0 1 380.488 3.955 20 10 GHCDMN O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816540131 894909345 /nfs/dbraw/zinc/90/93/45/894909345.db2.gz CZFFWVGBDAZDSO-OAQYLSRUSA-N 0 1 390.483 3.744 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c(C)n1-c1ccccc1C ZINC000816682096 895023052 /nfs/dbraw/zinc/02/30/52/895023052.db2.gz OSYIXNMWTBZARV-LJQANCHMSA-N 0 1 395.547 3.728 20 10 GHCDMN CC1CCN(c2ccc(CNCCS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000819039237 896364463 /nfs/dbraw/zinc/36/44/63/896364463.db2.gz OQXUREDIDGDAIT-UHFFFAOYSA-N 0 1 390.524 3.626 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778642311 897813273 /nfs/dbraw/zinc/81/32/73/897813273.db2.gz CTBKAURJLUSNFG-GDBMZVCRSA-N 0 1 389.883 3.954 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)CN(C)[C@@H]3CCSC3)cc2Cl)C1 ZINC000800048738 898535262 /nfs/dbraw/zinc/53/52/62/898535262.db2.gz BDABGBUOEIJWPL-NVXWUHKLSA-N 0 1 396.000 3.630 20 10 GHCDMN CCCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1O ZINC000823026628 898819941 /nfs/dbraw/zinc/81/99/41/898819941.db2.gz YIOGEHAVVAXLOD-UHFFFAOYSA-N 0 1 382.551 3.506 20 10 GHCDMN Fc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1Br ZINC000823697191 899193149 /nfs/dbraw/zinc/19/31/49/899193149.db2.gz HVSQAVAGDAVACR-UHFFFAOYSA-N 0 1 379.273 3.715 20 10 GHCDMN CN(C)c1ccc([C@H](CNCc2ccncc2F)NC(=O)OC(C)(C)C)cc1 ZINC000824066434 899378571 /nfs/dbraw/zinc/37/85/71/899378571.db2.gz RZQGGTTUQDOIBY-IBGZPJMESA-N 0 1 388.487 3.642 20 10 GHCDMN CCN(CC(=O)Nc1ccccc1OC)Cc1ccc(Br)cc1O ZINC000824475123 899620816 /nfs/dbraw/zinc/62/08/16/899620816.db2.gz ZGTTYRWWBDLVCA-UHFFFAOYSA-N 0 1 393.281 3.624 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000825070378 899962837 /nfs/dbraw/zinc/96/28/37/899962837.db2.gz CKIJVWSDKRVAOE-UHFFFAOYSA-N 0 1 384.657 3.869 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1Cl ZINC000825291332 900074749 /nfs/dbraw/zinc/07/47/49/900074749.db2.gz JXTDRSJTNMCGTB-INIZCTEOSA-N 0 1 384.259 3.602 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(N2CCOCC2)c1 ZINC000825354735 900120845 /nfs/dbraw/zinc/12/08/45/900120845.db2.gz YPFRBQIBNOGZJF-UHFFFAOYSA-N 0 1 391.309 3.590 20 10 GHCDMN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844207366 900602105 /nfs/dbraw/zinc/60/21/05/900602105.db2.gz BQDAAQDPGNHPOT-XASXRRJKSA-N 0 1 395.459 3.793 20 10 GHCDMN COc1ccc(N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)cc1F ZINC000138114623 901069518 /nfs/dbraw/zinc/06/95/18/901069518.db2.gz DKTZFWPTEFNDAG-UHFFFAOYSA-N 0 1 399.510 3.992 20 10 GHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000844657195 901118189 /nfs/dbraw/zinc/11/81/89/901118189.db2.gz NXRZYRYOFRKVQP-UHFFFAOYSA-N 0 1 377.462 3.786 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(SC)cc3)cc2F)CC1 ZINC000303272997 914542215 /nfs/dbraw/zinc/54/22/15/914542215.db2.gz GMLFGRIXUBONOH-UHFFFAOYSA-N 0 1 387.524 3.620 20 10 GHCDMN COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299727 901650675 /nfs/dbraw/zinc/65/06/75/901650675.db2.gz HMNMGDGBHYQFPB-CYBMUJFWSA-N 0 1 396.256 3.956 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144307607 901696390 /nfs/dbraw/zinc/69/63/90/901696390.db2.gz BPQFPLIAXZVDFI-LBPRGKRZSA-N 0 1 388.277 3.990 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(O)c2Br)c1 ZINC000845971547 902552598 /nfs/dbraw/zinc/55/25/98/902552598.db2.gz LFUUKWVXMYHKJR-SNVBAGLBSA-N 0 1 382.254 3.728 20 10 GHCDMN COc1cccc([C@@H](C)N[C@H](CCO)c2ccccc2Br)c1O ZINC000846166055 902736217 /nfs/dbraw/zinc/73/62/17/902736217.db2.gz QTZDVWJHSYYWEY-MLGOLLRUSA-N 0 1 380.282 3.938 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(Br)cc1[O-] ZINC000846215441 902791612 /nfs/dbraw/zinc/79/16/12/902791612.db2.gz KQYFYLJMVYWOLT-XHDPSFHLSA-N 0 1 377.282 3.582 20 10 GHCDMN CCOCc1cc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)ccc1OC ZINC000282763968 904305741 /nfs/dbraw/zinc/30/57/41/904305741.db2.gz UHRGAMFGHCRSRM-QFIPXVFZSA-N 0 1 392.499 3.925 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779160564 904909696 /nfs/dbraw/zinc/90/96/96/904909696.db2.gz FOLWTXYYDRRRCE-RYUDHWBXSA-N 0 1 399.875 3.689 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000290888710 914858554 /nfs/dbraw/zinc/85/85/54/914858554.db2.gz MSYCGWBNSGHVSV-UHFFFAOYSA-N 0 1 380.319 3.887 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163050 905034957 /nfs/dbraw/zinc/03/49/57/905034957.db2.gz VHGQRWGUGRGCNL-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163050 905034977 /nfs/dbraw/zinc/03/49/77/905034977.db2.gz VHGQRWGUGRGCNL-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CN[C@@H]2COCCC2(OC)OC)cc1 ZINC001179479364 909546979 /nfs/dbraw/zinc/54/69/79/909546979.db2.gz LOZFFEAJPJTREQ-JOCHJYFZSA-N 0 1 384.520 3.581 20 10 GHCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Br)cc(Br)c1O ZINC001180523203 910199999 /nfs/dbraw/zinc/19/99/99/910199999.db2.gz QLOFNYNMLNVBEJ-JOYOIKCWSA-N 0 1 393.119 3.917 20 10 GHCDMN O=C(OC[C@H]1CCCCN1Cc1c(O)cccc1Br)N1CCCC1 ZINC001181645612 910873442 /nfs/dbraw/zinc/87/34/42/910873442.db2.gz FOVAXDFTKHRQPZ-CQSZACIVSA-N 0 1 397.313 3.742 20 10 GHCDMN O=C(OC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br)N1CCCC1 ZINC001181645612 910873449 /nfs/dbraw/zinc/87/34/49/910873449.db2.gz FOVAXDFTKHRQPZ-CQSZACIVSA-N 0 1 397.313 3.742 20 10 GHCDMN O=C(OC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br)N1CCCC1 ZINC001181645612 910873455 /nfs/dbraw/zinc/87/34/55/910873455.db2.gz FOVAXDFTKHRQPZ-CQSZACIVSA-N 0 1 397.313 3.742 20 10 GHCDMN CNC(=O)C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000795606143 911405443 /nfs/dbraw/zinc/40/54/43/911405443.db2.gz PQDXYTMZMHOTSL-IBGZPJMESA-N 0 1 396.491 3.552 20 10 GHCDMN Cc1ccc(O)c(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1 ZINC000092615389 911654606 /nfs/dbraw/zinc/65/46/06/911654606.db2.gz TXIDXALSVLWEOO-HNNXBMFYSA-N 0 1 384.505 3.691 20 10 GHCDMN Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182479246 911778594 /nfs/dbraw/zinc/77/85/94/911778594.db2.gz JVZYOUKWSDNIFB-UHFFFAOYSA-N 0 1 383.673 3.845 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001182712928 911996559 /nfs/dbraw/zinc/99/65/59/911996559.db2.gz DEDWGGMDMVEEOH-UXHICEINSA-N 0 1 390.886 3.660 20 10 GHCDMN CCCN(CCC)c1ccc(CNCc2cccc(N3CCOCC3)n2)cc1 ZINC000775361491 917164800 /nfs/dbraw/zinc/16/48/00/917164800.db2.gz PGYQTFRTXKEHLM-UHFFFAOYSA-N 0 1 382.552 3.834 20 10 GHCDMN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775484740 918233492 /nfs/dbraw/zinc/23/34/92/918233492.db2.gz IHXKIZOYZBHCEM-VBQJREDUSA-N 0 1 385.346 3.695 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775490207 918295606 /nfs/dbraw/zinc/29/56/06/918295606.db2.gz AENPSFDOBDDEGQ-GOSISDBHSA-N 0 1 396.940 3.973 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001275838515 918363670 /nfs/dbraw/zinc/36/36/70/918363670.db2.gz YUNAMORYEJVQCN-QGZVFWFLSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+](Cc1c([O-])cccc1Cl)CC2 ZINC001275838515 918363681 /nfs/dbraw/zinc/36/36/81/918363681.db2.gz YUNAMORYEJVQCN-QGZVFWFLSA-N 0 1 390.833 3.813 20 10 GHCDMN Cc1nc(CN2CC[C@]3(CCCN3Cc3ccc(Cl)cc3O)C2=O)cs1 ZINC001275896303 919337327 /nfs/dbraw/zinc/33/73/27/919337327.db2.gz XHYNVQBJCBYIEV-LJQANCHMSA-N 0 1 391.924 3.578 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000802655443 922311475 /nfs/dbraw/zinc/31/14/75/922311475.db2.gz ZNBDZYKCECADHQ-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1ccc2c(c1)CCO2 ZINC000748859719 923868652 /nfs/dbraw/zinc/86/86/52/923868652.db2.gz OJILHHPILUGYRZ-UHFFFAOYSA-N 0 1 376.434 3.685 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc2F)CC1 ZINC000826718874 924101424 /nfs/dbraw/zinc/10/14/24/924101424.db2.gz AMLKOPAFJYWBGH-UHFFFAOYSA-N 0 1 389.437 3.562 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276078283 925247716 /nfs/dbraw/zinc/24/77/16/925247716.db2.gz KXXVWSNJIXSKOO-IBGZPJMESA-N 0 1 395.341 3.912 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276078283 925247725 /nfs/dbraw/zinc/24/77/25/925247725.db2.gz KXXVWSNJIXSKOO-IBGZPJMESA-N 0 1 395.341 3.912 20 10 GHCDMN CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(O)cccc1Br ZINC001276078283 925247732 /nfs/dbraw/zinc/24/77/32/925247732.db2.gz KXXVWSNJIXSKOO-IBGZPJMESA-N 0 1 395.341 3.912 20 10 GHCDMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000389801523 926388368 /nfs/dbraw/zinc/38/83/68/926388368.db2.gz CHFRBTNLJSEWGZ-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000725851013 926468507 /nfs/dbraw/zinc/46/85/07/926468507.db2.gz LAPNVYZTPJMLIZ-UHFFFAOYSA-N 0 1 399.292 3.813 20 10 GHCDMN CCCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1ccccc1O ZINC000750874670 927910623 /nfs/dbraw/zinc/91/06/23/927910623.db2.gz DXYZIVIVWKYXGY-UHFFFAOYSA-N 0 1 390.505 3.708 20 10 GHCDMN CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000757658021 929760999 /nfs/dbraw/zinc/76/09/99/929760999.db2.gz VITOYVRFYMJPJV-HNNXBMFYSA-N 0 1 391.471 3.657 20 10 GHCDMN CSC1(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCC1 ZINC000469324164 929790792 /nfs/dbraw/zinc/79/07/92/929790792.db2.gz HVFYKGVHCFIBEE-UHFFFAOYSA-N 0 1 385.577 3.810 20 10 GHCDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000757800277 929804956 /nfs/dbraw/zinc/80/49/56/929804956.db2.gz YQENKOAWAZAGAM-JTSKRJEESA-N 0 1 396.535 3.540 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@@H]2CCCc3[nH]ncc32)c(C)n1-c1cccc(F)c1 ZINC000758133859 929938625 /nfs/dbraw/zinc/93/86/25/929938625.db2.gz MRBKNQMBFOQDFW-QGZVFWFLSA-N 0 1 395.434 3.802 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000758631063 930109656 /nfs/dbraw/zinc/10/96/56/930109656.db2.gz ASNPQEHFRIRIPL-AWEZNQCLSA-N 0 1 390.199 3.997 20 10 GHCDMN CCOc1ccc(O)c(CN[C@H](CCO)c2ccccc2Br)c1 ZINC000781639760 930920721 /nfs/dbraw/zinc/92/07/21/930920721.db2.gz UMLUGDLEBVSXAL-QGZVFWFLSA-N 0 1 380.282 3.767 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCCc3ccsc3)cc2F)CC1 ZINC000783044883 931393699 /nfs/dbraw/zinc/39/36/99/931393699.db2.gz GMKVESJRZZTVSW-UHFFFAOYSA-N 0 1 389.540 3.668 20 10 GHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796722306 932044009 /nfs/dbraw/zinc/04/40/09/932044009.db2.gz ATFXPRDTYBNFBB-CQSZACIVSA-N 0 1 388.487 3.906 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000927017516 932382634 /nfs/dbraw/zinc/38/26/34/932382634.db2.gz WDILUGHPGJKQDG-GOEBONIOSA-N 0 1 384.314 3.924 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC001116875223 933806676 /nfs/dbraw/zinc/80/66/76/933806676.db2.gz CFHSEVRTGVPBRU-VZSAFFHGSA-N 0 1 389.293 3.828 20 10 GHCDMN Cc1cc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccc1N(C)C ZINC001139670511 935560308 /nfs/dbraw/zinc/56/03/08/935560308.db2.gz ABKUATALVIOTGB-XUZZJYLKSA-N 0 1 395.547 3.906 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137833067 935812944 /nfs/dbraw/zinc/81/29/44/935812944.db2.gz RCSPBFKDYYVTQO-XLIONFOSSA-N 0 1 382.451 3.702 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]2CF)CC1 ZINC001137833094 935813235 /nfs/dbraw/zinc/81/32/35/935813235.db2.gz SGOZFJVQSNYWRR-HIFRSBDPSA-N 0 1 382.451 3.606 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H](C)CC3)cc2F)CC1 ZINC001226824877 1032145895 /nfs/dbraw/zinc/14/58/95/1032145895.db2.gz KPJYDCPBVZAJQN-IEBWSBKVSA-N 0 1 390.547 3.736 20 10 GHCDMN Cc1nc(CN2CC[C@]3(CCC[N@H+]3Cc3cccc(Cl)c3[O-])C2=O)cs1 ZINC001277232562 1032520750 /nfs/dbraw/zinc/52/07/50/1032520750.db2.gz UHJBBZDAXPOSKB-LJQANCHMSA-N 0 1 391.924 3.578 20 10 GHCDMN COc1ccc(OC)c(CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204327250 1032770664 /nfs/dbraw/zinc/77/06/64/1032770664.db2.gz NFBSEKAEYGEBPR-UHFFFAOYSA-N 0 1 395.547 3.622 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c(OC)c1 ZINC001204329139 1032772543 /nfs/dbraw/zinc/77/25/43/1032772543.db2.gz YKLRZZUIMDKDAK-UHFFFAOYSA-N 0 1 381.520 3.626 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(C)cc(C(C)C)n3)CC2)cc1 ZINC001156263303 1032949073 /nfs/dbraw/zinc/94/90/73/1032949073.db2.gz RPJCYGVTTLOFPZ-UHFFFAOYSA-N 0 1 383.540 3.541 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001140338322 1021443043 /nfs/dbraw/zinc/44/30/43/1021443043.db2.gz FVHHDXZXHFUCNR-LAUBAEHRSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001140338322 1021443049 /nfs/dbraw/zinc/44/30/49/1021443049.db2.gz FVHHDXZXHFUCNR-LAUBAEHRSA-N 0 1 388.895 3.781 20 10 GHCDMN Oc1cccc(Cl)c1CN1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001140342736 1021455359 /nfs/dbraw/zinc/45/53/59/1021455359.db2.gz WDPIRCAJOUPEBN-UHFFFAOYSA-N 0 1 380.879 3.825 20 10 GHCDMN COC(=O)c1ccc(OC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC001140344324 1021457910 /nfs/dbraw/zinc/45/79/10/1021457910.db2.gz HWFNVSHSXKGAGB-UHFFFAOYSA-N 0 1 375.852 3.876 20 10 GHCDMN COCCOc1ccccc1N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001204592334 1032987528 /nfs/dbraw/zinc/98/75/28/1032987528.db2.gz LYLBAOWPTWXQLH-SREVYHEPSA-N 0 1 395.547 3.613 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NN2[C@H](C)CCC[C@@H]2C)C1 ZINC001140446182 1021732489 /nfs/dbraw/zinc/73/24/89/1021732489.db2.gz SCRJFBSJVVUTNS-HDICACEKSA-N 0 1 382.552 3.702 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]12 ZINC001140465283 1021757197 /nfs/dbraw/zinc/75/71/97/1021757197.db2.gz MTGIDUVHWGGVST-FGZHOGPDSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]12 ZINC001140465283 1021757209 /nfs/dbraw/zinc/75/72/09/1021757209.db2.gz MTGIDUVHWGGVST-FGZHOGPDSA-N 0 1 384.907 3.810 20 10 GHCDMN O=C1CC2(CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)Oc2ccc(F)cc21 ZINC001140584487 1022007844 /nfs/dbraw/zinc/00/78/44/1022007844.db2.gz TTYCJZBSYQRULK-UHFFFAOYSA-N 0 1 377.362 3.810 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585358 1022008807 /nfs/dbraw/zinc/00/88/07/1022008807.db2.gz GPWCUWSCJAPEJW-LLVKDONJSA-N 0 1 389.324 3.523 20 10 GHCDMN Fc1ccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)cc1 ZINC001140661558 1022198067 /nfs/dbraw/zinc/19/80/67/1022198067.db2.gz JHGTZOLIUJIOAA-UHFFFAOYSA-N 0 1 388.458 3.845 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000725855664 1022388053 /nfs/dbraw/zinc/38/80/53/1022388053.db2.gz ANALQUSOPOVTDB-UHFFFAOYSA-N 0 1 396.535 3.978 20 10 GHCDMN CCC[N@H+](Cc1ccc(O)c(C)c1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140749629 1022427403 /nfs/dbraw/zinc/42/74/03/1022427403.db2.gz HACAZRMUYSSSFW-MRXNPFEDSA-N 0 1 378.513 3.875 20 10 GHCDMN CCN(CC)c1ccc(CN2CCN(Cc3c(F)cccc3F)CC2)c(O)c1 ZINC001140856690 1022714248 /nfs/dbraw/zinc/71/42/48/1022714248.db2.gz GSVDWMZJEVLMQV-UHFFFAOYSA-N 0 1 389.490 3.834 20 10 GHCDMN Oc1ccc([C@H]2CN(Cc3cnco3)CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC001140934305 1022916596 /nfs/dbraw/zinc/91/65/96/1022916596.db2.gz ZTPZTEOGVXDBHQ-QGZVFWFLSA-N 0 1 386.835 3.635 20 10 GHCDMN CC[C@@H](COCC(F)(F)F)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836532102 1023086745 /nfs/dbraw/zinc/08/67/45/1023086745.db2.gz OWTAIDAQMKIXAE-JTQLQIEISA-N 0 1 389.201 3.856 20 10 GHCDMN O=C1NCCc2cc(NCc3cc(Cl)cc(Br)c3O)ccc21 ZINC001203097748 1023567287 /nfs/dbraw/zinc/56/72/87/1023567287.db2.gz IXSUWSPXSYIQMC-UHFFFAOYSA-N 0 1 381.657 3.706 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000756470230 1023670500 /nfs/dbraw/zinc/67/05/00/1023670500.db2.gz NCABHBVPDPYMPZ-KRWDZBQOSA-N 0 1 390.483 3.869 20 10 GHCDMN COC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)[C@H](c2ccccc2)C1 ZINC001141144601 1023963277 /nfs/dbraw/zinc/96/32/77/1023963277.db2.gz IENLKLFNVUZEJS-FPOVZHCZSA-N 0 1 380.488 3.642 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000830845516 1024183779 /nfs/dbraw/zinc/18/37/79/1024183779.db2.gz MTEVCQLVFCZLAW-KRWDZBQOSA-N 0 1 385.357 3.966 20 10 GHCDMN Cc1c(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c2ccccc2n1C ZINC001138255745 1024479002 /nfs/dbraw/zinc/47/90/02/1024479002.db2.gz QVHJILAVNNVFQU-CDNPAEQRSA-N 0 1 391.515 3.940 20 10 GHCDMN O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000831543475 1024630326 /nfs/dbraw/zinc/63/03/26/1024630326.db2.gz HGDZINBCYYUWMK-SNVBAGLBSA-N 0 1 388.263 3.944 20 10 GHCDMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367814 1024740814 /nfs/dbraw/zinc/74/08/14/1024740814.db2.gz RMUDXUGNJMCETO-UHFFFAOYSA-N 0 1 393.709 3.765 20 10 GHCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373053 1024761108 /nfs/dbraw/zinc/76/11/08/1024761108.db2.gz KVBREJAJYJFRMY-SKDRFNHKSA-N 0 1 376.678 3.582 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3ccnc(OC)c3)CC2)c(OC)c1 ZINC001138392025 1024769814 /nfs/dbraw/zinc/76/98/14/1024769814.db2.gz MSXAKDDLTVRYFO-UHFFFAOYSA-N 0 1 399.535 3.988 20 10 GHCDMN FC(F)(F)Oc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499794 1024933301 /nfs/dbraw/zinc/93/33/01/1024933301.db2.gz JROFUALIIFRSBE-UHFFFAOYSA-N 0 1 392.421 3.980 20 10 GHCDMN COc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1SC ZINC000839146265 1025642604 /nfs/dbraw/zinc/64/26/04/1025642604.db2.gz AZIYSICKTUCKNU-UHFFFAOYSA-N 0 1 394.487 3.822 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000839148691 1025646244 /nfs/dbraw/zinc/64/62/44/1025646244.db2.gz KOXWUHMXWVBCHE-INIZCTEOSA-N 0 1 389.389 3.915 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[O-] ZINC000839148691 1025646256 /nfs/dbraw/zinc/64/62/56/1025646256.db2.gz KOXWUHMXWVBCHE-INIZCTEOSA-N 0 1 389.389 3.915 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN(Cc1ccccn1)Cc1ccccn1 ZINC001139127391 1025940573 /nfs/dbraw/zinc/94/05/73/1025940573.db2.gz VJNCOINMRADECN-UHFFFAOYSA-N 0 1 387.439 3.799 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001139134262 1025948069 /nfs/dbraw/zinc/94/80/69/1025948069.db2.gz ZILZCWKKEIYEMR-UHFFFAOYSA-N 0 1 387.439 3.686 20 10 GHCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H]1c1ccccc1 ZINC001140100200 1026877277 /nfs/dbraw/zinc/87/72/77/1026877277.db2.gz FUSVMPNOTLBNFD-KDOFPFPSSA-N 0 1 390.277 3.891 20 10 GHCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)[C@H]1c1ccccc1 ZINC001140100200 1026877285 /nfs/dbraw/zinc/87/72/85/1026877285.db2.gz FUSVMPNOTLBNFD-KDOFPFPSSA-N 0 1 390.277 3.891 20 10 GHCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)[C@H]1c1ccccc1 ZINC001140100200 1026877293 /nfs/dbraw/zinc/87/72/93/1026877293.db2.gz FUSVMPNOTLBNFD-KDOFPFPSSA-N 0 1 390.277 3.891 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC001140100280 1026877407 /nfs/dbraw/zinc/87/74/07/1026877407.db2.gz IWPGDVGYUYRYLQ-SWLSCSKDSA-N 0 1 397.313 3.596 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3c([O-])cccc3Br)[C@@H]2C1 ZINC001140100280 1026877419 /nfs/dbraw/zinc/87/74/19/1026877419.db2.gz IWPGDVGYUYRYLQ-SWLSCSKDSA-N 0 1 397.313 3.596 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC001140100280 1026877427 /nfs/dbraw/zinc/87/74/27/1026877427.db2.gz IWPGDVGYUYRYLQ-SWLSCSKDSA-N 0 1 397.313 3.596 20 10 GHCDMN CC(=O)N1CCCCC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140101339 1026880867 /nfs/dbraw/zinc/88/08/67/1026880867.db2.gz OZIUVNHBKHVPKF-UHFFFAOYSA-N 0 1 381.314 3.522 20 10 GHCDMN Cc1ccnc(OC2CC[NH+](Cc3c([O-])cccc3Br)CC2)c1 ZINC001140101941 1026881141 /nfs/dbraw/zinc/88/11/41/1026881141.db2.gz FPBNJQPLXIVEOW-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1ccnc(OC2CCN(Cc3c(O)cccc3Br)CC2)c1 ZINC001140101941 1026881150 /nfs/dbraw/zinc/88/11/50/1026881150.db2.gz FPBNJQPLXIVEOW-UHFFFAOYSA-N 0 1 377.282 3.902 20 10 GHCDMN COc1cccc(O[C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102734 1026883400 /nfs/dbraw/zinc/88/34/00/1026883400.db2.gz YCXPFPIGYAPISW-ZDUSSCGKSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cccc(O[C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102734 1026883416 /nfs/dbraw/zinc/88/34/16/1026883416.db2.gz YCXPFPIGYAPISW-ZDUSSCGKSA-N 0 1 393.281 3.602 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@]1(C)O ZINC001203565296 1027436193 /nfs/dbraw/zinc/43/61/93/1027436193.db2.gz ZBUTYBLBIYHYQN-OTYXRUKQSA-N 0 1 393.119 3.510 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cccc(OCC)c2O)Cc2cnn(CC3CC3)c21 ZINC001203609587 1027474970 /nfs/dbraw/zinc/47/49/70/1027474970.db2.gz HVPCBJHIFYAYOU-IBGZPJMESA-N 0 1 385.508 3.533 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2Cc2cc(Br)ccc2O)C1 ZINC001203639497 1027498236 /nfs/dbraw/zinc/49/82/36/1027498236.db2.gz DGYQJQBKSXMDJJ-UKRRQHHQSA-N 0 1 397.313 3.596 20 10 GHCDMN COc1cccc(OC2CCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC001203648007 1027505189 /nfs/dbraw/zinc/50/51/89/1027505189.db2.gz BKFGBVAGJYDFCC-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cc(Cl)ccc4[O-])C3)C2=O)c1 ZINC001203657283 1027511338 /nfs/dbraw/zinc/51/13/38/1027511338.db2.gz CCJFWAFHRFPGMZ-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)C2=O)c1 ZINC001203657283 1027511340 /nfs/dbraw/zinc/51/13/40/1027511340.db2.gz CCJFWAFHRFPGMZ-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001203658771 1027513819 /nfs/dbraw/zinc/51/38/19/1027513819.db2.gz OHSUIGZNWYWHNF-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001203658771 1027513832 /nfs/dbraw/zinc/51/38/32/1027513832.db2.gz OHSUIGZNWYWHNF-GOSISDBHSA-N 0 1 394.853 3.573 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001203875997 1027675738 /nfs/dbraw/zinc/67/57/38/1027675738.db2.gz ZPLXCKOTSZQSCX-OAQYLSRUSA-N 0 1 376.497 3.711 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000840909797 1027944934 /nfs/dbraw/zinc/94/49/34/1027944934.db2.gz HOLDYMBZOJYGID-UHFFFAOYSA-N 0 1 376.859 3.888 20 10 GHCDMN COc1ccc(CNCc2ccc(OC(C)(C)C)nc2)cc1Cn1cccn1 ZINC001461389762 1069529520 /nfs/dbraw/zinc/52/95/20/1069529520.db2.gz IWOBKOKCHWFZAO-UHFFFAOYSA-N 0 1 380.492 3.802 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(Cl)cc1[O-] ZINC000841743530 1028905094 /nfs/dbraw/zinc/90/50/94/1028905094.db2.gz ASNBURIBLAQEPC-RBSFLKMASA-N 0 1 375.900 3.905 20 10 GHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000841747721 1028910801 /nfs/dbraw/zinc/91/08/01/1028910801.db2.gz SDSBEYINNYZQFV-CHWSQXEVSA-N 0 1 382.913 3.708 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748803 1028910899 /nfs/dbraw/zinc/91/08/99/1028910899.db2.gz ZAEAFMIMGTZUOA-AWEZNQCLSA-N 0 1 396.940 3.724 20 10 GHCDMN CCc1nc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000841794121 1028941204 /nfs/dbraw/zinc/94/12/04/1028941204.db2.gz UKMMIIWXTWEFEA-UHFFFAOYSA-N 0 1 398.463 3.531 20 10 GHCDMN Cc1ccc2cccc(NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)c2n1 ZINC001215142396 1029055179 /nfs/dbraw/zinc/05/51/79/1029055179.db2.gz BJMURXBPKNMIIC-UHFFFAOYSA-N 0 1 389.503 3.617 20 10 GHCDMN COCCCn1cc(C)c(NCc2cc(Cl)cc(Br)c2O)n1 ZINC001461524774 1069590846 /nfs/dbraw/zinc/59/08/46/1069590846.db2.gz XUYZEKLCFDEYIJ-UHFFFAOYSA-N 0 1 388.693 3.962 20 10 GHCDMN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000843414268 1029987688 /nfs/dbraw/zinc/98/76/88/1029987688.db2.gz YHTHSUGBIWFAED-UHFFFAOYSA-N 0 1 387.879 3.898 20 10 GHCDMN Oc1cc(-c2nc(-c3cc(F)c(OC4COC4)c(F)c3)no2)cc(Cl)c1O ZINC001216977472 1030047442 /nfs/dbraw/zinc/04/74/42/1030047442.db2.gz HZXIICUTHROXEU-UHFFFAOYSA-N 0 1 396.733 3.524 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)c1O ZINC001277066791 1031561244 /nfs/dbraw/zinc/56/12/44/1031561244.db2.gz GSSNVMCHJVYZPI-HXUWFJFHSA-N 0 1 378.900 3.564 20 10 GHCDMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205446672 1033416096 /nfs/dbraw/zinc/41/60/96/1033416096.db2.gz NGTODYTXWNDBDZ-AWEZNQCLSA-N 0 1 394.924 3.779 20 10 GHCDMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205446672 1033416102 /nfs/dbraw/zinc/41/61/02/1033416102.db2.gz NGTODYTXWNDBDZ-AWEZNQCLSA-N 0 1 394.924 3.779 20 10 GHCDMN CCCCCC[C@H](C)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229774234 1033704132 /nfs/dbraw/zinc/70/41/32/1033704132.db2.gz VKEWWGOZVCYSGH-JTQLQIEISA-N 0 1 390.388 3.754 20 10 GHCDMN CCC[C@@H](C)[C@H](CC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229776738 1033705394 /nfs/dbraw/zinc/70/53/94/1033705394.db2.gz KYFZLIBKVBJIBK-RNCFNFMXSA-N 0 1 390.388 3.610 20 10 GHCDMN Cc1cccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1O ZINC001231593713 1034749180 /nfs/dbraw/zinc/74/91/80/1034749180.db2.gz ZDSUZHYRJFEEFN-HXUWFJFHSA-N 0 1 381.520 3.833 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)cc1Cl ZINC001231869338 1034956367 /nfs/dbraw/zinc/95/63/67/1034956367.db2.gz LVCLHLGJAJEABA-WFXMLNOXSA-N 0 1 399.922 3.896 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)cc1Cl ZINC001231869338 1034956374 /nfs/dbraw/zinc/95/63/74/1034956374.db2.gz LVCLHLGJAJEABA-WFXMLNOXSA-N 0 1 399.922 3.896 20 10 GHCDMN COC[C@@H]1CN(Cc2ccc3ccccc3c2O)Cc2nn(CC3CC3)cc21 ZINC001231878060 1034963186 /nfs/dbraw/zinc/96/31/86/1034963186.db2.gz DMOKTKIOXPOMCU-IBGZPJMESA-N 0 1 377.488 3.898 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231912375 1034987263 /nfs/dbraw/zinc/98/72/63/1034987263.db2.gz ZPOPGNIMJBJEEO-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C)CCC[C@@H]2C)cc1I ZINC001248459564 1035884258 /nfs/dbraw/zinc/88/42/58/1035884258.db2.gz ZKHWXCFVUCSDCL-PHIMTYICSA-N 0 1 375.250 3.768 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232257273 1037980105 /nfs/dbraw/zinc/98/01/05/1037980105.db2.gz BAXUNVYQTSNLSD-UHFFFAOYSA-N 0 1 382.888 3.727 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1Cl ZINC001232269571 1037991658 /nfs/dbraw/zinc/99/16/58/1037991658.db2.gz FFDCVPPIDUIEBM-HIFRSBDPSA-N 0 1 396.915 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1Cl ZINC001232269571 1037991667 /nfs/dbraw/zinc/99/16/67/1037991667.db2.gz FFDCVPPIDUIEBM-HIFRSBDPSA-N 0 1 396.915 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1Cl ZINC001232269490 1037992242 /nfs/dbraw/zinc/99/22/42/1037992242.db2.gz BYQXKJYXCMQGPF-XLIONFOSSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1Cl ZINC001232269490 1037992244 /nfs/dbraw/zinc/99/22/44/1037992244.db2.gz BYQXKJYXCMQGPF-XLIONFOSSA-N 0 1 388.895 3.678 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCCO[C@H](C)C3)c2)nc1C ZINC001232450411 1038232165 /nfs/dbraw/zinc/23/21/65/1038232165.db2.gz BPITVDDVAWTVDO-CYBMUJFWSA-N 0 1 390.505 3.612 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@@H+]3CCCO[C@H](C)C3)c2)nc1C ZINC001232450411 1038232180 /nfs/dbraw/zinc/23/21/80/1038232180.db2.gz BPITVDDVAWTVDO-CYBMUJFWSA-N 0 1 390.505 3.612 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@H+]3CCCO[C@H](C)C3)c2)nc1C ZINC001232450411 1038232191 /nfs/dbraw/zinc/23/21/91/1038232191.db2.gz BPITVDDVAWTVDO-CYBMUJFWSA-N 0 1 390.505 3.612 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@@H+]3CCC[C@@H]3COC)c2)nc1C ZINC001232452583 1038236383 /nfs/dbraw/zinc/23/63/83/1038236383.db2.gz XDCILTWENPXMII-MRXNPFEDSA-N 0 1 390.505 3.612 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@H+]3CCC[C@@H]3COC)c2)nc1C ZINC001232452583 1038236397 /nfs/dbraw/zinc/23/63/97/1038236397.db2.gz XDCILTWENPXMII-MRXNPFEDSA-N 0 1 390.505 3.612 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC001233110484 1038900785 /nfs/dbraw/zinc/90/07/85/1038900785.db2.gz NERZAKPXCQCYEV-HNNXBMFYSA-N 0 1 399.329 3.952 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001233110383 1038901229 /nfs/dbraw/zinc/90/12/29/1038901229.db2.gz CTKCZFXQLCZXMS-DZGCQCFKSA-N 0 1 397.313 3.514 20 10 GHCDMN COc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111431 1038902420 /nfs/dbraw/zinc/90/24/20/1038902420.db2.gz NOSJOZPOEHZUKC-HNNXBMFYSA-N 0 1 393.281 3.520 20 10 GHCDMN COc1cc(O)c(CN2CC[C@H](C(=O)c3ccccc3)C2)cc1Br ZINC001233142944 1038920918 /nfs/dbraw/zinc/92/09/18/1038920918.db2.gz RZINERZTSBTDTJ-AWEZNQCLSA-N 0 1 390.277 3.868 20 10 GHCDMN CCOC(=O)c1c(CN2CCC(c3nc(CC)no3)CC2)c2ccccc2n1C ZINC001233273084 1039040908 /nfs/dbraw/zinc/04/09/08/1039040908.db2.gz NJCFMUWFBTWIOR-UHFFFAOYSA-N 0 1 396.491 3.680 20 10 GHCDMN COc1cc(Cl)cc(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1O ZINC001233289163 1039070681 /nfs/dbraw/zinc/07/06/81/1039070681.db2.gz LZSJXOUGPKJXOJ-AWEZNQCLSA-N 0 1 392.931 3.668 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1O ZINC001233291141 1039076602 /nfs/dbraw/zinc/07/66/02/1039076602.db2.gz NSPUPFFDXZFQKO-UHFFFAOYSA-N 0 1 392.858 3.588 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333647 1039134213 /nfs/dbraw/zinc/13/42/13/1039134213.db2.gz CXIDKUZTYVIOHJ-LJQANCHMSA-N 0 1 378.444 3.751 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cccc1C(F)(F)F ZINC001233417284 1039274326 /nfs/dbraw/zinc/27/43/26/1039274326.db2.gz OWXKDFCLBPAKKG-BBRMVZONSA-N 0 1 397.466 3.964 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cccc1C(F)(F)F ZINC001233417286 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PRMKRZZIZPTPDK-UHFFFAOYSA-N 0 1 384.201 3.579 20 10 GHCDMN Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC001235067486 1040558447 /nfs/dbraw/zinc/55/84/47/1040558447.db2.gz UJUSGPNGWOEJJT-UHFFFAOYSA-N 0 1 394.288 3.710 20 10 GHCDMN Oc1c(F)cc(Br)cc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001235073513 1040563864 /nfs/dbraw/zinc/56/38/64/1040563864.db2.gz BGMNCROEAVMBFG-CQSZACIVSA-N 0 1 393.247 3.599 20 10 GHCDMN CCc1cccc(CN2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)n1 ZINC001235258345 1040740240 /nfs/dbraw/zinc/74/02/40/1040740240.db2.gz MPILRXSMYSAJKS-DEOSSOPVSA-N 0 1 395.547 3.772 20 10 GHCDMN Oc1c(Br)cc(F)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001235306952 1040782640 /nfs/dbraw/zinc/78/26/40/1040782640.db2.gz ZZABTCQUAFYXMT-UHFFFAOYSA-N 0 1 388.240 3.995 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236666442 1041813541 /nfs/dbraw/zinc/81/35/41/1041813541.db2.gz NCZSEJURCSHAAR-LJQANCHMSA-N 0 1 395.341 3.830 20 10 GHCDMN Oc1cc(CN2CCC(COc3cccnc3)CC2)c(O)cc1Br 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CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001308747632 1050080355 /nfs/dbraw/zinc/08/03/55/1050080355.db2.gz CZSLXRHNSBZEIV-HNNXBMFYSA-N 0 1 399.329 3.954 20 10 GHCDMN CN(C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC001308763478 1050086932 /nfs/dbraw/zinc/08/69/32/1050086932.db2.gz RNLAYMDLHWRFIB-KBPBESRZSA-N 0 1 390.858 3.964 20 10 GHCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC001311403312 1052106885 /nfs/dbraw/zinc/10/68/85/1052106885.db2.gz WIKUIMLWMJBPSV-FQEVSTJZSA-N 0 1 386.565 3.793 20 10 GHCDMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001311862096 1052442940 /nfs/dbraw/zinc/44/29/40/1052442940.db2.gz TXSMBNDNSHYBJS-RBBKRZOGSA-N 0 1 386.584 3.843 20 10 GHCDMN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC001319970475 1055567825 /nfs/dbraw/zinc/56/78/25/1055567825.db2.gz LCWXIGGYZPTSDM-OLZOCXBDSA-N 0 1 375.410 3.534 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000848079027 1056563106 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GHCDMN Cc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC001445879458 1059645461 /nfs/dbraw/zinc/64/54/61/1059645461.db2.gz DZNQWTOBBKREPM-MBNRZODZSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC001445879458 1059645474 /nfs/dbraw/zinc/64/54/74/1059645474.db2.gz DZNQWTOBBKREPM-MBNRZODZSA-N 0 1 385.895 3.543 20 10 GHCDMN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc21 ZINC001348369251 1063025218 /nfs/dbraw/zinc/02/52/18/1063025218.db2.gz DJFAKAIUEBLEPL-UHFFFAOYSA-N 0 1 398.843 3.605 20 10 GHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC001465409238 1065594742 /nfs/dbraw/zinc/59/47/42/1065594742.db2.gz PNZLHHRBMQKMHW-OAQYLSRUSA-N 0 1 379.504 3.533 20 10 GHCDMN C/C(=C/c1cccnc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590836 1065701676 /nfs/dbraw/zinc/70/16/76/1065701676.db2.gz IGPGPXLXKMNLKG-XZGNNNQISA-N 0 1 385.895 3.625 20 10 GHCDMN C/C(=C/c1cccnc1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 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O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc2ccccc2c1 ZINC000739793663 600316003 /nfs/dbraw/zinc/31/60/03/600316003.db2.gz KNPVHQCCOMUELZ-HXUWFJFHSA-N 0 1 385.847 3.819 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830722601 600828057 /nfs/dbraw/zinc/82/80/57/600828057.db2.gz FUPZXZJVBNMNSN-QIBOZCLASA-N 0 1 395.459 3.651 20 10 GHCDMN Cc1cc(O)c(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C(C)C ZINC000826271949 608054759 /nfs/dbraw/zinc/05/47/59/608054759.db2.gz OJOABMCSEIVQGZ-NRFANRHFSA-N 0 1 393.491 3.578 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCOc3ccccc3C2)c1[O-] ZINC000728196281 835095533 /nfs/dbraw/zinc/09/55/33/835095533.db2.gz NZGIBHIIXYHMTN-UHFFFAOYSA-N 0 1 375.424 3.723 20 10 GHCDMN CC(C)Oc1cccc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000179662475 835931253 /nfs/dbraw/zinc/93/12/53/835931253.db2.gz LXRBYUJKRPSHMU-SFHVURJKSA-N 0 1 383.536 3.849 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000179736527 835959669 /nfs/dbraw/zinc/95/96/69/835959669.db2.gz FFBFCSYTDREDRX-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000179736527 835959676 /nfs/dbraw/zinc/95/96/76/835959676.db2.gz FFBFCSYTDREDRX-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179740030 835960748 /nfs/dbraw/zinc/96/07/48/835960748.db2.gz UZAHWUCMNGGLCN-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000181373994 838038694 /nfs/dbraw/zinc/03/86/94/838038694.db2.gz HFOJRGSXMKLCFV-QAPCUYQASA-N 0 1 397.560 3.608 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN(C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC001167708181 838072375 /nfs/dbraw/zinc/07/23/75/838072375.db2.gz KYVBGVOZEBZFAX-QHCPKHFHSA-N 0 1 377.532 3.911 20 10 GHCDMN CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc(Br)c1[O-] ZINC000160648840 840226181 /nfs/dbraw/zinc/22/61/81/840226181.db2.gz YPIPPZRVKCNOGC-UHFFFAOYSA-N 0 1 393.281 3.624 20 10 GHCDMN COc1cccc(C(=O)N2CCC([NH2+]Cc3cc4ccccc4cc3[O-])CC2)c1 ZINC001167856881 842808043 /nfs/dbraw/zinc/80/80/43/842808043.db2.gz CXFSAVGPASNFAZ-UHFFFAOYSA-N 0 1 390.483 3.948 20 10 GHCDMN CCCC[C@H](COC)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001126336150 843252045 /nfs/dbraw/zinc/25/20/45/843252045.db2.gz IQJKVORCKIEGGX-GOSISDBHSA-N 0 1 385.552 3.729 20 10 GHCDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000277306228 845647724 /nfs/dbraw/zinc/64/77/24/845647724.db2.gz SFLNMPNRZSQYNK-SOUVJXGZSA-N 0 1 375.492 3.706 20 10 GHCDMN CCOc1cccc(CNCc2cc(OC)c(OC)cc2Br)c1O ZINC000105487650 845999276 /nfs/dbraw/zinc/99/92/76/845999276.db2.gz DEIYPNOBNWCFFB-UHFFFAOYSA-N 0 1 396.281 3.860 20 10 GHCDMN Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(O)c1O ZINC000273056674 847240601 /nfs/dbraw/zinc/24/06/01/847240601.db2.gz XMRPINKEUWQOBG-OAHLLOKOSA-N 0 1 384.480 3.592 20 10 GHCDMN CCCOc1cccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000255515998 847640574 /nfs/dbraw/zinc/64/05/74/847640574.db2.gz OEFGVFYYUHULIM-GHRIWEEISA-N 0 1 376.547 3.771 20 10 GHCDMN COc1cccc(NC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000731852777 861909492 /nfs/dbraw/zinc/90/94/92/861909492.db2.gz SDPMVPNDCWYZQD-QGZVFWFLSA-N 0 1 389.883 3.840 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(F)cc2)C1 ZINC000435637496 850714447 /nfs/dbraw/zinc/71/44/47/850714447.db2.gz NQGMYWCXFOKTRY-UHFFFAOYSA-N 0 1 379.479 3.863 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnc3ccccc3n2)C1 ZINC000435826986 850910192 /nfs/dbraw/zinc/91/01/92/850910192.db2.gz NZJRMAFOYFMFFT-UHFFFAOYSA-N 0 1 399.498 3.990 20 10 GHCDMN CC(C)N(CC(F)F)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435916969 850988176 /nfs/dbraw/zinc/98/81/76/850988176.db2.gz OXUJLWIXKWCIMX-UHFFFAOYSA-N 0 1 377.479 3.910 20 10 GHCDMN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)nc1 ZINC000436038832 851134764 /nfs/dbraw/zinc/13/47/64/851134764.db2.gz NLEOXIBNYHFIJE-UHFFFAOYSA-N 0 1 390.487 3.644 20 10 GHCDMN CC(C)n1ccc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000519519976 851207795 /nfs/dbraw/zinc/20/77/95/851207795.db2.gz YECIRADVMOUSAV-UHFFFAOYSA-N 0 1 393.535 3.502 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000894595168 851771609 /nfs/dbraw/zinc/77/16/09/851771609.db2.gz AQDMJRXCHHUGJO-LLVKDONJSA-N 0 1 390.705 3.578 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC2(CCOCC2)O1 ZINC000894595168 851771617 /nfs/dbraw/zinc/77/16/17/851771617.db2.gz AQDMJRXCHHUGJO-LLVKDONJSA-N 0 1 390.705 3.578 20 10 GHCDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000912110590 852083288 /nfs/dbraw/zinc/08/32/88/852083288.db2.gz PRXOTMQSQQTQKH-GUYCJALGSA-N 0 1 394.441 3.733 20 10 GHCDMN Cc1nc([C@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)n[nH]1 ZINC000894777760 852178864 /nfs/dbraw/zinc/17/88/64/852178864.db2.gz LGIRHKNYFSANIQ-LBPRGKRZSA-N 0 1 378.318 3.717 20 10 GHCDMN C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000128986027 856291020 /nfs/dbraw/zinc/29/10/20/856291020.db2.gz JBSCBPAWDQMMLD-IERDGZPVSA-N 0 1 399.922 3.633 20 10 GHCDMN Nc1c(Cl)cc(S(=O)(=O)Nc2cc(F)c(O)c(Cl)c2)cc1Cl ZINC001214489278 857358726 /nfs/dbraw/zinc/35/87/26/857358726.db2.gz AGIVEZKFLZITMV-UHFFFAOYSA-N 0 1 385.631 3.875 20 10 GHCDMN Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(C)n1-c1ccccc1C ZINC000761041171 857797560 /nfs/dbraw/zinc/79/75/60/857797560.db2.gz LKGLMPJVWJPFMA-UHFFFAOYSA-N 0 1 387.443 3.630 20 10 GHCDMN CC1CCC(N(C(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)C2CC2)CC1 ZINC000733610829 863063710 /nfs/dbraw/zinc/06/37/10/863063710.db2.gz YWTZUDHPLHBHJK-UHFFFAOYSA-N 0 1 399.579 3.525 20 10 GHCDMN O=C1c2ccccc2C(=O)N1CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613543 863065359 /nfs/dbraw/zinc/06/53/59/863065359.db2.gz AUPSMUXZHZORGG-UHFFFAOYSA-N 0 1 378.472 3.823 20 10 GHCDMN O=C1c2ccccc2C(=O)N1CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613543 863065370 /nfs/dbraw/zinc/06/53/70/863065370.db2.gz AUPSMUXZHZORGG-UHFFFAOYSA-N 0 1 378.472 3.823 20 10 GHCDMN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357618 859926195 /nfs/dbraw/zinc/92/61/95/859926195.db2.gz HKXMGIHHHOIHBO-SJORKVTESA-N 0 1 399.922 3.633 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3c4ccccc4C[C@H]3C)cc2F)CC1 ZINC000730133212 860873285 /nfs/dbraw/zinc/87/32/85/860873285.db2.gz MALSJAUUFWPTDL-QGZVFWFLSA-N 0 1 396.510 3.628 20 10 GHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000792703349 881628941 /nfs/dbraw/zinc/62/89/41/881628941.db2.gz VSOOGCADUOBQHP-UHFFFAOYSA-N 0 1 386.454 3.634 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C(F)F ZINC000897076312 864424047 /nfs/dbraw/zinc/42/40/47/864424047.db2.gz YPHOWVHXECDQJQ-CQSZACIVSA-N 0 1 395.837 3.773 20 10 GHCDMN CCc1cc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000739018601 865676625 /nfs/dbraw/zinc/67/66/25/865676625.db2.gz DGGSKNUOUYMYOT-UHFFFAOYSA-N 0 1 381.480 3.543 20 10 GHCDMN COc1ccc(OC(F)F)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121308192 866047100 /nfs/dbraw/zinc/04/71/00/866047100.db2.gz CLASLIKKKCWALS-UHFFFAOYSA-N 0 1 392.446 3.765 20 10 GHCDMN CCCCSCCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000303795198 866339849 /nfs/dbraw/zinc/33/98/49/866339849.db2.gz KOJOYZLRNSAHDP-UHFFFAOYSA-N 0 1 381.561 3.507 20 10 GHCDMN Cc1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000730228698 867589865 /nfs/dbraw/zinc/58/98/65/867589865.db2.gz WEVVSSVPTDRXPN-SFHVURJKSA-N 0 1 396.579 3.583 20 10 GHCDMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000744401595 868809043 /nfs/dbraw/zinc/80/90/43/868809043.db2.gz DXMVYAFDWBTCEI-CYBMUJFWSA-N 0 1 390.505 3.652 20 10 GHCDMN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181292076 870734853 /nfs/dbraw/zinc/73/48/53/870734853.db2.gz XYBTUPGVNKROBK-SFHVURJKSA-N 0 1 388.515 3.782 20 10 GHCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CN1C(=O)OC(C)(C)C ZINC001168830840 870886882 /nfs/dbraw/zinc/88/68/82/870886882.db2.gz UQWVDZNSLFILMF-FZMZJTMJSA-N 0 1 385.302 3.642 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cscn2)C1 ZINC000617822371 870951308 /nfs/dbraw/zinc/95/13/08/870951308.db2.gz MCGXRCWESVTCJA-OAHLLOKOSA-N 0 1 382.533 3.742 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000775581327 870954894 /nfs/dbraw/zinc/95/48/94/870954894.db2.gz YGZQEMUXCPVPDN-XQQFMLRXSA-N 0 1 385.302 3.672 20 10 GHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001193602360 871209694 /nfs/dbraw/zinc/20/96/94/871209694.db2.gz AKYOLTFNTBNPKZ-IIBYNOLFSA-N 0 1 387.863 3.930 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CC2(F)F)C1 ZINC000618594003 871754437 /nfs/dbraw/zinc/75/44/37/871754437.db2.gz BAVYFMPEPWGUAT-FQEVSTJZSA-N 0 1 375.463 3.569 20 10 GHCDMN Cc1ncsc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000766895364 872065207 /nfs/dbraw/zinc/06/52/07/872065207.db2.gz SWXODRKNWNJQDE-UHFFFAOYSA-N 0 1 383.517 3.916 20 10 GHCDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000857847477 882586020 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CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769008514 873769896 /nfs/dbraw/zinc/76/98/96/873769896.db2.gz ZGVOUULEHOBFOM-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000527937246 873777431 /nfs/dbraw/zinc/77/74/31/873777431.db2.gz HFMBFVREZZDESF-NOZJJQNGSA-N 0 1 378.192 3.805 20 10 GHCDMN COc1ccc([C@H](CO)N(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000769425904 874047115 /nfs/dbraw/zinc/04/71/15/874047115.db2.gz ZAPRKMCYMGEKPT-QFIPXVFZSA-N 0 1 399.491 3.759 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000769538060 874142506 /nfs/dbraw/zinc/14/25/06/874142506.db2.gz QLCQJVATICDWDP-UHFFFAOYSA-N 0 1 377.868 3.672 20 10 GHCDMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000769538060 874142511 /nfs/dbraw/zinc/14/25/11/874142511.db2.gz QLCQJVATICDWDP-UHFFFAOYSA-N 0 1 377.868 3.672 20 10 GHCDMN CC(C)c1noc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000769663675 874220741 /nfs/dbraw/zinc/22/07/41/874220741.db2.gz PDWDLVPUBHRZFU-UHFFFAOYSA-N 0 1 396.491 3.658 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@@H]1n1ccnc1 ZINC000121509465 874316382 /nfs/dbraw/zinc/31/63/82/874316382.db2.gz BYASHBCXIJZDND-JXFKEZNVSA-N 0 1 391.471 3.608 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc4ccccc4[nH]c3=O)cc2F)C[C@H](C)O1 ZINC001199413432 874977083 /nfs/dbraw/zinc/97/70/83/874977083.db2.gz OFIOWHKQZUOEHA-IYBDPMFKSA-N 0 1 395.478 3.983 20 10 GHCDMN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000771518015 875309095 /nfs/dbraw/zinc/30/90/95/875309095.db2.gz LJYSZSWUGVPIKE-HXUWFJFHSA-N 0 1 384.911 3.678 20 10 GHCDMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000776103227 875344320 /nfs/dbraw/zinc/34/43/20/875344320.db2.gz RSTCWNDRSQXJKE-YLJYHZDGSA-N 0 1 384.524 3.933 20 10 GHCDMN COc1cc(Br)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000771935476 875558370 /nfs/dbraw/zinc/55/83/70/875558370.db2.gz VIFGWSDSJMTQPR-KRWDZBQOSA-N 0 1 391.309 3.652 20 10 GHCDMN CN(C)c1ccc(CNCc2c(C(F)(F)F)cnn2C)c(C(F)(F)F)c1 ZINC000858211937 882945822 /nfs/dbraw/zinc/94/58/22/882945822.db2.gz VNTWOOKHBCFNMR-UHFFFAOYSA-N 0 1 380.336 3.814 20 10 GHCDMN O=C(NCCCSc1nccs1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000151650407 875737425 /nfs/dbraw/zinc/73/74/25/875737425.db2.gz STBVJSMMSFPIPQ-HNNXBMFYSA-N 0 1 394.566 3.745 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc4[nH]ccc43)cc2F)CC1 ZINC000106945234 876280417 /nfs/dbraw/zinc/28/04/17/876280417.db2.gz SDYKQYDFCUEPOZ-UHFFFAOYSA-N 0 1 395.482 3.771 20 10 GHCDMN CCOC(=O)C(=C(O)CSc1ncc(Cl)s1)c1nc(C)cs1 ZINC000849998763 876583653 /nfs/dbraw/zinc/58/36/53/876583653.db2.gz SRWAFEZDNFAGSV-JTQLQIEISA-N 0 1 376.912 3.570 20 10 GHCDMN CCOC(=O)C(C(=O)CSc1ncc(Cl)s1)c1nc(C)cs1 ZINC000849998763 876583666 /nfs/dbraw/zinc/58/36/66/876583666.db2.gz SRWAFEZDNFAGSV-JTQLQIEISA-N 0 1 376.912 3.570 20 10 GHCDMN CS(=O)(=O)CCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000850347709 876838621 /nfs/dbraw/zinc/83/86/21/876838621.db2.gz YXSKVENOXCCOEL-UHFFFAOYSA-N 0 1 390.288 3.735 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccccc3OC(F)(F)F)cc2)CC1 ZINC000850406275 876888228 /nfs/dbraw/zinc/88/82/28/876888228.db2.gz ZRIILMPJUXAMDH-UHFFFAOYSA-N 0 1 380.410 3.836 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1[O-] ZINC000787305287 877332950 /nfs/dbraw/zinc/33/29/50/877332950.db2.gz ZJVCTGVUNZBXDT-HZPDHXFCSA-N 0 1 384.495 3.980 20 10 GHCDMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(Br)c1[O-])C2 ZINC000179531132 877686124 /nfs/dbraw/zinc/68/61/24/877686124.db2.gz WISSJRIDNUXIPE-UHFFFAOYSA-N 0 1 375.266 3.671 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3Cc4ccccc4[C@@H]3C)cc2F)CC1 ZINC000746759767 878291751 /nfs/dbraw/zinc/29/17/51/878291751.db2.gz IGROKOLAKWGSNB-KRWDZBQOSA-N 0 1 396.510 3.754 20 10 GHCDMN CN1CCN(c2ccc(CNc3nnc(-c4ccc5c(c4)CCC5)o3)cc2)CC1 ZINC000788866030 878394246 /nfs/dbraw/zinc/39/42/46/878394246.db2.gz AFIJZBWXPAHEAP-UHFFFAOYSA-N 0 1 389.503 3.589 20 10 GHCDMN COc1cc2c(cc1CN[C@@H](C)c1ccc(N3CCOCC3)cc1)O[C@H](C)C2 ZINC000068478471 878607676 /nfs/dbraw/zinc/60/76/76/878607676.db2.gz RKHNVFISVJOGQR-SJORKVTESA-N 0 1 382.504 3.706 20 10 GHCDMN COc1ccc(OC)c(-c2csc(NC(=O)c3c(F)ccc(O)c3O)n2)c1 ZINC000790069574 879412957 /nfs/dbraw/zinc/41/29/57/879412957.db2.gz CPNMJEMQNVEWRE-UHFFFAOYSA-N 0 1 390.392 3.630 20 10 GHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC001203565209 912465799 /nfs/dbraw/zinc/46/57/99/912465799.db2.gz WMERWMXRGZTOJX-NOZJJQNGSA-N 0 1 393.119 3.510 20 10 GHCDMN O=C(C[C@@H](n1cccn1)C(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000854474767 879838439 /nfs/dbraw/zinc/83/84/39/879838439.db2.gz NNYFEIDKHZZKNZ-LLVKDONJSA-N 0 1 382.169 3.705 20 10 GHCDMN CCCN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1O ZINC000112691524 880086856 /nfs/dbraw/zinc/08/68/56/880086856.db2.gz UIKNABHFGHEHKE-UHFFFAOYSA-N 0 1 384.505 3.549 20 10 GHCDMN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000776807538 880449277 /nfs/dbraw/zinc/44/92/77/880449277.db2.gz JFZWUPWDGOVWBX-OLZOCXBDSA-N 0 1 385.302 3.501 20 10 GHCDMN O=C1/C(=C/c2cc(O)ccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)cc1 ZINC000772805158 881269369 /nfs/dbraw/zinc/26/93/69/881269369.db2.gz FXJZDNNWDRIOOM-ZSOIEALJSA-N 0 1 376.390 3.845 20 10 GHCDMN O=C(NCc1cc(Br)ccc1O)c1ccc(Nc2ccncc2)cc1 ZINC000804738041 883321821 /nfs/dbraw/zinc/32/18/21/883321821.db2.gz ZVVKSJYDSLQRAN-UHFFFAOYSA-N 0 1 398.260 3.645 20 10 GHCDMN O=C(NCCc1nc2ccccc2[nH]1)NCc1cc(Cl)cc(Cl)c1O ZINC000804880982 883428193 /nfs/dbraw/zinc/42/81/93/883428193.db2.gz MTVWWJDZFUXJBP-UHFFFAOYSA-N 0 1 379.247 3.617 20 10 GHCDMN Cc1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cnc1Cl ZINC000805135356 883616920 /nfs/dbraw/zinc/61/69/20/883616920.db2.gz KSMMBGLCXWCCPG-UHFFFAOYSA-N 0 1 381.668 3.534 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1N(C)C ZINC000805135696 883616878 /nfs/dbraw/zinc/61/68/78/883616878.db2.gz QRBUFBXKNMQJGD-UHFFFAOYSA-N 0 1 389.304 3.552 20 10 GHCDMN CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805172241 883655195 /nfs/dbraw/zinc/65/51/95/883655195.db2.gz LEOJFVMFCKCOHE-MEDUHNTESA-N 0 1 375.296 3.949 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000805241544 883685894 /nfs/dbraw/zinc/68/58/94/883685894.db2.gz APGYMTQWPBDHCF-DYEKYZERSA-N 0 1 393.361 3.878 20 10 GHCDMN Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n(-c2ccccn2)n1 ZINC000806169577 884390998 /nfs/dbraw/zinc/39/09/98/884390998.db2.gz NNKOPMKVDCSVEW-UHFFFAOYSA-N 0 1 392.246 3.910 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2nccn2)cc1 ZINC000806208341 884451628 /nfs/dbraw/zinc/45/16/28/884451628.db2.gz OFWCMVOWYBRZTG-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001142520133 884474213 /nfs/dbraw/zinc/47/42/13/884474213.db2.gz CAKSVDSIVLLPGS-JOCHJYFZSA-N 0 1 386.442 3.817 20 10 GHCDMN COC(=O)NCc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806279207 884533461 /nfs/dbraw/zinc/53/34/61/884533461.db2.gz IHHLMTWDZJICDI-UHFFFAOYSA-N 0 1 398.246 3.877 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)Cc2cc(C)ccc2C)c1 ZINC000762050981 885286735 /nfs/dbraw/zinc/28/67/35/885286735.db2.gz ZTPWOZHHEMOEGP-UHFFFAOYSA-N 0 1 396.531 3.676 20 10 GHCDMN Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837231 885802316 /nfs/dbraw/zinc/80/23/16/885802316.db2.gz IFNRNHUFUAGJNT-UHFFFAOYSA-N 0 1 379.247 3.597 20 10 GHCDMN O=C(CCc1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000807836883 885802346 /nfs/dbraw/zinc/80/23/46/885802346.db2.gz SMGDKTLIXBXSGK-UHFFFAOYSA-N 0 1 382.243 3.719 20 10 GHCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1OC ZINC000807838031 885804066 /nfs/dbraw/zinc/80/40/66/885804066.db2.gz HNUAAYKRKTZRJH-UHFFFAOYSA-N 0 1 386.231 3.655 20 10 GHCDMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1OCC ZINC000808114436 886026848 /nfs/dbraw/zinc/02/68/48/886026848.db2.gz YCCPMJHJXGXUQB-UHFFFAOYSA-N 0 1 389.832 3.783 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000862024323 886060689 /nfs/dbraw/zinc/06/06/89/886060689.db2.gz UXMPQJSNPZDXHS-SFHVURJKSA-N 0 1 383.536 3.678 20 10 GHCDMN COc1cc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc(OC)c1OC ZINC000862326262 886291810 /nfs/dbraw/zinc/29/18/10/886291810.db2.gz LYHGZZFNYMCPFN-UHFFFAOYSA-N 0 1 381.476 3.516 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354709 886313754 /nfs/dbraw/zinc/31/37/54/886313754.db2.gz FHJBBIGOXNYDAB-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354709 886313770 /nfs/dbraw/zinc/31/37/70/886313770.db2.gz FHJBBIGOXNYDAB-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000155097111 886380610 /nfs/dbraw/zinc/38/06/10/886380610.db2.gz ZBEJFZRBRLYXDT-INIZCTEOSA-N 0 1 389.565 3.680 20 10 GHCDMN CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000808729535 886744386 /nfs/dbraw/zinc/74/43/86/886744386.db2.gz LOAPLCBTTVKBDW-RLFYNMQTSA-N 0 1 378.266 3.690 20 10 GHCDMN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825562329 886788438 /nfs/dbraw/zinc/78/84/38/886788438.db2.gz KDAISQUHZLXKJT-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000915684649 887302590 /nfs/dbraw/zinc/30/25/90/887302590.db2.gz ZQUHJICIZNLIMW-NRFANRHFSA-N 0 1 396.535 3.906 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@]3(C)CCCO3)no2)C1 ZINC000809452222 887451456 /nfs/dbraw/zinc/45/14/56/887451456.db2.gz BZQFHATWVMKGGF-JOCHJYFZSA-N 0 1 380.492 3.865 20 10 GHCDMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000763012690 887541611 /nfs/dbraw/zinc/54/16/11/887541611.db2.gz FBROQALJPHRZPB-INIZCTEOSA-N 0 1 384.528 3.725 20 10 GHCDMN CCCC[N@@H+](CCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000809752554 887790718 /nfs/dbraw/zinc/79/07/18/887790718.db2.gz RUEJHSXCXHKEDB-UHFFFAOYSA-N 0 1 395.135 3.902 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209263 888321559 /nfs/dbraw/zinc/32/15/59/888321559.db2.gz ATCHYSASHAKAQL-KRWDZBQOSA-N 0 1 395.425 3.884 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237638 888336711 /nfs/dbraw/zinc/33/67/11/888336711.db2.gz DGFGNEBWTPZBOE-QGZVFWFLSA-N 0 1 395.425 3.884 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(O)ccc1Cl ZINC000810632274 888726762 /nfs/dbraw/zinc/72/67/62/888726762.db2.gz WDBVKVHQTSDSGC-AWEZNQCLSA-N 0 1 395.286 3.799 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1nc[nH]c1C(F)(F)F ZINC000830149983 890289512 /nfs/dbraw/zinc/28/95/12/890289512.db2.gz KHNGPIVRKZMTMT-UHFFFAOYSA-N 0 1 392.175 3.559 20 10 GHCDMN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000917141106 891456278 /nfs/dbraw/zinc/45/62/78/891456278.db2.gz KQMNEDNUROSKFV-GOSISDBHSA-N 0 1 399.510 3.566 20 10 GHCDMN COc1cc(C(=O)N2CCN(Cc3c(O)ccc4ccccc43)CC2)ccc1C ZINC000917474026 892031219 /nfs/dbraw/zinc/03/12/19/892031219.db2.gz VFSKFMLPAXXKQA-UHFFFAOYSA-N 0 1 390.483 3.820 20 10 GHCDMN CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000825797098 892658514 /nfs/dbraw/zinc/65/85/14/892658514.db2.gz QMIHDDSKYOBXHC-UHFFFAOYSA-N 0 1 376.384 3.514 20 10 GHCDMN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1(C)C ZINC001127434101 893094848 /nfs/dbraw/zinc/09/48/48/893094848.db2.gz YFQHDZBQVVQWHY-PBNUPURSSA-N 0 1 397.563 3.584 20 10 GHCDMN COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000825893189 893295494 /nfs/dbraw/zinc/29/54/94/893295494.db2.gz RQOSMTQBNYIQOE-CYBMUJFWSA-N 0 1 380.282 3.858 20 10 GHCDMN Nc1c(Cl)cc(Cl)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000876946893 893398910 /nfs/dbraw/zinc/39/89/10/893398910.db2.gz XWHGKLQCXIJMCQ-UHFFFAOYSA-N 0 1 384.282 3.841 20 10 GHCDMN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)[C@H]1C[C@@H]1C ZINC000815162113 893500085 /nfs/dbraw/zinc/50/00/85/893500085.db2.gz CUBKYTJEALCZSE-UUOWRZLLSA-N 0 1 392.547 3.812 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3sccc3Cl)cc2F)CC1 ZINC000796233027 913830359 /nfs/dbraw/zinc/83/03/59/913830359.db2.gz QRYGHEXTSOJPGH-UHFFFAOYSA-N 0 1 381.904 3.613 20 10 GHCDMN O=C(c1cccc(F)c1)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484724 894854119 /nfs/dbraw/zinc/85/41/19/894854119.db2.gz MNHYZVKAVZMGCL-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816499088 894879343 /nfs/dbraw/zinc/87/93/43/894879343.db2.gz DVIDIJRXCVKRRM-CQSZACIVSA-N 0 1 381.810 3.720 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774907436 913999855 /nfs/dbraw/zinc/99/98/55/913999855.db2.gz BQLHQWXYMMVJQC-GOSISDBHSA-N 0 1 398.415 3.638 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774907436 913999865 /nfs/dbraw/zinc/99/98/65/913999865.db2.gz BQLHQWXYMMVJQC-GOSISDBHSA-N 0 1 398.415 3.638 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774907439 914000160 /nfs/dbraw/zinc/00/01/60/914000160.db2.gz BQLHQWXYMMVJQC-SFHVURJKSA-N 0 1 398.415 3.638 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774907439 914000177 /nfs/dbraw/zinc/00/01/77/914000177.db2.gz BQLHQWXYMMVJQC-SFHVURJKSA-N 0 1 398.415 3.638 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nnc([C@H]2CCCO2)s1 ZINC000880886409 895965876 /nfs/dbraw/zinc/96/58/76/895965876.db2.gz PPLOZADDIXDTNQ-SNVBAGLBSA-N 0 1 389.264 3.724 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)cc1[O-] ZINC000817941183 895970918 /nfs/dbraw/zinc/97/09/18/895970918.db2.gz JIPZRUVPMJPTTP-PXAZEXFGSA-N 0 1 378.314 3.571 20 10 GHCDMN CC(C)[C@@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817958094 895978040 /nfs/dbraw/zinc/97/80/40/895978040.db2.gz HJZRRCRHAAQFFJ-PELKAZGASA-N 0 1 380.124 3.551 20 10 GHCDMN COc1ccc(N2CC[C@@H](CN[C@H](c3ncc[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000818341711 896119762 /nfs/dbraw/zinc/11/97/62/896119762.db2.gz DNMRJSYBOZLULV-KKSFZXQISA-N 0 1 380.467 3.763 20 10 GHCDMN COC1CCN(c2ccc(Cn3cc(CN(C)C4CCCCC4)nn3)cc2)CC1 ZINC000881379955 896315630 /nfs/dbraw/zinc/31/56/30/896315630.db2.gz FVKQSDMAKLLHJP-UHFFFAOYSA-N 0 1 397.567 3.706 20 10 GHCDMN Clc1nc2cc(Cl)ccn2c1CNCc1ccc(N2CCOCC2)cc1 ZINC000796275032 914089806 /nfs/dbraw/zinc/08/98/06/914089806.db2.gz DUTIGWXPUAHISR-UHFFFAOYSA-N 0 1 391.302 3.768 20 10 GHCDMN CC1CCN(c2cccc(NC(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)c2)CC1 ZINC000155732514 899039159 /nfs/dbraw/zinc/03/91/59/899039159.db2.gz LJAQPLDBOHGDLM-UHFFFAOYSA-N 0 1 394.500 3.700 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)nc1 ZINC000289747382 914328010 /nfs/dbraw/zinc/32/80/10/914328010.db2.gz MIUAYNLBHVEHNJ-ZDUSSCGKSA-N 0 1 394.288 3.671 20 10 GHCDMN Cc1nc(CNCc2cc(Br)ccc2O)sc1Br ZINC000824590823 899708016 /nfs/dbraw/zinc/70/80/16/899708016.db2.gz QJVAFNUOMURVRT-UHFFFAOYSA-N 0 1 392.116 3.972 20 10 GHCDMN COCCOc1cc(C)ccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825365742 900126270 /nfs/dbraw/zinc/12/62/70/900126270.db2.gz MPYNBIJBPKVPOR-UHFFFAOYSA-N 0 1 380.282 3.778 20 10 GHCDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186336749 914484889 /nfs/dbraw/zinc/48/48/89/914484889.db2.gz IHKHNENHJYPKRS-UHFFFAOYSA-N 0 1 391.674 3.621 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cc(F)ccc1F ZINC000886746829 901251306 /nfs/dbraw/zinc/25/13/06/901251306.db2.gz DLBUPDLSAKBDGH-NRFANRHFSA-N 0 1 387.474 3.907 20 10 GHCDMN CCOC(=O)CN(Cc1ccccc1)Cc1cc(Br)c(F)cc1O ZINC001144298798 901646798 /nfs/dbraw/zinc/64/67/98/901646798.db2.gz JLNDILNUAVPZDO-UHFFFAOYSA-N 0 1 396.256 3.859 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001144299195 901649590 /nfs/dbraw/zinc/64/95/90/901649590.db2.gz RDXIWFRJXKQVLZ-UHFFFAOYSA-N 0 1 380.213 3.581 20 10 GHCDMN COc1ccc(N2CCN(Cc3cc(Br)c(F)cc3O)CC2)cc1 ZINC001144299493 901649755 /nfs/dbraw/zinc/64/97/55/901649755.db2.gz YFSAPRBVYSWAOV-UHFFFAOYSA-N 0 1 395.272 3.625 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144300040 901650886 /nfs/dbraw/zinc/65/08/86/901650886.db2.gz PIYBMJARAWDTIX-GOSISDBHSA-N 0 1 399.304 3.661 20 10 GHCDMN Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)nc1 ZINC001144307948 901701150 /nfs/dbraw/zinc/70/11/50/901701150.db2.gz MPPASYKAKTXBFI-CYBMUJFWSA-N 0 1 381.245 3.651 20 10 GHCDMN CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@H]1C ZINC001144308720 901704961 /nfs/dbraw/zinc/70/49/61/901704961.db2.gz UTVTYOHXCMSECD-VXGBXAGGSA-N 0 1 388.277 3.705 20 10 GHCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1C(F)(F)F ZINC000775037518 914671590 /nfs/dbraw/zinc/67/15/90/914671590.db2.gz OCBDQFOSRNLTSL-UHFFFAOYSA-N 0 1 393.814 3.758 20 10 GHCDMN CS(=O)(=O)c1ccc(CNCc2c(O)cccc2Cl)cc1C(F)(F)F ZINC000775037518 914671596 /nfs/dbraw/zinc/67/15/96/914671596.db2.gz OCBDQFOSRNLTSL-UHFFFAOYSA-N 0 1 393.814 3.758 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1cccc(Br)c1 ZINC000775035208 914686757 /nfs/dbraw/zinc/68/67/57/914686757.db2.gz WTXKXHLZBKKSQD-HNNXBMFYSA-N 0 1 395.684 3.703 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC001203643176 914703984 /nfs/dbraw/zinc/70/39/84/914703984.db2.gz LVMGBTPLGLCGSB-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203643176 914703999 /nfs/dbraw/zinc/70/39/99/914703999.db2.gz LVMGBTPLGLCGSB-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203643176 914704008 /nfs/dbraw/zinc/70/40/08/914704008.db2.gz LVMGBTPLGLCGSB-GOSISDBHSA-N 0 1 381.314 3.522 20 10 GHCDMN Cc1cc(Br)cc(C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000048466831 903631024 /nfs/dbraw/zinc/63/10/24/903631024.db2.gz REJPXJFFQFLGBC-GJZGRUSLSA-N 0 1 398.345 3.687 20 10 GHCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000779192183 905294813 /nfs/dbraw/zinc/29/48/13/905294813.db2.gz GUPQKISPHLTBQB-IBGZPJMESA-N 0 1 387.277 3.559 20 10 GHCDMN CCCCN(CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1ccccc1O ZINC000801599563 921177160 /nfs/dbraw/zinc/17/71/60/921177160.db2.gz UEWLPYKYVBIWMD-UHFFFAOYSA-N 0 1 397.519 3.771 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC000181989502 907110943 /nfs/dbraw/zinc/11/09/43/907110943.db2.gz XZDPVLUXPHFJNB-HXUWFJFHSA-N 0 1 388.458 3.929 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC000181989525 907111320 /nfs/dbraw/zinc/11/13/20/907111320.db2.gz XZDPVLUXPHFJNB-FQEVSTJZSA-N 0 1 388.458 3.929 20 10 GHCDMN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1[O-] ZINC000185291011 907748754 /nfs/dbraw/zinc/74/87/54/907748754.db2.gz JAOAIZPTRAMNLU-JTQLQIEISA-N 0 1 381.236 3.832 20 10 GHCDMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC001177938385 908825489 /nfs/dbraw/zinc/82/54/89/908825489.db2.gz QTDZGOLDLWIDQY-IUODEOHRSA-N 0 1 384.904 3.896 20 10 GHCDMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000194724012 908917703 /nfs/dbraw/zinc/91/77/03/908917703.db2.gz UKZJTAAMVKOWKY-HUUCEWRRSA-N 0 1 399.450 3.535 20 10 GHCDMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000274401367 911325995 /nfs/dbraw/zinc/32/59/95/911325995.db2.gz QCLFXXPFSLKLOC-YWZLYKJASA-N 0 1 386.467 3.845 20 10 GHCDMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001182366961 911563358 /nfs/dbraw/zinc/56/33/58/911563358.db2.gz KBTBFTOKPDXIAF-GASCZTMLSA-N 0 1 386.467 3.645 20 10 GHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001182366961 911563370 /nfs/dbraw/zinc/56/33/70/911563370.db2.gz KBTBFTOKPDXIAF-GASCZTMLSA-N 0 1 386.467 3.645 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC001182684517 911966935 /nfs/dbraw/zinc/96/69/35/911966935.db2.gz MKVOBSGXXBNCBN-IAGOWNOFSA-N 0 1 396.915 3.598 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)N[C@@H](C)c3ccccc3C)CC2)cc1 ZINC000097476979 915587334 /nfs/dbraw/zinc/58/73/34/915587334.db2.gz OHHCFOGYYVLMOO-PMACEKPBSA-N 0 1 395.547 3.782 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)c(C)cc1O ZINC001188237109 915814487 /nfs/dbraw/zinc/81/44/87/915814487.db2.gz YEQMQZYXDSJSSN-UHFFFAOYSA-N 0 1 380.775 3.877 20 10 GHCDMN c1cc(Sc2ccccn2)oc1CNCc1ccc(N2CCOCC2)cc1 ZINC000293053179 915976244 /nfs/dbraw/zinc/97/62/44/915976244.db2.gz SEKBKSGHKDHMTK-UHFFFAOYSA-N 0 1 381.501 3.952 20 10 GHCDMN C[C@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000775259643 916697669 /nfs/dbraw/zinc/69/76/69/916697669.db2.gz JYRMNJPHLWPXDT-SFHVURJKSA-N 0 1 390.487 3.956 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000775376116 917263208 /nfs/dbraw/zinc/26/32/08/917263208.db2.gz SDHOQWWVQWHCDD-JTQLQIEISA-N 0 1 398.362 3.770 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488038 918243348 /nfs/dbraw/zinc/24/33/48/918243348.db2.gz GDTAMLHAUHYFOR-YOEHRIQHSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cc(Br)ccc1[O-] ZINC000775492148 918277932 /nfs/dbraw/zinc/27/79/32/918277932.db2.gz MMYSUGAYHVHVED-ZBFHGGJFSA-N 0 1 376.298 3.851 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000775510265 918444509 /nfs/dbraw/zinc/44/45/09/918444509.db2.gz ZDJYNFRZVLBYJP-JRGCBEDISA-N 0 1 388.939 3.969 20 10 GHCDMN O=C(NCC1CCCC1)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275845506 918552206 /nfs/dbraw/zinc/55/22/06/918552206.db2.gz XXIGTKJKTIDLOQ-QGZVFWFLSA-N 0 1 376.928 3.954 20 10 GHCDMN O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc21 ZINC000800925882 920607734 /nfs/dbraw/zinc/60/77/34/920607734.db2.gz OYBSQGNGQYRINL-UHFFFAOYSA-N 0 1 390.892 3.870 20 10 GHCDMN COc1ncccc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000801321135 920925879 /nfs/dbraw/zinc/92/58/79/920925879.db2.gz ADKTZYCXWCAURF-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902416160 922177646 /nfs/dbraw/zinc/17/76/46/922177646.db2.gz TUTSDBHHXJCUCC-KRWDZBQOSA-N 0 1 391.471 3.800 20 10 GHCDMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902416160 922177654 /nfs/dbraw/zinc/17/76/54/922177654.db2.gz TUTSDBHHXJCUCC-KRWDZBQOSA-N 0 1 391.471 3.800 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000903425757 923015763 /nfs/dbraw/zinc/01/57/63/923015763.db2.gz OPISZWAGXZCHQR-LBPRGKRZSA-N 0 1 380.897 3.801 20 10 GHCDMN COC(=O)c1nc(CNCc2cc(OC)cc(C(C)(C)C)c2O)ccc1Cl ZINC000826977682 924453515 /nfs/dbraw/zinc/45/35/15/924453515.db2.gz LHUIYUMKSJQFBN-UHFFFAOYSA-N 0 1 392.883 3.823 20 10 GHCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077592 925244739 /nfs/dbraw/zinc/24/47/39/925244739.db2.gz FKUNHUKJNNZOEB-KUHUBIRLSA-N 0 1 395.341 3.910 20 10 GHCDMN CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077592 925244741 /nfs/dbraw/zinc/24/47/41/925244741.db2.gz FKUNHUKJNNZOEB-KUHUBIRLSA-N 0 1 395.341 3.910 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1[O-] ZINC000827495441 925664615 /nfs/dbraw/zinc/66/46/15/925664615.db2.gz WRQJWSMNRCIMMN-KRWDZBQOSA-N 0 1 378.812 3.901 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1[O-] ZINC000827495441 925664619 /nfs/dbraw/zinc/66/46/19/925664619.db2.gz WRQJWSMNRCIMMN-KRWDZBQOSA-N 0 1 378.812 3.901 20 10 GHCDMN O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440573 925796443 /nfs/dbraw/zinc/79/64/43/925796443.db2.gz YLACNOZTZPCEAJ-HOCLYGCPSA-N 0 1 386.870 3.952 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000827934307 926322628 /nfs/dbraw/zinc/32/26/28/926322628.db2.gz KILFPVUAOZJTIX-KRWDZBQOSA-N 0 1 377.282 3.543 20 10 GHCDMN Cc1cc2c[nH]nc2c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000726534023 926728423 /nfs/dbraw/zinc/72/84/23/926728423.db2.gz SNNKIRWOURAZJC-FQEVSTJZSA-N 0 1 392.503 3.759 20 10 GHCDMN C[C@@H](NCc1cccc(Br)c1O)c1noc(Cc2ccccc2)n1 ZINC000751991301 928534721 /nfs/dbraw/zinc/53/47/21/928534721.db2.gz QMKSWGMUAKMZOO-GFCCVEGCSA-N 0 1 388.265 3.979 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752597547 928915202 /nfs/dbraw/zinc/91/52/02/928915202.db2.gz XODBMICYZSPYHL-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597547 928915211 /nfs/dbraw/zinc/91/52/11/928915211.db2.gz XODBMICYZSPYHL-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597547 928915222 /nfs/dbraw/zinc/91/52/22/928915222.db2.gz XODBMICYZSPYHL-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN C[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757657114 929761364 /nfs/dbraw/zinc/76/13/64/929761364.db2.gz LPJHEOFOBGCBGJ-AWEZNQCLSA-N 0 1 385.464 3.603 20 10 GHCDMN Cc1cc2c(ncnc2N2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)s1 ZINC000780485652 930531630 /nfs/dbraw/zinc/53/16/30/930531630.db2.gz UPBSOCJVVCEQBT-UHFFFAOYSA-N 0 1 391.500 3.576 20 10 GHCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905294 931020847 /nfs/dbraw/zinc/02/08/47/931020847.db2.gz MKPZBAHBQHMCGT-AWEZNQCLSA-N 0 1 383.330 3.591 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)n1 ZINC000924716863 931513393 /nfs/dbraw/zinc/51/33/93/931513393.db2.gz RJYJHQKYIWLKGI-CYBMUJFWSA-N 0 1 394.288 3.671 20 10 GHCDMN C[C@@H](N[C@@H](C)c1cnnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000924795185 931542131 /nfs/dbraw/zinc/54/21/31/931542131.db2.gz LONPYJPDVNSUCU-MSOLQXFVSA-N 0 1 377.492 3.516 20 10 GHCDMN Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000799150163 932889207 /nfs/dbraw/zinc/88/92/07/932889207.db2.gz LOJIINUDDUIQRO-FQEVSTJZSA-N 0 1 391.471 3.790 20 10 GHCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001116875224 933806841 /nfs/dbraw/zinc/80/68/41/933806841.db2.gz CFHSEVRTGVPBRU-YRILPIOLSA-N 0 1 389.293 3.828 20 10 GHCDMN COc1cccc(N2CCC([NH2+]Cc3c([O-])cccc3Br)CC2)c1 ZINC001118855210 934267432 /nfs/dbraw/zinc/26/74/32/934267432.db2.gz CEBKRRUNGLSYJE-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN COC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1Cl ZINC000828669173 935687180 /nfs/dbraw/zinc/68/71/80/935687180.db2.gz GEEIWDRKSUWSDP-HNNXBMFYSA-N 0 1 388.895 3.814 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001137835341 935815013 /nfs/dbraw/zinc/81/50/13/935815013.db2.gz DSFNKZVSVFAANM-QHCPKHFHSA-N 0 1 391.446 3.662 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001137836330 935815822 /nfs/dbraw/zinc/81/58/22/935815822.db2.gz ZAHVCQJHPPKPHI-IBGZPJMESA-N 0 1 395.400 3.803 20 10 GHCDMN CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594774828 981754961 /nfs/dbraw/zinc/75/49/61/981754961.db2.gz IFVVDPAIMVSALI-HNNXBMFYSA-N 0 1 378.444 3.568 20 10 GHCDMN CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594774828 981754966 /nfs/dbraw/zinc/75/49/66/981754966.db2.gz IFVVDPAIMVSALI-HNNXBMFYSA-N 0 1 378.444 3.568 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2cc(C)cnc2F)c1O ZINC001227494867 1032441031 /nfs/dbraw/zinc/44/10/31/1032441031.db2.gz JIZMXDGJDKDVDY-JTQLQIEISA-N 0 1 397.424 3.790 20 10 GHCDMN CO[C@@H](C)CCOc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660675 1032509007 /nfs/dbraw/zinc/50/90/07/1032509007.db2.gz BLIOXSVAQQEIQU-VIFPVBQESA-N 0 1 386.356 3.613 20 10 GHCDMN CCc1[nH]nc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1C ZINC000562543289 1018295751 /nfs/dbraw/zinc/29/57/51/1018295751.db2.gz LPOZHTBLPUTOLO-UHFFFAOYSA-N 0 1 379.508 3.640 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4scc(C)c43)CC2)cc1 ZINC001156257541 1032945349 /nfs/dbraw/zinc/94/53/49/1032945349.db2.gz WQSAKCRBHIUCLJ-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338355 1021444702 /nfs/dbraw/zinc/44/47/02/1021444702.db2.gz GPNDJPSLLVPBPO-NRFANRHFSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338355 1021444708 /nfs/dbraw/zinc/44/47/08/1021444708.db2.gz GPNDJPSLLVPBPO-NRFANRHFSA-N 0 1 388.870 3.809 20 10 GHCDMN COCCN(Cc1c(O)cccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140342584 1021455434 /nfs/dbraw/zinc/45/54/34/1021455434.db2.gz PWJCGTTVIUMVGI-AWEZNQCLSA-N 0 1 384.904 3.503 20 10 GHCDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140464368 1021755333 /nfs/dbraw/zinc/75/53/33/1021755333.db2.gz MUWRBJFQLGSJPH-MRXNPFEDSA-N 0 1 384.904 3.503 20 10 GHCDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140464368 1021755346 /nfs/dbraw/zinc/75/53/46/1021755346.db2.gz MUWRBJFQLGSJPH-MRXNPFEDSA-N 0 1 384.904 3.503 20 10 GHCDMN Cc1cc(Br)c(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000835035888 1021791606 /nfs/dbraw/zinc/79/16/06/1021791606.db2.gz MQNLYJWZLXLWQP-UHFFFAOYSA-N 0 1 381.339 3.945 20 10 GHCDMN C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581177 1022001647 /nfs/dbraw/zinc/00/16/47/1022001647.db2.gz MQXFGFYAFOCNBU-INIZCTEOSA-N 0 1 392.446 3.519 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581177 1022001657 /nfs/dbraw/zinc/00/16/57/1022001657.db2.gz MQXFGFYAFOCNBU-INIZCTEOSA-N 0 1 392.446 3.519 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(O)cc(F)cc1F ZINC001140585329 1022009300 /nfs/dbraw/zinc/00/93/00/1022009300.db2.gz FQLGVQMIOXWWTL-SFHVURJKSA-N 0 1 375.415 3.939 20 10 GHCDMN COC(=O)c1ccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2F)cc1 ZINC001140667590 1022219845 /nfs/dbraw/zinc/21/98/45/1022219845.db2.gz ZCRWXOAOMIJOKQ-JOCHJYFZSA-N 0 1 398.478 3.786 20 10 GHCDMN Cc1cc(C(=O)CN(CC(C)(C)O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000754669218 1022820877 /nfs/dbraw/zinc/82/08/77/1022820877.db2.gz VXRSWYRCRIIABU-UHFFFAOYSA-N 0 1 384.520 3.529 20 10 GHCDMN CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1O ZINC001140957741 1022998536 /nfs/dbraw/zinc/99/85/36/1022998536.db2.gz MHPRVUATLLZZJE-IBGZPJMESA-N 0 1 399.487 3.770 20 10 GHCDMN COCC[N@@H+](Cc1cc(Br)cs1)Cc1cccc(OC)c1O ZINC000756135694 1023532363 /nfs/dbraw/zinc/53/23/63/1023532363.db2.gz DIPWFMYZUBUGDQ-UHFFFAOYSA-N 0 1 386.311 3.873 20 10 GHCDMN COCCN(Cc1cc(Br)cs1)Cc1cccc(OC)c1O ZINC000756135694 1023532366 /nfs/dbraw/zinc/53/23/66/1023532366.db2.gz DIPWFMYZUBUGDQ-UHFFFAOYSA-N 0 1 386.311 3.873 20 10 GHCDMN COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000756378193 1023618202 /nfs/dbraw/zinc/61/82/02/1023618202.db2.gz BCTZIUOSYOSMBB-GFCCVEGCSA-N 0 1 393.281 3.590 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756478781 1023676326 /nfs/dbraw/zinc/67/63/26/1023676326.db2.gz JKMOJNNJVYVBTH-CQSZACIVSA-N 0 1 391.309 3.854 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756546963 1023708748 /nfs/dbraw/zinc/70/87/48/1023708748.db2.gz WVYGWOLKQHRQKD-UONOGXRCSA-N 0 1 393.453 3.973 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)c1 ZINC000756639415 1023748739 /nfs/dbraw/zinc/74/87/39/1023748739.db2.gz YNHBYTWKSROWOM-HIFRSBDPSA-N 0 1 376.884 3.992 20 10 GHCDMN Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000756766086 1023806218 /nfs/dbraw/zinc/80/62/18/1023806218.db2.gz IQUANKIWMVIWBG-UHFFFAOYSA-N 0 1 394.475 3.694 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000756767240 1023807300 /nfs/dbraw/zinc/80/73/00/1023807300.db2.gz DXTBGJUKODRKSZ-VXGBXAGGSA-N 0 1 387.318 3.966 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001138126918 1024173723 /nfs/dbraw/zinc/17/37/23/1024173723.db2.gz MQBWRTBLPPGXTO-RXVVDRJESA-N 0 1 390.430 3.516 20 10 GHCDMN COCCC[N@@H+](Cc1cccc(F)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138128550 1024177495 /nfs/dbraw/zinc/17/74/95/1024177495.db2.gz QSJDAOZVHNEVDZ-UHFFFAOYSA-N 0 1 396.503 3.769 20 10 GHCDMN CCOC(=O)c1[nH]c(C)c(CN2CCN(c3ccc(OCC)cc3)CC2)c1C ZINC001138140168 1024214170 /nfs/dbraw/zinc/21/41/70/1024214170.db2.gz DWQQNCUXQJZPFB-UHFFFAOYSA-N 0 1 385.508 3.529 20 10 GHCDMN COC(=O)c1ccccc1N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138220425 1024394478 /nfs/dbraw/zinc/39/44/78/1024394478.db2.gz CAFKYSLQYKMCQH-UHFFFAOYSA-N 0 1 393.531 3.786 20 10 GHCDMN CN1CCCc2cc(CN3CCN(c4ccc(-c5ncccn5)cc4)CC3)ccc21 ZINC001138359057 1024722627 /nfs/dbraw/zinc/72/26/27/1024722627.db2.gz IYVWVACMIGSROL-UHFFFAOYSA-N 0 1 399.542 3.848 20 10 GHCDMN CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1O ZINC000839173407 1025682119 /nfs/dbraw/zinc/68/21/19/1025682119.db2.gz VTBAGSHPTHGJNA-HIFRSBDPSA-N 0 1 384.295 3.579 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)cc1 ZINC001139082207 1025899895 /nfs/dbraw/zinc/89/98/95/1025899895.db2.gz KBGQHXFPQNOHLL-UHFFFAOYSA-N 0 1 390.487 3.990 20 10 GHCDMN COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)c1 ZINC001139130170 1025943647 /nfs/dbraw/zinc/94/36/47/1025943647.db2.gz SZQLLNQBXCYLED-LJQANCHMSA-N 0 1 393.439 3.931 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001139134242 1025947673 /nfs/dbraw/zinc/94/76/73/1025947673.db2.gz YOWCCHJSEVDSOK-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139134242 1025947678 /nfs/dbraw/zinc/94/76/78/1025947678.db2.gz YOWCCHJSEVDSOK-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139134242 1025947685 /nfs/dbraw/zinc/94/76/85/1025947685.db2.gz YOWCCHJSEVDSOK-IBGZPJMESA-N 0 1 392.499 3.903 20 10 GHCDMN Cc1ncsc1CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000839707572 1026216840 /nfs/dbraw/zinc/21/68/40/1026216840.db2.gz HFZQPKUNZREFJD-MRXNPFEDSA-N 0 1 393.940 3.524 20 10 GHCDMN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139682676 1026537679 /nfs/dbraw/zinc/53/76/79/1026537679.db2.gz AKHOCLVFCVRZDT-LUQKVYGDSA-N 0 1 387.474 3.798 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001139689737 1026542606 /nfs/dbraw/zinc/54/26/06/1026542606.db2.gz LBESTTMVZUKBDN-JTQLQIEISA-N 0 1 389.324 3.523 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001139928293 1026736980 /nfs/dbraw/zinc/73/69/80/1026736980.db2.gz YEQSZZUCEDZVDE-UHFFFAOYSA-N 0 1 398.551 3.937 20 10 GHCDMN CN(C)c1ccc(CN(C)Cc2ccc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001139928293 1026736989 /nfs/dbraw/zinc/73/69/89/1026736989.db2.gz YEQSZZUCEDZVDE-UHFFFAOYSA-N 0 1 398.551 3.937 20 10 GHCDMN Cc1ccc(C)c(CN2CCO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001140178473 1026951686 /nfs/dbraw/zinc/95/16/86/1026951686.db2.gz MHZWJNLHKNQSPM-QFIPXVFZSA-N 0 1 390.524 3.611 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccncc2)Cc2ccccc2O)C1 ZINC001203561320 1027434944 /nfs/dbraw/zinc/43/49/44/1027434944.db2.gz QFVGSPZBIJOTSB-IBGZPJMESA-N 0 1 383.492 3.799 20 10 GHCDMN COc1ccc(CN2CCN(Cc3ccncc3)c3nc(C)ccc3C2)c(O)c1 ZINC001203622692 1027483428 /nfs/dbraw/zinc/48/34/28/1027483428.db2.gz AJKGQJQEMXQSGI-UHFFFAOYSA-N 0 1 390.487 3.522 20 10 GHCDMN COc1ccc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC001203634836 1027491743 /nfs/dbraw/zinc/49/17/43/1027491743.db2.gz XRGAHZACBCLKIL-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN COc1ccc(CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@@H](C)O)cc1 ZINC001203636076 1027493520 /nfs/dbraw/zinc/49/35/20/1027493520.db2.gz OBMWHDZMBKVCMF-CQSZACIVSA-N 0 1 394.309 3.589 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@@H](C)O)cc1 ZINC001203636076 1027493526 /nfs/dbraw/zinc/49/35/26/1027493526.db2.gz OBMWHDZMBKVCMF-CQSZACIVSA-N 0 1 394.309 3.589 20 10 GHCDMN Cc1ccnc(O[C@H]2CCCN(Cc3cc(Br)ccc3O)C2)c1 ZINC001203648842 1027504641 /nfs/dbraw/zinc/50/46/41/1027504641.db2.gz XEBYQBYRKVTNQY-INIZCTEOSA-N 0 1 377.282 3.902 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc(OC)c(C)c3C)CC2)cc1 ZINC001203723447 1027554918 /nfs/dbraw/zinc/55/49/18/1027554918.db2.gz JYRBKZQBHQQYOU-UHFFFAOYSA-N 0 1 384.520 3.659 20 10 GHCDMN CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461285044 1069481559 /nfs/dbraw/zinc/48/15/59/1069481559.db2.gz WLMBKLKNZRLGND-UHFFFAOYSA-N 0 1 385.527 3.965 20 10 GHCDMN Fc1cc(CN[C@@H]2CCc3nc(Cl)ccc32)cc(F)c1N1CCOCC1 ZINC000840759068 1027797701 /nfs/dbraw/zinc/79/77/01/1027797701.db2.gz UIWVXGRUJOHUFH-MRXNPFEDSA-N 0 1 379.838 3.627 20 10 GHCDMN COc1ccc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1OC ZINC000840761044 1027802727 /nfs/dbraw/zinc/80/27/27/1027802727.db2.gz OJQVTIUCMQGXHW-AWEZNQCLSA-N 0 1 392.446 3.669 20 10 GHCDMN C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000840865018 1027903016 /nfs/dbraw/zinc/90/30/16/1027903016.db2.gz SNDPQBCQMLVKAI-WFASDCNBSA-N 0 1 393.281 3.926 20 10 GHCDMN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1O ZINC000840870386 1027908963 /nfs/dbraw/zinc/90/89/63/1027908963.db2.gz ZBIRXBOQYKDNTH-SSDOTTSWSA-N 0 1 394.166 3.953 20 10 GHCDMN C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1[O-] ZINC000840870386 1027908968 /nfs/dbraw/zinc/90/89/68/1027908968.db2.gz ZBIRXBOQYKDNTH-SSDOTTSWSA-N 0 1 394.166 3.953 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c1 ZINC000840883249 1027919958 /nfs/dbraw/zinc/91/99/58/1027919958.db2.gz FHVIVZSNXPDDIF-UHFFFAOYSA-N 0 1 378.875 3.744 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001142517400 1029021665 /nfs/dbraw/zinc/02/16/65/1029021665.db2.gz LZARBUXDAFTCBP-LJQANCHMSA-N 0 1 395.400 3.803 20 10 GHCDMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)c(C)n1-c1ccc(Br)cn1 ZINC000842636862 1029444043 /nfs/dbraw/zinc/44/40/43/1029444043.db2.gz MERLZXOBRCFIAT-AWEZNQCLSA-N 0 1 388.269 3.726 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842744441 1029553449 /nfs/dbraw/zinc/55/34/49/1029553449.db2.gz VKZPMOPZXHDBFM-GFCCVEGCSA-N 0 1 390.281 3.535 20 10 GHCDMN O=C1NCCc2c(NCc3cc(Cl)cc(Br)c3O)cccc21 ZINC001461576400 1069619202 /nfs/dbraw/zinc/61/92/02/1069619202.db2.gz CBEIQDKGLGUFJQ-UHFFFAOYSA-N 0 1 381.657 3.706 20 10 GHCDMN COc1ccc(-c2noc(-c3cc4cc(O)c(O)cc4oc3=O)n2)cc1Cl ZINC001217553351 1030488070 /nfs/dbraw/zinc/48/80/70/1030488070.db2.gz BEDDOVUGKUVYIY-UHFFFAOYSA-N 0 1 386.747 3.583 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cc(F)c2[O-])C1=O ZINC001276881265 1030524572 /nfs/dbraw/zinc/52/45/72/1030524572.db2.gz MSIBRAJTEUAKIF-SGTLLEGYSA-N 0 1 399.304 3.659 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cc(F)c2[O-])C1=O ZINC001276881265 1030524582 /nfs/dbraw/zinc/52/45/82/1030524582.db2.gz MSIBRAJTEUAKIF-SGTLLEGYSA-N 0 1 399.304 3.659 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2(C)CC(F)(F)C2)C1 ZINC001154044697 1031898838 /nfs/dbraw/zinc/89/88/38/1031898838.db2.gz ZCNQVOUMJPEFIM-UHFFFAOYSA-N 0 1 375.463 3.712 20 10 GHCDMN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C)cc(OC)c1O ZINC001205385972 1033389718 /nfs/dbraw/zinc/38/97/18/1033389718.db2.gz WJUBHJROMKYILV-KRWDZBQOSA-N 0 1 378.513 3.931 20 10 GHCDMN C[N@H+]1CCC[C@@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414209 1033469213 /nfs/dbraw/zinc/46/92/13/1033469213.db2.gz JWXFMCZNWUUXIQ-FZFLATATSA-N 0 1 391.449 3.527 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4ncccc4C)C3)C2)cc1 ZINC001205778474 1033567801 /nfs/dbraw/zinc/56/78/01/1033567801.db2.gz DTUKGMXQPZJHHP-QHCPKHFHSA-N 0 1 381.520 3.518 20 10 GHCDMN COc1cc(O)c2c(=O)c(O[C@@H]3C=CCC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229791342 1033717583 /nfs/dbraw/zinc/71/75/83/1033717583.db2.gz PMQQHCBAECHEGM-GFCCVEGCSA-N 0 1 382.368 3.683 20 10 GHCDMN CO[C@@H]1CCN(CCOC2=CC(=O)C=CC2=NNc2ccc([N+](=O)[O-])cc2)C1 ZINC001230211803 1033946352 /nfs/dbraw/zinc/94/63/52/1033946352.db2.gz HUWOCWOLVDYAQP-SGRLSNSRSA-N 0 1 386.408 3.815 20 10 GHCDMN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453977 1034599062 /nfs/dbraw/zinc/59/90/62/1034599062.db2.gz MTLUBRIIEAAPLX-OALUTQOASA-N 0 1 383.444 3.749 20 10 GHCDMN CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453977 1034599067 /nfs/dbraw/zinc/59/90/67/1034599067.db2.gz MTLUBRIIEAAPLX-OALUTQOASA-N 0 1 383.444 3.749 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@H]2CCCC=C21 ZINC001231569380 1034718871 /nfs/dbraw/zinc/71/88/71/1034718871.db2.gz XISKYTVEWJDYTE-INIZCTEOSA-N 0 1 388.464 3.580 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)[C@H]2CCCC=C21 ZINC001231569380 1034718883 /nfs/dbraw/zinc/71/88/83/1034718883.db2.gz XISKYTVEWJDYTE-INIZCTEOSA-N 0 1 388.464 3.580 20 10 GHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001231588965 1034743862 /nfs/dbraw/zinc/74/38/62/1034743862.db2.gz SZDCLLRIYWFUJO-DVECYGJZSA-N 0 1 390.483 3.606 20 10 GHCDMN Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231589234 1034744036 /nfs/dbraw/zinc/74/40/36/1034744036.db2.gz YXSIVNNMUJQYHP-UHFFFAOYSA-N 0 1 377.488 3.764 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001231855636 1034945828 /nfs/dbraw/zinc/94/58/28/1034945828.db2.gz XOBALRHBSZFIRE-APWZRJJASA-N 0 1 389.540 3.593 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1Cl ZINC001231868869 1034955212 /nfs/dbraw/zinc/95/52/12/1034955212.db2.gz HJVMBBWYIGYWJV-GOSISDBHSA-N 0 1 384.907 3.992 20 10 GHCDMN [O-]c1c(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)ccc2ccccc21 ZINC001231878894 1034963099 /nfs/dbraw/zinc/96/30/99/1034963099.db2.gz ROJPXFSKULHPNH-REWPJTCUSA-N 0 1 376.456 3.753 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)ccc2ccccc21 ZINC001231878894 1034963101 /nfs/dbraw/zinc/96/31/01/1034963101.db2.gz ROJPXFSKULHPNH-REWPJTCUSA-N 0 1 376.456 3.753 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001231909880 1034984697 /nfs/dbraw/zinc/98/46/97/1034984697.db2.gz HABBDYQLEZMEKI-LAUBAEHRSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001231911167 1034985322 /nfs/dbraw/zinc/98/53/22/1034985322.db2.gz DUCTYANVRBZTGS-SIXWZSSISA-N 0 1 394.924 3.698 20 10 GHCDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231912748 1034987114 /nfs/dbraw/zinc/98/71/14/1034987114.db2.gz WVDJQOGYQRAVIK-UHFFFAOYSA-N 0 1 398.931 3.894 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(Cl)c2O)CC(F)(F)C1 ZINC001231914765 1034987981 /nfs/dbraw/zinc/98/79/81/1034987981.db2.gz PXICEDIQWDKNDW-GFCCVEGCSA-N 0 1 376.831 3.780 20 10 GHCDMN COc1ccc(Cn2cc3[nH]c(NCc4cccc(C)c4O)ccc-3c2=O)cc1 ZINC001160769988 1035063159 /nfs/dbraw/zinc/06/31/59/1035063159.db2.gz OYVFHEZWUGRKGG-UHFFFAOYSA-N 0 1 389.455 3.872 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)C2CCCCC2)cc1I ZINC001248459554 1035883592 /nfs/dbraw/zinc/88/35/92/1035883592.db2.gz ZCEXEVHTTYUYPB-UHFFFAOYSA-N 0 1 375.250 3.770 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1I ZINC001248494239 1035914225 /nfs/dbraw/zinc/91/42/25/1035914225.db2.gz NTUAVQQITRINHF-YPMHNXCESA-N 0 1 387.261 3.770 20 10 GHCDMN CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC001462148430 1070035545 /nfs/dbraw/zinc/03/55/45/1070035545.db2.gz PTKRBCAMQGJISV-INIZCTEOSA-N 0 1 390.705 3.578 20 10 GHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC001462148430 1070035558 /nfs/dbraw/zinc/03/55/58/1070035558.db2.gz PTKRBCAMQGJISV-INIZCTEOSA-N 0 1 390.705 3.578 20 10 GHCDMN COc1cc(O)c(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001232267180 1037988635 /nfs/dbraw/zinc/98/86/35/1037988635.db2.gz ZCFUFQUKHXWWJS-UHFFFAOYSA-N 0 1 396.915 3.887 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1Cl ZINC001232269488 1037991453 /nfs/dbraw/zinc/99/14/53/1037991453.db2.gz BYQXKJYXCMQGPF-FXAWDEMLSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1Cl ZINC001232269488 1037991457 /nfs/dbraw/zinc/99/14/57/1037991457.db2.gz BYQXKJYXCMQGPF-FXAWDEMLSA-N 0 1 388.895 3.678 20 10 GHCDMN COc1cc(O)c(CN2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001232271534 1037995330 /nfs/dbraw/zinc/99/53/30/1037995330.db2.gz WERGAMMNRLJLNV-DOMZBBRYSA-N 0 1 384.904 3.789 20 10 GHCDMN COc1cc(O)c(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1Cl ZINC001232270841 1037995641 /nfs/dbraw/zinc/99/56/41/1037995641.db2.gz KBNNOKSZWGLVNR-CQSZACIVSA-N 0 1 384.904 3.886 20 10 GHCDMN CN1CCN(c2cccc(NC(=S)Nc3c(F)cc(F)cc3F)c2)CC1 ZINC001247421897 1038179436 /nfs/dbraw/zinc/17/94/36/1038179436.db2.gz BMKVXOIILQIEJD-UHFFFAOYSA-N 0 1 380.439 3.665 20 10 GHCDMN COC(=O)c1c(CN2CCC[C@@H](Oc3cc(C)ccn3)C2)c2ccccc2n1C ZINC001232404110 1038187254 /nfs/dbraw/zinc/18/72/54/1038187254.db2.gz MJWXBZBSJJEDCK-QGZVFWFLSA-N 0 1 393.487 3.712 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c([O-])cc3O)CC2)C1=O ZINC001277662662 1038209123 /nfs/dbraw/zinc/20/91/23/1038209123.db2.gz VBNXURSXAIVZGW-VBKZILBWSA-N 0 1 380.916 3.754 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c([O-])cc3O)CC2)C1=O ZINC001277662662 1038209141 /nfs/dbraw/zinc/20/91/41/1038209141.db2.gz VBNXURSXAIVZGW-VBKZILBWSA-N 0 1 380.916 3.754 20 10 GHCDMN CCCCN1CCC2(CC[NH+](Cc3cc(Cl)c(OC)cc3[O-])CC2)C1=O ZINC001277666043 1038230105 /nfs/dbraw/zinc/23/01/05/1038230105.db2.gz NIZQOFOJWKQRMG-UHFFFAOYSA-N 0 1 380.916 3.669 20 10 GHCDMN COC(C[N@@H+](Cc1ccccc1)Cc1c([O-])cc(Br)cc1F)OC ZINC001233027250 1038778183 /nfs/dbraw/zinc/77/81/83/1038778183.db2.gz OPNFATLXDVZFKV-UHFFFAOYSA-N 0 1 398.272 3.915 20 10 GHCDMN [O-]c1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001233027215 1038778232 /nfs/dbraw/zinc/77/82/32/1038778232.db2.gz NFFQZCGXIYATCT-ZDUSSCGKSA-N 0 1 386.183 3.573 20 10 GHCDMN Oc1cc(Br)cc(F)c1CN1CCN(c2cccc(F)c2)CC1 ZINC001233031394 1038786157 /nfs/dbraw/zinc/78/61/57/1038786157.db2.gz BEOVWVFXIJHZOO-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C(F)(F)F)C1 ZINC001233079402 1038846400 /nfs/dbraw/zinc/84/64/00/1038846400.db2.gz AUHDZSVYFFVWIT-GFCCVEGCSA-N 0 1 396.356 3.654 20 10 GHCDMN COc1cc(O)c(CN2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)cc1Br ZINC001233138439 1038917729 /nfs/dbraw/zinc/91/77/29/1038917729.db2.gz ZTXNSEXURVJIKU-GJZGRUSLSA-N 0 1 388.261 3.575 20 10 GHCDMN COc1cc(C[N@H+](C)Cc2cc(Br)c(OC)cc2[O-])cc(OC)c1 ZINC001233138984 1038918749 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Oc1cccc(Br)c1CNCc1ccncc1OCC(F)(F)F ZINC000858162228 882899654 /nfs/dbraw/zinc/89/96/54/882899654.db2.gz SYVMZOXRIUFWDB-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000772481445 875985273 /nfs/dbraw/zinc/98/52/73/875985273.db2.gz QOHKXBHCRASXLK-UHFFFAOYSA-N 0 1 378.411 3.609 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1F ZINC001202436697 876207034 /nfs/dbraw/zinc/20/70/34/876207034.db2.gz YUZMVJTUOYXQBV-NZSAHSFTSA-N 0 1 378.467 3.514 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3nc(Br)cs3)C2)cc1 ZINC000850485882 876959834 /nfs/dbraw/zinc/95/98/34/876959834.db2.gz CBCJCIDTNGKFHW-NEPJUHHUSA-N 0 1 382.327 3.844 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccccc1 ZINC000746678781 877373606 /nfs/dbraw/zinc/37/36/06/877373606.db2.gz YTJVSUZUVQJPPL-LJQANCHMSA-N 0 1 376.504 3.575 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000109982011 877701352 /nfs/dbraw/zinc/70/13/52/877701352.db2.gz NRPDPQSOTRGMAW-UHFFFAOYSA-N 0 1 395.547 3.587 20 10 GHCDMN CC(C)n1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000171840254 878001620 /nfs/dbraw/zinc/00/16/20/878001620.db2.gz XETFYVVSXAQXMD-UHFFFAOYSA-N 0 1 382.430 3.609 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000179990639 878330506 /nfs/dbraw/zinc/33/05/06/878330506.db2.gz GAGHUVXCBGLTEN-UHFFFAOYSA-N 0 1 385.302 3.598 20 10 GHCDMN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000852596745 878449553 /nfs/dbraw/zinc/44/95/53/878449553.db2.gz OKZZUWHRJIFQPU-WBMJQRKESA-N 0 1 397.306 3.643 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000746776352 878481402 /nfs/dbraw/zinc/48/14/02/878481402.db2.gz CZQGQDLPUZAKGM-HXUWFJFHSA-N 0 1 388.943 3.850 20 10 GHCDMN Cc1ccc(Cc2cnc(NC(=O)c3c(F)ccc(O)c3O)s2)cc1F ZINC000790069157 879412896 /nfs/dbraw/zinc/41/28/96/879412896.db2.gz MCILTXCJBQQFPJ-UHFFFAOYSA-N 0 1 376.384 3.984 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3ccnn3-c3ccccc3)cc2F)C[C@H](C)O1 ZINC000790467600 879770214 /nfs/dbraw/zinc/77/02/14/879770214.db2.gz IDXOIVFWCWHHEC-HDICACEKSA-N 0 1 394.494 3.915 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)cc(N2CCOCC2)c1 ZINC000854473990 879836758 /nfs/dbraw/zinc/83/67/58/879836758.db2.gz HRTNCZZYQOMAPI-UHFFFAOYSA-N 0 1 399.249 3.605 20 10 GHCDMN O=C(CCCc1ccccc1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166329 880957860 /nfs/dbraw/zinc/95/78/60/880957860.db2.gz XIMJITDFOIIOPI-UHFFFAOYSA-N 0 1 390.886 3.852 20 10 GHCDMN CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(Br)ccc1[O-] ZINC000858540544 883184316 /nfs/dbraw/zinc/18/43/16/883184316.db2.gz IEAKDAOJCCTZTF-OAHLLOKOSA-N 0 1 383.330 3.844 20 10 GHCDMN C[N@@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])Cc1ccccc1 ZINC000804977210 883525750 /nfs/dbraw/zinc/52/57/50/883525750.db2.gz OOTDDRXAMCGMMJ-UHFFFAOYSA-N 0 1 382.291 3.630 20 10 GHCDMN COc1ccc(O[C@@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805159638 883637565 /nfs/dbraw/zinc/63/75/65/883637565.db2.gz LVJNAIJBSZTBLN-NSHDSACASA-N 0 1 399.274 3.974 20 10 GHCDMN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805172236 883655188 /nfs/dbraw/zinc/65/51/88/883655188.db2.gz LEOJFVMFCKCOHE-BDJLRTHQSA-N 0 1 375.296 3.949 20 10 GHCDMN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805174725 883656621 /nfs/dbraw/zinc/65/66/21/883656621.db2.gz KQXFECGLVKDMCO-VXMWWYGOSA-N 0 1 393.336 3.578 20 10 GHCDMN O=C(NCC[C@@H]1COc2ccccc2O1)NCc1cc(Cl)cc(Cl)c1O ZINC000805216004 883697169 /nfs/dbraw/zinc/69/71/69/883697169.db2.gz CWUKBGFUMKLWFF-CYBMUJFWSA-N 0 1 397.258 3.728 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@@]3(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC000859381486 883786872 /nfs/dbraw/zinc/78/68/72/883786872.db2.gz QXYOOLJUPMCQQI-QHCPKHFHSA-N 0 1 388.552 3.998 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000806185277 884428423 /nfs/dbraw/zinc/42/84/23/884428423.db2.gz LJDBSRCNBDKGCG-UHFFFAOYSA-N 0 1 380.231 3.905 20 10 GHCDMN COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1NC(C)=O ZINC000806185199 884428608 /nfs/dbraw/zinc/42/86/08/884428608.db2.gz TVNSZONVSBCICQ-UHFFFAOYSA-N 0 1 398.246 3.988 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc2ncsc2c1 ZINC000807511865 885496633 /nfs/dbraw/zinc/49/66/33/885496633.db2.gz YSIFHRXGDWKELO-UHFFFAOYSA-N 0 1 396.255 3.564 20 10 GHCDMN CC(C)(C)c1nnc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn21 ZINC000807835980 885800618 /nfs/dbraw/zinc/80/06/18/885800618.db2.gz DAYCBIICNXXQSV-UHFFFAOYSA-N 0 1 393.274 3.969 20 10 GHCDMN COC(=O)c1ccccc1CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836211 885800832 /nfs/dbraw/zinc/80/08/32/885800832.db2.gz RWOQGGSDAXDEBW-UHFFFAOYSA-N 0 1 382.243 3.735 20 10 GHCDMN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777236653 886261039 /nfs/dbraw/zinc/26/10/39/886261039.db2.gz ZCUXTOSOLXVHDM-OAHLLOKOSA-N 0 1 384.451 3.731 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000808794456 886790095 /nfs/dbraw/zinc/79/00/95/886790095.db2.gz KLLLJXYGLIODMB-OAQYLSRUSA-N 0 1 391.870 3.814 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000808794456 886790104 /nfs/dbraw/zinc/79/01/04/886790104.db2.gz KLLLJXYGLIODMB-OAQYLSRUSA-N 0 1 391.870 3.814 20 10 GHCDMN CCOc1cc(F)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000864356478 887723158 /nfs/dbraw/zinc/72/31/58/887723158.db2.gz OZKBDTSERCGQOK-MHWRWJLKSA-N 0 1 380.510 3.520 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1[O-] ZINC000809768720 887754641 /nfs/dbraw/zinc/75/46/41/887754641.db2.gz VGAQMVRGQMWPOS-HNNXBMFYSA-N 0 1 386.839 3.968 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000810059690 888108085 /nfs/dbraw/zinc/10/80/85/888108085.db2.gz XYUDPMRDEOPHOS-MOPGFXCFSA-N 0 1 376.859 3.922 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211163 888321189 /nfs/dbraw/zinc/32/11/89/888321189.db2.gz NYJRXDSLKYQNDE-GOEBONIOSA-N 0 1 380.414 3.911 20 10 GHCDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(Br)ccc1[O-] ZINC000810245495 888345775 /nfs/dbraw/zinc/34/57/75/888345775.db2.gz CUVPXJKELKOEPI-SOVGHPHASA-N 0 1 376.294 3.972 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)c3cn[nH]c3-c3ccccn3)cc2)CC1 ZINC000810369434 888465398 /nfs/dbraw/zinc/46/53/98/888465398.db2.gz JCEITRJQRIBTGK-UHFFFAOYSA-N 0 1 375.476 3.638 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000127772304 891747535 /nfs/dbraw/zinc/74/75/35/891747535.db2.gz RRCTUESATAZVGH-JOCHJYFZSA-N 0 1 386.536 3.582 20 10 GHCDMN CCOc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000813685337 891875209 /nfs/dbraw/zinc/87/52/09/891875209.db2.gz GKRJFWLLQMIDEN-UHFFFAOYSA-N 0 1 385.203 3.936 20 10 GHCDMN Cn1cc(Br)cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685726 891876954 /nfs/dbraw/zinc/87/69/54/891876954.db2.gz PQAGAUUVZYLNLH-UHFFFAOYSA-N 0 1 378.053 3.730 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cnc4ccccc4n3)cc2F)C[C@H](C)O1 ZINC000917435670 891996278 /nfs/dbraw/zinc/99/62/78/891996278.db2.gz OWQAAMWNSMAMPC-HOTGVXAUSA-N 0 1 380.467 3.672 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1C ZINC000125109458 892290916 /nfs/dbraw/zinc/29/09/16/892290916.db2.gz HEELNXRXBJGJAN-DENIHFKCSA-N 0 1 393.531 3.576 20 10 GHCDMN Cc1ccc([C@H](NCc2cc(Cl)c(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000825762754 892447849 /nfs/dbraw/zinc/44/78/49/892447849.db2.gz RRCQGBBFEDPBST-IFXJQAMLSA-N 0 1 381.925 3.926 20 10 GHCDMN CC(C)Cn1cc([C@H]2[N@H+](Cc3ccc(F)c(F)c3[O-])CC23CCOCC3)cn1 ZINC000877632534 893731991 /nfs/dbraw/zinc/73/19/91/893731991.db2.gz DGAZQWMLQNBEOF-HXUWFJFHSA-N 0 1 391.462 3.877 20 10 GHCDMN CC(C)Cn1cc([C@H]2[N@@H+](Cc3ccc(F)c(F)c3[O-])CC23CCOCC3)cn1 ZINC000877632534 893732002 /nfs/dbraw/zinc/73/20/02/893732002.db2.gz DGAZQWMLQNBEOF-HXUWFJFHSA-N 0 1 391.462 3.877 20 10 GHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000816483274 894851762 /nfs/dbraw/zinc/85/17/62/894851762.db2.gz MODFEQGDMHZPDR-CYBMUJFWSA-N 0 1 378.879 3.882 20 10 GHCDMN O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000816516807 894893613 /nfs/dbraw/zinc/89/36/13/894893613.db2.gz RJBFWSVWQYHVLE-UHFFFAOYSA-N 0 1 376.815 3.700 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000816548444 894916427 /nfs/dbraw/zinc/91/64/27/894916427.db2.gz HWQYIMFCPXVFDV-ZDUSSCGKSA-N 0 1 395.881 3.926 20 10 GHCDMN COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816616010 894977899 /nfs/dbraw/zinc/97/78/99/894977899.db2.gz MBACSDXLFIUSLT-HSZRJFAPSA-N 0 1 381.472 3.646 20 10 GHCDMN COc1ccc(N2CC[C@H](CN[C@H](c3ccn(C)n3)c3ccc(F)cc3)C2)cc1 ZINC000818341829 896121325 /nfs/dbraw/zinc/12/13/25/896121325.db2.gz HIYMDNXNJNDVAE-HXOBKFHXSA-N 0 1 394.494 3.773 20 10 GHCDMN COc1ccc(N2CC[C@@H](CN[C@H](c3ccc(F)cc3)c3cnccn3)C2)cc1 ZINC000818342763 896123022 /nfs/dbraw/zinc/12/30/22/896123022.db2.gz VKSHSEUQHZMKHJ-GAJHUEQPSA-N 0 1 392.478 3.830 20 10 GHCDMN O=C(c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185942731 914184741 /nfs/dbraw/zinc/18/47/41/914184741.db2.gz AYGMJAIRUXTLLI-UHFFFAOYSA-N 0 1 395.415 3.734 20 10 GHCDMN C[C@@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21 ZINC000822182164 898246962 /nfs/dbraw/zinc/24/69/62/898246962.db2.gz GQHFUVGRMBVBFO-HUUCEWRRSA-N 0 1 396.491 3.898 20 10 GHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001136972126 899928092 /nfs/dbraw/zinc/92/80/92/899928092.db2.gz BNBOBBFRXNYGGK-UHFFFAOYSA-N 0 1 392.411 3.570 20 10 GHCDMN CCOCCOCc1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825115121 899987429 /nfs/dbraw/zinc/98/74/29/899987429.db2.gz ZIGRFASZIJRWCV-UHFFFAOYSA-N 0 1 394.309 3.998 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000825391431 900142232 /nfs/dbraw/zinc/14/22/32/900142232.db2.gz VEBQXTKQKPVTIB-AWEZNQCLSA-N 0 1 390.199 3.997 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1Cl ZINC000825461214 900176972 /nfs/dbraw/zinc/17/69/72/900176972.db2.gz HHXAEKZSDAPFLV-KRWDZBQOSA-N 0 1 376.928 3.969 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000216482191 900374566 /nfs/dbraw/zinc/37/45/66/900374566.db2.gz LRJFHPKNGDOHQA-INIZCTEOSA-N 0 1 383.492 3.580 20 10 GHCDMN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000844207365 900602285 /nfs/dbraw/zinc/60/22/85/900602285.db2.gz BQDAAQDPGNHPOT-RDELFYGPSA-N 0 1 395.459 3.793 20 10 GHCDMN CCn1c(=O)[nH]nc1SCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C ZINC000844262797 900646090 /nfs/dbraw/zinc/64/60/90/900646090.db2.gz SKRGAHSZSDIXHR-UHFFFAOYSA-N 0 1 388.468 3.834 20 10 GHCDMN CCN(CC)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000778916326 901580321 /nfs/dbraw/zinc/58/03/21/901580321.db2.gz DQFJXTHAFWQQLY-SFHVURJKSA-N 0 1 396.409 3.816 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001144308829 901703101 /nfs/dbraw/zinc/70/31/01/901703101.db2.gz ZBDLJHVCHFWOIN-HNNXBMFYSA-N 0 1 393.247 3.599 20 10 GHCDMN CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846243851 902819429 /nfs/dbraw/zinc/81/94/29/902819429.db2.gz JCGAPDHQYKYLDR-GOSISDBHSA-N 0 1 396.491 3.757 20 10 GHCDMN Cc1cc(Br)cc(C)c1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000048466830 903631426 /nfs/dbraw/zinc/63/14/26/903631426.db2.gz REJPXJFFQFLGBC-HUUCEWRRSA-N 0 1 398.345 3.687 20 10 GHCDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000152154246 904240653 /nfs/dbraw/zinc/24/06/53/904240653.db2.gz ORJWWGQHERGURZ-GOSISDBHSA-N 0 1 395.551 3.515 20 10 GHCDMN CCCCN(Cc1ccccc1O)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000801596456 921173099 /nfs/dbraw/zinc/17/30/99/921173099.db2.gz ADMDFERXYZICFQ-SFHVURJKSA-N 0 1 391.309 3.983 20 10 GHCDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179939718 906639419 /nfs/dbraw/zinc/63/94/19/906639419.db2.gz ACNBIZFUEMTGQZ-LLVKDONJSA-N 0 1 398.868 3.550 20 10 GHCDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179939718 906639432 /nfs/dbraw/zinc/63/94/32/906639432.db2.gz ACNBIZFUEMTGQZ-LLVKDONJSA-N 0 1 398.868 3.550 20 10 GHCDMN COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC001173724046 906673344 /nfs/dbraw/zinc/67/33/44/906673344.db2.gz XVICPXPZUVRTGG-GFCCVEGCSA-N 0 1 378.266 3.662 20 10 GHCDMN CC(C)(C)C(=O)N1CCN(Cc2cccc(Br)c2O)C(C)(C)C1 ZINC000779432681 907031539 /nfs/dbraw/zinc/03/15/39/907031539.db2.gz ZOODXJNBLQQAKW-UHFFFAOYSA-N 0 1 383.330 3.624 20 10 GHCDMN CCOc1ccc(C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C(=O)OC)cc1 ZINC000779432309 907045133 /nfs/dbraw/zinc/04/51/33/907045133.db2.gz QZLVMLVCQLKOLD-MRXNPFEDSA-N 0 1 377.868 3.566 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000773413140 907267502 /nfs/dbraw/zinc/26/75/02/907267502.db2.gz GQANUWJIFSGOOK-HXUWFJFHSA-N 0 1 399.510 3.560 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Br)ccc1[O-] ZINC000185068564 907706458 /nfs/dbraw/zinc/70/64/58/907706458.db2.gz DBFRPUKZRWNYDQ-CQSZACIVSA-N 0 1 390.325 3.865 20 10 GHCDMN COc1ccc(CNCc2ccnc(OC3CCCC3)c2)cc1Cn1cccn1 ZINC001177250512 908490846 /nfs/dbraw/zinc/49/08/46/908490846.db2.gz MEHHMGZKHXXESW-UHFFFAOYSA-N 0 1 392.503 3.946 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CSc1n[nH]c(=S)s1 ZINC001177346915 908546458 /nfs/dbraw/zinc/54/64/58/908546458.db2.gz HDVMTXHFWLBZBC-CQSZACIVSA-N 0 1 395.575 3.681 20 10 GHCDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC001177482982 908594463 /nfs/dbraw/zinc/59/44/63/908594463.db2.gz AGRROTFPNLAQRL-UHFFFAOYSA-N 0 1 393.443 3.981 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)Cc2n[nH]c(Cc3ccccc3)n2)cc1 ZINC001178417491 909050752 /nfs/dbraw/zinc/05/07/52/909050752.db2.gz AJEDKKLPBYOXFC-UHFFFAOYSA-N 0 1 397.482 3.754 20 10 GHCDMN CCN(CC)c1ccc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1F ZINC001178615136 909147883 /nfs/dbraw/zinc/14/78/83/909147883.db2.gz RNCXWQSVALBTLX-NRFANRHFSA-N 0 1 383.511 3.871 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859977 909786075 /nfs/dbraw/zinc/78/60/75/909786075.db2.gz XGTJUBZDKADWMO-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859977 909786081 /nfs/dbraw/zinc/78/60/81/909786081.db2.gz XGTJUBZDKADWMO-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001180157552 909994796 /nfs/dbraw/zinc/99/47/96/909994796.db2.gz KOVPIPJNEMZIDX-JTQLQIEISA-N 0 1 386.677 3.879 20 10 GHCDMN NC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(Cl)c1 ZINC001180699091 910314575 /nfs/dbraw/zinc/31/45/75/910314575.db2.gz VCDUNPWZMXSXRM-CQSZACIVSA-N 0 1 383.673 3.514 20 10 GHCDMN COC(=O)c1c(CN(C)C[C@H]2OCCc3ccccc32)c2cc(F)ccc2n1C ZINC001181892309 911064518 /nfs/dbraw/zinc/06/45/18/911064518.db2.gz KNADAIISNUIYFW-OAQYLSRUSA-N 0 1 396.462 3.850 20 10 GHCDMN Oc1c(Br)cccc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247285581 911096626 /nfs/dbraw/zinc/09/66/26/911096626.db2.gz YUGAYDOHBMQBGS-DZGCQCFKSA-N 0 1 398.322 3.541 20 10 GHCDMN Cc1ccc(O)c(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000091889961 911316990 /nfs/dbraw/zinc/31/69/90/911316990.db2.gz WURACQXCYWRTLV-KRWDZBQOSA-N 0 1 378.476 3.629 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)CCn2cccn2)C1 ZINC000774180640 911500002 /nfs/dbraw/zinc/50/00/02/911500002.db2.gz OSQSKTJAKMUWDU-GOSISDBHSA-N 0 1 394.519 3.626 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCOC(C)(C)C2)C1 ZINC000774260494 911581022 /nfs/dbraw/zinc/58/10/22/911581022.db2.gz UMBDXIBADRGDCI-KRWDZBQOSA-N 0 1 384.520 3.909 20 10 GHCDMN COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCN2C2CC2)c1 ZINC000801957663 921683818 /nfs/dbraw/zinc/68/38/18/921683818.db2.gz NQYMBDZNKPIDJG-FCHUYYIVSA-N 0 1 398.478 3.810 20 10 GHCDMN CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092754518 911772871 /nfs/dbraw/zinc/77/28/71/911772871.db2.gz GWRGCVQJHGJZEC-ZDUSSCGKSA-N 0 1 383.330 3.527 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)c3ccoc3C)CC2)cc1F ZINC000093010112 912010811 /nfs/dbraw/zinc/01/08/11/912010811.db2.gz WNKUGQPPDMYGKH-UHFFFAOYSA-N 0 1 387.499 3.968 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000775143641 915504800 /nfs/dbraw/zinc/50/48/00/915504800.db2.gz AFKKUODHMSHRHZ-QMTHXVAHSA-N 0 1 382.220 3.598 20 10 GHCDMN COc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001189171032 916470137 /nfs/dbraw/zinc/47/01/37/916470137.db2.gz HRTRTAZZGVJXFS-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(Cl)c1 ZINC000775288660 916859256 /nfs/dbraw/zinc/85/92/56/916859256.db2.gz PGXHQFWRGCWJLB-UHFFFAOYSA-N 0 1 383.853 3.558 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001190974820 917677526 /nfs/dbraw/zinc/67/75/26/917677526.db2.gz BVTVQJRCYVTWTD-VXGBXAGGSA-N 0 1 393.336 3.546 20 10 GHCDMN Oc1ccccc1C[N@@H+](CCc1cccc2c1OC(F)(F)O2)C[C@@H]1CCCO1 ZINC001192014169 918358573 /nfs/dbraw/zinc/35/85/73/918358573.db2.gz QJQLWYLZASDRDL-KRWDZBQOSA-N 0 1 391.414 3.937 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275893432 919292379 /nfs/dbraw/zinc/29/23/79/919292379.db2.gz YKXUECDQPDYQRD-CQSZACIVSA-N 0 1 390.833 3.716 20 10 GHCDMN CO[C@H](C)c1nsc(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000800850259 920527682 /nfs/dbraw/zinc/52/76/82/920527682.db2.gz QNRAJLBFVDLVMM-RISCZKNCSA-N 0 1 382.917 3.681 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc2ccccc2c1[O-] ZINC000903434909 923025849 /nfs/dbraw/zinc/02/58/49/923025849.db2.gz ONAHOSHCEGHOAQ-GXTWGEPZSA-N 0 1 384.867 3.624 20 10 GHCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000826889903 924324983 /nfs/dbraw/zinc/32/49/83/924324983.db2.gz ZXHIBONTNNOGFB-ZJUUUORDSA-N 0 1 386.197 3.872 20 10 GHCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077593 925245049 /nfs/dbraw/zinc/24/50/49/925245049.db2.gz FKUNHUKJNNZOEB-LIRRHRJNSA-N 0 1 395.341 3.910 20 10 GHCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077593 925245054 /nfs/dbraw/zinc/24/50/54/925245054.db2.gz FKUNHUKJNNZOEB-LIRRHRJNSA-N 0 1 395.341 3.910 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276079183 925268256 /nfs/dbraw/zinc/26/82/56/925268256.db2.gz XUVOYPOWQDZEAP-FZKQIMNGSA-N 0 1 381.314 3.520 20 10 GHCDMN CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001276079250 925270200 /nfs/dbraw/zinc/27/02/00/925270200.db2.gz YMJZQIDPQMANAY-IBGZPJMESA-N 0 1 393.325 3.545 20 10 GHCDMN CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3c([O-])cccc3Br)C2)C1=O ZINC001276079250 925270206 /nfs/dbraw/zinc/27/02/06/925270206.db2.gz YMJZQIDPQMANAY-IBGZPJMESA-N 0 1 393.325 3.545 20 10 GHCDMN CCc1ccc(O)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC001137438265 925788539 /nfs/dbraw/zinc/78/85/39/925788539.db2.gz JTILQKGKJWIGGZ-QGZVFWFLSA-N 0 1 388.895 3.708 20 10 GHCDMN Nc1ccc(Cl)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440580 925796626 /nfs/dbraw/zinc/79/66/26/925796626.db2.gz YNGGWGPRKMNFBY-HNNXBMFYSA-N 0 1 394.302 3.676 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)s1 ZINC000827941461 926346592 /nfs/dbraw/zinc/34/65/92/926346592.db2.gz FBZJCFYGYOQMGC-JTQLQIEISA-N 0 1 384.860 3.807 20 10 GHCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000389801522 926388562 /nfs/dbraw/zinc/38/85/62/926388562.db2.gz CHFRBTNLJSEWGZ-IUODEOHRSA-N 0 1 399.329 3.890 20 10 GHCDMN Cc1cc(C(=O)COC(=O)[C@H]2CCCc3[nH]ncc32)c(C)n1-c1ccccc1 ZINC000758131520 929937487 /nfs/dbraw/zinc/93/74/87/929937487.db2.gz DMTFXIVSBUJQIJ-KRWDZBQOSA-N 0 1 377.444 3.663 20 10 GHCDMN Cc1noc(C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])c2ccccc2)n1 ZINC000758612121 930102976 /nfs/dbraw/zinc/10/29/76/930102976.db2.gz CLGDGFXUOHXSMG-INIZCTEOSA-N 0 1 388.265 3.920 20 10 GHCDMN OC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000758635026 930112292 /nfs/dbraw/zinc/11/22/92/930112292.db2.gz ZCWJZQWRAXBESS-SFHVURJKSA-N 0 1 398.400 3.504 20 10 GHCDMN C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000759693134 930454650 /nfs/dbraw/zinc/45/46/50/930454650.db2.gz SEUVFIUGSWJMJM-IBGZPJMESA-N 0 1 397.538 3.995 20 10 GHCDMN C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759693134 930454654 /nfs/dbraw/zinc/45/46/54/930454654.db2.gz SEUVFIUGSWJMJM-IBGZPJMESA-N 0 1 397.538 3.995 20 10 GHCDMN Cc1cc(O)c(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C(C)C ZINC000781568172 930890524 /nfs/dbraw/zinc/89/05/24/930890524.db2.gz HTTVPIDIPWYXPE-LJQANCHMSA-N 0 1 394.581 3.650 20 10 GHCDMN Cc1cc(O)c(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C(C)C ZINC000781568171 930890595 /nfs/dbraw/zinc/89/05/95/930890595.db2.gz HTTVPIDIPWYXPE-IBGZPJMESA-N 0 1 394.581 3.650 20 10 GHCDMN CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000781913342 931025035 /nfs/dbraw/zinc/02/50/35/931025035.db2.gz SJADREJMDFHSGK-HOTGVXAUSA-N 0 1 383.330 3.684 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000781913007 931026728 /nfs/dbraw/zinc/02/67/28/931026728.db2.gz YDVIZCLHROXAIU-CYBMUJFWSA-N 0 1 391.313 3.838 20 10 GHCDMN CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cc(Br)ccc1[O-] ZINC000797090869 932178446 /nfs/dbraw/zinc/17/84/46/932178446.db2.gz ROIIFNHXXCCBII-OAHLLOKOSA-N 0 1 385.302 3.674 20 10 GHCDMN COC(=O)c1cc(CN(C)Cc2c(O)c(C(=O)OC)cc3ccccc32)oc1C ZINC000798215755 932566475 /nfs/dbraw/zinc/56/64/75/932566475.db2.gz KUXWWZOOCKWADO-UHFFFAOYSA-N 0 1 397.427 3.652 20 10 GHCDMN CN(C)c1ccc(CN[C@]2(CO)CCOc3ccccc32)c(C(F)(F)F)c1 ZINC000799737027 933105160 /nfs/dbraw/zinc/10/51/60/933105160.db2.gz SBOOEYPUTOCKIR-IBGZPJMESA-N 0 1 380.410 3.531 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001117634040 933967333 /nfs/dbraw/zinc/96/73/33/933967333.db2.gz XMKPJTFUUXRIHS-WMLDXEAASA-N 0 1 375.431 3.877 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C3CC4(C3)CCCCC4)CC2)cc1 ZINC001124585164 935420133 /nfs/dbraw/zinc/42/01/33/935420133.db2.gz KNLKUFKFHZCCMM-UHFFFAOYSA-N 0 1 399.579 3.684 20 10 GHCDMN CCOc1cccc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1O ZINC000828052527 935570226 /nfs/dbraw/zinc/57/02/26/935570226.db2.gz KNJNAHBRMXAPTB-UHFFFAOYSA-N 0 1 383.423 3.754 20 10 GHCDMN Cn1cc(-c2ccnc(C3CC[NH+](Cc4c([O-])cccc4Cl)CC3)n2)cn1 ZINC000828073659 935573556 /nfs/dbraw/zinc/57/35/56/935573556.db2.gz PEVPOGLMSYGWNC-UHFFFAOYSA-N 0 1 383.883 3.616 20 10 GHCDMN COCCC[N@@H+](Cc1c([O-])cccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001137839056 935817527 /nfs/dbraw/zinc/81/75/27/935817527.db2.gz PSOSGZFVQDKPHQ-UHFFFAOYSA-N 0 1 396.503 3.769 20 10 GHCDMN CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598544219 992928668 /nfs/dbraw/zinc/92/86/68/992928668.db2.gz IWXKEGINUPJJKO-QGZVFWFLSA-N 0 1 381.451 3.726 20 10 GHCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001227354610 1032385996 /nfs/dbraw/zinc/38/59/96/1032385996.db2.gz DSJXXSVHDMRBEJ-GOSISDBHSA-N 0 1 383.540 3.997 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)c2cc(C)cnc2F)c1O ZINC001227494868 1032440818 /nfs/dbraw/zinc/44/08/18/1032440818.db2.gz JIZMXDGJDKDVDY-SNVBAGLBSA-N 0 1 397.424 3.790 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)cc1Cl ZINC001277215745 1032447201 /nfs/dbraw/zinc/44/72/01/1032447201.db2.gz UDKAUQLNTMLODR-ZDUSSCGKSA-N 0 1 390.833 3.635 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2c1cnn2C ZINC001204235074 1032679728 /nfs/dbraw/zinc/67/97/28/1032679728.db2.gz FRWANKPXOZYYOT-GOSISDBHSA-N 0 1 378.520 3.775 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H]3CCc4cccnc43)c1C2=O ZINC001227993320 1032728562 /nfs/dbraw/zinc/72/85/62/1032728562.db2.gz ALZRIKAQKJPNHE-KRWDZBQOSA-N 0 1 387.391 3.643 20 10 GHCDMN COc1cc(CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc(O)c1O ZINC001204345940 1032785605 /nfs/dbraw/zinc/78/56/05/1032785605.db2.gz ZANUUTUAXKAYCB-UHFFFAOYSA-N 0 1 384.520 3.722 20 10 GHCDMN COc1cc(CN2CCC[C@@H](OCc3ccc(Cl)cc3)C2)cc(O)c1O ZINC001204345436 1032785736 /nfs/dbraw/zinc/78/57/36/1032785736.db2.gz SGMYUDNCMLQKIE-QGZVFWFLSA-N 0 1 377.868 3.941 20 10 GHCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000159897844 1020380518 /nfs/dbraw/zinc/38/05/18/1020380518.db2.gz HASDADMPSUDSNJ-UHFFFAOYSA-N 0 1 378.259 3.958 20 10 GHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000159897844 1020380529 /nfs/dbraw/zinc/38/05/29/1020380529.db2.gz HASDADMPSUDSNJ-UHFFFAOYSA-N 0 1 378.259 3.958 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cnc4cccc(C)c4n3)CC2)cc1 ZINC001156261043 1032947592 /nfs/dbraw/zinc/94/75/92/1032947592.db2.gz QRNXIBXYOKXWDK-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1O ZINC000802659618 1021515646 /nfs/dbraw/zinc/51/56/46/1021515646.db2.gz QKXQPRXUZGQLTA-UHFFFAOYSA-N 0 1 384.867 3.800 20 10 GHCDMN C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140475285 1021769661 /nfs/dbraw/zinc/76/96/61/1021769661.db2.gz ZCPOOYHZYPZXSV-AEFFLSMTSA-N 0 1 377.504 3.676 20 10 GHCDMN CSCC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835037344 1021794483 /nfs/dbraw/zinc/79/44/83/1021794483.db2.gz VDDCNEDVFQVHKT-LIXSYLKWSA-N 0 1 381.549 3.893 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1ccc(O)c(C)c1O)C2 ZINC001140748273 1022421720 /nfs/dbraw/zinc/42/17/20/1022421720.db2.gz IXORFNYDPQFZQG-UHFFFAOYSA-N 0 1 390.487 3.527 20 10 GHCDMN Cc1c(O)ccc(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1O ZINC001140747690 1022421752 /nfs/dbraw/zinc/42/17/52/1022421752.db2.gz IYBBBWLZUGOJCI-UHFFFAOYSA-N 0 1 384.373 3.886 20 10 GHCDMN COc1cc(C)cc(CN2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1O ZINC000754726127 1022859954 /nfs/dbraw/zinc/85/99/54/1022859954.db2.gz BCMGNUVVKWPHHW-HNNXBMFYSA-N 0 1 376.447 3.866 20 10 GHCDMN COc1cc(C)cc(CN2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1O ZINC000754726128 1022860979 /nfs/dbraw/zinc/86/09/79/1022860979.db2.gz BCMGNUVVKWPHHW-OAHLLOKOSA-N 0 1 376.447 3.866 20 10 GHCDMN CCOC(=O)c1nc2c(s1)CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001140922503 1022890885 /nfs/dbraw/zinc/89/08/85/1022890885.db2.gz RUMXKNYCQBHNGW-UHFFFAOYSA-N 0 1 393.940 3.640 20 10 GHCDMN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(N(C)C)cc3Cl)O2)n1 ZINC001140923822 1022900050 /nfs/dbraw/zinc/90/00/50/1022900050.db2.gz HBJRLHNRBWDNSR-KURKYZTESA-N 0 1 376.888 3.592 20 10 GHCDMN CN(C)c1ccc(CN2CCC(NC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC001140925912 1022903086 /nfs/dbraw/zinc/90/30/86/1022903086.db2.gz HJUOXPWOGQHGSD-UHFFFAOYSA-N 0 1 378.948 3.566 20 10 GHCDMN CCOc1ccc(C(=O)C2CCN(Cc3c(O)cc(OC)cc3OC)CC2)cc1 ZINC001141028513 1023276521 /nfs/dbraw/zinc/27/65/21/1023276521.db2.gz RTRQJRBDAIGTHP-UHFFFAOYSA-N 0 1 399.487 3.903 20 10 GHCDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756336661 1023595237 /nfs/dbraw/zinc/59/52/37/1023595237.db2.gz OYPSBARJRJIUON-GHTZIAJQSA-N 0 1 382.504 3.593 20 10 GHCDMN C[C@H]1C[C@H](NCc2nnc3ccc(C(F)(F)F)cn32)c2c1c(F)ccc2O ZINC000756362613 1023607833 /nfs/dbraw/zinc/60/78/33/1023607833.db2.gz AWUGNSXXQWLYEC-CABZTGNLSA-N 0 1 380.345 3.931 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc4cccc([N+](=O)[O-])c4n3)cc2)CC1 ZINC001156656491 1033159262 /nfs/dbraw/zinc/15/92/62/1033159262.db2.gz WKDBGBYQURYQSR-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN Cc1sc2nc(C)nc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1C ZINC001156655479 1033159742 /nfs/dbraw/zinc/15/97/42/1033159742.db2.gz DLXZONGOPSMOCZ-UHFFFAOYSA-N 0 1 381.549 3.980 20 10 GHCDMN CC[C@@H](C)c1nc2[nH]ccc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156658754 1033160537 /nfs/dbraw/zinc/16/05/37/1033160537.db2.gz GEFAFHJLFARENF-MRXNPFEDSA-N 0 1 378.524 3.835 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(Br)ccc1[O-] ZINC000756710318 1023784252 /nfs/dbraw/zinc/78/42/52/1023784252.db2.gz BCERBKQVUDDZNE-IAQYHMDHSA-N 0 1 393.256 3.750 20 10 GHCDMN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756775786 1023811345 /nfs/dbraw/zinc/81/13/45/1023811345.db2.gz SYAZHENFVBOSNA-RISCZKNCSA-N 0 1 378.266 3.818 20 10 GHCDMN COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138127786 1024175880 /nfs/dbraw/zinc/17/58/80/1024175880.db2.gz QHSZOUISGHBMCN-UHFFFAOYSA-N 0 1 388.483 3.645 20 10 GHCDMN CO[C@H](CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000831544046 1024630378 /nfs/dbraw/zinc/63/03/78/1024630378.db2.gz SFMQKGQVRGRMFG-OAHLLOKOSA-N 0 1 390.288 3.506 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+](CCO)Cc1cccs1 ZINC001141371495 1024750991 /nfs/dbraw/zinc/75/09/91/1024750991.db2.gz ZCIJNGONDLSWQB-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)C3CCCC3)CC2)c(OC)c1 ZINC001138389058 1024764511 /nfs/dbraw/zinc/76/45/11/1024764511.db2.gz JFVYIEIYJDKOAT-UHFFFAOYSA-N 0 1 387.568 3.812 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](Oc3ncccc3OC)C2)c(OC)c1 ZINC001138391965 1024769375 /nfs/dbraw/zinc/76/93/75/1024769375.db2.gz LBBYXALCOXBIRK-LJQANCHMSA-N 0 1 385.508 3.598 20 10 GHCDMN CN(Cc1ccsc1)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678367 1025203431 /nfs/dbraw/zinc/20/34/31/1025203431.db2.gz BDRHQSVXMYHVBE-UHFFFAOYSA-N 0 1 381.339 3.979 20 10 GHCDMN COc1ccc(N2CCC([NH2+]Cc3cccc([O-])c3Br)CC2)cc1 ZINC000838927974 1025451649 /nfs/dbraw/zinc/45/16/49/1025451649.db2.gz WRGLDNHQEPRWNM-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001139131456 1025943241 /nfs/dbraw/zinc/94/32/41/1025943241.db2.gz OKZZEDIHJRIYMV-AWEZNQCLSA-N 0 1 383.448 3.693 20 10 GHCDMN CCOc1c(F)cccc1NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001164335758 1026488875 /nfs/dbraw/zinc/48/88/75/1026488875.db2.gz JKMPWBBWHWWQJL-UHFFFAOYSA-N 0 1 387.499 3.857 20 10 GHCDMN Cc1cc(CN2CCCn3cnc(COc4cccnc4)c3C2)ccc1N(C)C ZINC001139672050 1026527655 /nfs/dbraw/zinc/52/76/55/1026527655.db2.gz RXMHAMFRTUAPBZ-UHFFFAOYSA-N 0 1 391.519 3.637 20 10 GHCDMN Cc1cc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)ccc1N(C)C ZINC001139672621 1026529245 /nfs/dbraw/zinc/52/92/45/1026529245.db2.gz ZYZUXLXXDBKLLO-BAGYTPMASA-N 0 1 381.520 3.514 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140100539 1026879903 /nfs/dbraw/zinc/87/99/03/1026879903.db2.gz STZYPJQARJKAGN-HNAYVOBHSA-N 0 1 396.325 3.705 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140100539 1026879910 /nfs/dbraw/zinc/87/99/10/1026879910.db2.gz STZYPJQARJKAGN-HNAYVOBHSA-N 0 1 396.325 3.705 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001140103309 1026883629 /nfs/dbraw/zinc/88/36/29/1026883629.db2.gz JAOZMMKAEVLSEH-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001140103309 1026883639 /nfs/dbraw/zinc/88/36/39/1026883639.db2.gz JAOZMMKAEVLSEH-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C1CCOCC1 ZINC001203562028 1027433988 /nfs/dbraw/zinc/43/39/88/1027433988.db2.gz BOCYVLQAZBVQMU-UHFFFAOYSA-N 0 1 379.092 3.528 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1CC2(C1)CCCCO2 ZINC001203565196 1027435861 /nfs/dbraw/zinc/43/58/61/1027435861.db2.gz VYNVQMTZBAQOEF-UHFFFAOYSA-N 0 1 391.103 3.672 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203574245 1027443779 /nfs/dbraw/zinc/44/37/79/1027443779.db2.gz RAGYSNYYZXVXLI-BETUJISGSA-N 0 1 387.307 3.998 20 10 GHCDMN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575415 1027445431 /nfs/dbraw/zinc/44/54/31/1027445431.db2.gz NLDWXVIFKOBQQL-JXFKEZNVSA-N 0 1 399.362 3.879 20 10 GHCDMN CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001203577253 1027445589 /nfs/dbraw/zinc/44/55/89/1027445589.db2.gz AVIJDPOOTIZOBS-IBGZPJMESA-N 0 1 377.271 3.819 20 10 GHCDMN COc1cccc(CN2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)c1O ZINC001203593017 1027458047 /nfs/dbraw/zinc/45/80/47/1027458047.db2.gz XYVDBHPTNAQISN-QHCPKHFHSA-N 0 1 382.504 3.581 20 10 GHCDMN CCOc1cccc(C[N@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203603042 1027466834 /nfs/dbraw/zinc/46/68/34/1027466834.db2.gz HFOZYXJVOKGXAE-NRFANRHFSA-N 0 1 376.497 3.766 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001203659022 1027513988 /nfs/dbraw/zinc/51/39/88/1027513988.db2.gz PTTCTHYEAYHGPD-PZJWPPBQSA-N 0 1 395.927 3.612 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001203659022 1027513996 /nfs/dbraw/zinc/51/39/96/1027513996.db2.gz PTTCTHYEAYHGPD-PZJWPPBQSA-N 0 1 395.927 3.612 20 10 GHCDMN COCCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203665288 1027518278 /nfs/dbraw/zinc/51/82/78/1027518278.db2.gz GDCBMRKEJGNOHH-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203665288 1027518283 /nfs/dbraw/zinc/51/82/83/1027518283.db2.gz GDCBMRKEJGNOHH-KRWDZBQOSA-N 0 1 398.931 3.894 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000840757698 1027793659 /nfs/dbraw/zinc/79/36/59/1027793659.db2.gz CCFSLEIJZRCNDI-MRXNPFEDSA-N 0 1 398.457 3.838 20 10 GHCDMN C[C@@H](NCc1cccc2c1OC(F)(F)O2)c1ccc(N2CCOCC2)cc1 ZINC000840886485 1027923668 /nfs/dbraw/zinc/92/36/68/1027923668.db2.gz 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3.540 20 10 GHCDMN Cc1sc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)nc1C(C)C ZINC001467031173 1067023590 /nfs/dbraw/zinc/02/35/90/1067023590.db2.gz RAWYVAZTTQNLCX-UHFFFAOYSA-N 0 1 387.553 3.648 20 10 GHCDMN C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2N1 ZINC001468666916 1067814535 /nfs/dbraw/zinc/81/45/35/1067814535.db2.gz OHOUJUTUPDDWMU-VIFPVBQESA-N 0 1 394.258 3.772 20 10 GHCDMN CC(C)Cn1cc([C@@H]2N(Cc3ccc(N(C)C)cc3)CC23CCOCC3)cn1 ZINC000849478587 1067859007 /nfs/dbraw/zinc/85/90/07/1067859007.db2.gz KAERHQRSTLVBSO-QFIPXVFZSA-N 0 1 382.552 3.959 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765109799 1068110072 /nfs/dbraw/zinc/11/00/72/1068110072.db2.gz PYOKRQMMHVDHIR-GOSISDBHSA-N 0 1 392.507 3.750 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)c(F)c(C)c3)cc2F)CC1 ZINC001360091598 1068353483 /nfs/dbraw/zinc/35/34/83/1068353483.db2.gz YEURJXLFAJSQML-UHFFFAOYSA-N 0 1 387.474 3.654 20 10 GHCDMN COc1ccc(N(C)CCN(C)[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC001460332702 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20 10 GHCDMN CCc1cnccc1CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000683490888 837406389 /nfs/dbraw/zinc/40/63/89/837406389.db2.gz WJWJHAMLNZUPMQ-UHFFFAOYSA-N 0 1 390.531 3.682 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000728194633 835092580 /nfs/dbraw/zinc/09/25/80/835092580.db2.gz CXGMHBBXRFYSOE-QFIPXVFZSA-N 0 1 389.451 3.902 20 10 GHCDMN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1(CO)CCOCC1 ZINC000588588109 835680687 /nfs/dbraw/zinc/68/06/87/835680687.db2.gz PCGWLIQYTFGAAA-UHFFFAOYSA-N 0 1 382.464 3.514 20 10 GHCDMN COC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000180234365 836804197 /nfs/dbraw/zinc/80/41/97/836804197.db2.gz CUYMGNUJKLJENW-VBKZILBWSA-N 0 1 394.437 3.979 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000706841911 840952912 /nfs/dbraw/zinc/95/29/12/840952912.db2.gz DTJUXHYMOLWAFY-CABCVRRESA-N 0 1 399.329 3.936 20 10 GHCDMN COCCCOc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000125811514 843320201 /nfs/dbraw/zinc/32/02/01/843320201.db2.gz FGCZMYAUCSVIFI-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C ZINC000125828441 843475054 /nfs/dbraw/zinc/47/50/54/843475054.db2.gz JKDNJPZKSHNNLQ-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000731281196 861540015 /nfs/dbraw/zinc/54/00/15/861540015.db2.gz ZAGSUBFUGSOBTJ-SFHVURJKSA-N 0 1 381.520 3.761 20 10 GHCDMN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)ccc1S(=O)(=O)C(F)F ZINC000160547114 848312293 /nfs/dbraw/zinc/31/22/93/848312293.db2.gz FZQQJYKZAVKTFF-ZDUSSCGKSA-N 0 1 398.475 3.608 20 10 GHCDMN Cc1cccc(N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000435879474 850933766 /nfs/dbraw/zinc/93/37/66/850933766.db2.gz CRWGJEGLDGFZJU-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000437026764 852643908 /nfs/dbraw/zinc/64/39/08/852643908.db2.gz PYSYHOMVLZPYMM-UHFFFAOYSA-N 0 1 382.851 3.835 20 10 GHCDMN CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182334 854335004 /nfs/dbraw/zinc/33/50/04/854335004.db2.gz JNQCFGJAIRAXCU-UHFFFAOYSA-N 0 1 387.911 3.852 20 10 GHCDMN C[C@@H](NCc1cn(C)nc1Br)c1ccc(Br)cc1O ZINC000903188671 855105055 /nfs/dbraw/zinc/10/50/55/855105055.db2.gz VQQNCHQXSOPSCK-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(Br)cc1[O-] ZINC000903188671 855105058 /nfs/dbraw/zinc/10/50/58/855105058.db2.gz VQQNCHQXSOPSCK-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3nc4ccc(F)cc4s3)SC2=S)CC1 ZINC000760990189 856991431 /nfs/dbraw/zinc/99/14/31/856991431.db2.gz YULQUDSSJHSRFP-ZROIWOOFSA-N 0 1 393.534 3.731 20 10 GHCDMN C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766134738 857381689 /nfs/dbraw/zinc/38/16/89/857381689.db2.gz BEUAANLPGLHJTI-GCJKJVERSA-N 0 1 394.494 3.951 20 10 GHCDMN COc1cc(C#N)ccc1OCCN(Cc1ccco1)Cc1ccccc1O ZINC000158051154 858153270 /nfs/dbraw/zinc/15/32/70/858153270.db2.gz KYZNRRIUZVIEMU-UHFFFAOYSA-N 0 1 378.428 3.947 20 10 GHCDMN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000160581461 859034739 /nfs/dbraw/zinc/03/47/39/859034739.db2.gz QVUMVZVHVXKDRK-QGZVFWFLSA-N 0 1 399.510 3.653 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)c1O ZINC000761196055 859084718 /nfs/dbraw/zinc/08/47/18/859084718.db2.gz UQHGJXNECHXVQQ-SFHVURJKSA-N 0 1 388.895 3.839 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(F)ccc1F ZINC000765245988 859863655 /nfs/dbraw/zinc/86/36/55/859863655.db2.gz QLLLBOVOTIQEPH-IERDGZPVSA-N 0 1 387.474 3.907 20 10 GHCDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1 ZINC000765278424 859881664 /nfs/dbraw/zinc/88/16/64/859881664.db2.gz ZLOXBYBBCGNSGV-QGZVFWFLSA-N 0 1 395.482 3.695 20 10 GHCDMN C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765357617 859926051 /nfs/dbraw/zinc/92/60/51/859926051.db2.gz HKXMGIHHHOIHBO-IRXDYDNUSA-N 0 1 399.922 3.633 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NCc2nc3cccc(C)c3[nH]2)cc1F ZINC000765695251 860410594 /nfs/dbraw/zinc/41/05/94/860410594.db2.gz ZFRPVVGXBCKFPL-UHFFFAOYSA-N 0 1 383.471 3.856 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)cc2F)CC1 ZINC000730235850 860960061 /nfs/dbraw/zinc/96/00/61/860960061.db2.gz PLUIGXDQWSOMPH-UHFFFAOYSA-N 0 1 399.297 3.533 20 10 GHCDMN CCN(CC)c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1F ZINC000740008093 865827648 /nfs/dbraw/zinc/82/76/48/865827648.db2.gz WRKBJEGSVZFLBB-UHFFFAOYSA-N 0 1 387.499 3.915 20 10 GHCDMN CCN(CC(=O)N(C)Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000743871143 868468541 /nfs/dbraw/zinc/46/85/41/868468541.db2.gz SCFPTEUCKSUKRJ-UHFFFAOYSA-N 0 1 391.309 3.635 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccc(C)cc1 ZINC000743870851 868470142 /nfs/dbraw/zinc/47/01/42/868470142.db2.gz DQGDJPXHPFLSGH-KRWDZBQOSA-N 0 1 394.309 3.725 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccc(C)cc1 ZINC000743870851 868470148 /nfs/dbraw/zinc/47/01/48/868470148.db2.gz DQGDJPXHPFLSGH-KRWDZBQOSA-N 0 1 394.309 3.725 20 10 GHCDMN Cc1ccc([C@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634928 868768045 /nfs/dbraw/zinc/76/80/45/868768045.db2.gz NSKWHDGNZWMXJA-QFIPXVFZSA-N 0 1 381.497 3.983 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1[O-] ZINC000775525821 870343833 /nfs/dbraw/zinc/34/38/33/870343833.db2.gz FUJWUOSWYNZRDH-YDHLFZDLSA-N 0 1 390.343 3.551 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCSC(F)(F)F)C1 ZINC000766416264 870713792 /nfs/dbraw/zinc/71/37/92/870713792.db2.gz OKMLFTGZRAEKPS-UHFFFAOYSA-N 0 1 399.482 3.777 20 10 GHCDMN Cc1cc(C(=O)CN(CC(C)(C)O)C2CCOCC2)c(C)n1-c1ccc(C)cc1 ZINC000746463375 870777760 /nfs/dbraw/zinc/77/77/60/870777760.db2.gz SOSNXWMFMVQBLL-UHFFFAOYSA-N 0 1 398.547 3.837 20 10 GHCDMN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(O)c(O)c(Cl)c2)cn1 ZINC001193605336 871211720 /nfs/dbraw/zinc/21/17/20/871211720.db2.gz DXADOXLLPIYWEI-UHFFFAOYSA-N 0 1 393.827 3.770 20 10 GHCDMN COc1cccc(CNC(=O)[C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000857758744 882520141 /nfs/dbraw/zinc/52/01/41/882520141.db2.gz PUCIGOBFEHNLBR-IBGZPJMESA-N 0 1 395.547 3.822 20 10 GHCDMN Cc1cccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000766822209 871846969 /nfs/dbraw/zinc/84/69/69/871846969.db2.gz WHAQAODQVGAXMD-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN CCOc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC001169786921 871881493 /nfs/dbraw/zinc/88/14/93/871881493.db2.gz CHHAVRFIGRNOKH-QFIPXVFZSA-N 0 1 393.531 3.512 20 10 GHCDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000182539211 872524892 /nfs/dbraw/zinc/52/48/92/872524892.db2.gz FTAVIQTUIPDKNB-UHFFFAOYSA-N 0 1 376.456 3.660 20 10 GHCDMN CCCN(CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1ccccc1O ZINC000767894716 872922296 /nfs/dbraw/zinc/92/22/96/872922296.db2.gz XZCKHCMUTJISLS-UHFFFAOYSA-N 0 1 393.491 3.645 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000767926461 872942190 /nfs/dbraw/zinc/94/21/90/872942190.db2.gz JOODYVIVJIUXSX-ZDUSSCGKSA-N 0 1 389.801 3.885 20 10 GHCDMN C[N@H+](Cc1ccc(Br)o1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768262104 873195894 /nfs/dbraw/zinc/19/58/94/873195894.db2.gz GNHDEGQRFAZFJA-UHFFFAOYSA-N 0 1 375.606 3.941 20 10 GHCDMN C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768262104 873195902 /nfs/dbraw/zinc/19/59/02/873195902.db2.gz GNHDEGQRFAZFJA-UHFFFAOYSA-N 0 1 375.606 3.941 20 10 GHCDMN CCCN(Cc1ccccc1Br)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441116 873305393 /nfs/dbraw/zinc/30/53/93/873305393.db2.gz VOVWLGZETLQLRG-SFHVURJKSA-N 0 1 392.293 3.993 20 10 GHCDMN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cc(C)ccc4O)CC3)n2)cc1 ZINC000768532061 873363699 /nfs/dbraw/zinc/36/36/99/873363699.db2.gz HRBOASLIEJRARV-GOSISDBHSA-N 0 1 392.503 3.938 20 10 GHCDMN CC(C)c1nc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n[nH]1 ZINC000794365625 882726967 /nfs/dbraw/zinc/72/69/67/882726967.db2.gz KFDZXHJPJIYHLM-UHFFFAOYSA-N 0 1 385.512 3.906 20 10 GHCDMN Cc1cc(O)c(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1C ZINC000768815889 873600701 /nfs/dbraw/zinc/60/07/01/873600701.db2.gz MGVZXVHCAQTQAD-GOSISDBHSA-N 0 1 392.503 3.938 20 10 GHCDMN O=C(Cc1ccccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915590 873683262 /nfs/dbraw/zinc/68/32/62/873683262.db2.gz LVZDAJTVONCJGU-KRWDZBQOSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917341 873685874 /nfs/dbraw/zinc/68/58/74/873685874.db2.gz XIRQLTSKOGPCLZ-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768917341 873685886 /nfs/dbraw/zinc/68/58/86/873685886.db2.gz XIRQLTSKOGPCLZ-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768917341 873685899 /nfs/dbraw/zinc/68/58/99/873685899.db2.gz XIRQLTSKOGPCLZ-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000769024172 873748109 /nfs/dbraw/zinc/74/81/09/873748109.db2.gz UOCOWDKVASCJHE-YADHBBJMSA-N 0 1 387.955 3.876 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209453 873892589 /nfs/dbraw/zinc/89/25/89/873892589.db2.gz MBHLECNHHUJMKZ-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000769209453 873892599 /nfs/dbraw/zinc/89/25/99/873892599.db2.gz MBHLECNHHUJMKZ-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN O=C(CC1CCCCC1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000769232768 873907498 /nfs/dbraw/zinc/90/74/98/873907498.db2.gz LAZOAMZHHVRCNR-UHFFFAOYSA-N 0 1 395.341 3.769 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769502868 874110107 /nfs/dbraw/zinc/11/01/07/874110107.db2.gz CMNGKDHLABQROI-KRWDZBQOSA-N 0 1 389.496 3.749 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@H]2CCCC2=O)C1 ZINC000769662400 874219443 /nfs/dbraw/zinc/21/94/43/874219443.db2.gz BPIJNDIVAZMKFC-QGZVFWFLSA-N 0 1 382.504 3.710 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1 ZINC000770311454 874591073 /nfs/dbraw/zinc/59/10/73/874591073.db2.gz DYKCYURKBRIEPQ-LJQANCHMSA-N 0 1 377.488 3.893 20 10 GHCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ncc1Br ZINC000858109659 882854212 /nfs/dbraw/zinc/85/42/12/882854212.db2.gz ZFKRCIKOGZZIGS-HNNXBMFYSA-N 0 1 390.325 3.840 20 10 GHCDMN COc1ccc(N2CCC([NH2+]Cc3c([O-])cccc3Br)CC2)cc1 ZINC000858121813 882860715 /nfs/dbraw/zinc/86/07/15/882860715.db2.gz AJYSHQJPYFDMPU-UHFFFAOYSA-N 0 1 391.309 3.922 20 10 GHCDMN COc1cccc(N2CC[C@@H]([NH2+]Cc3c([O-])cccc3Br)C2)c1 ZINC000858122411 882862511 /nfs/dbraw/zinc/86/25/11/882862511.db2.gz MQWSQVQHDHFFHH-CYBMUJFWSA-N 0 1 377.282 3.532 20 10 GHCDMN O=C(Cc1c(F)cccc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771054647 875012467 /nfs/dbraw/zinc/01/24/67/875012467.db2.gz UZWAPNGRIFZXDF-OAHLLOKOSA-N 0 1 394.849 3.647 20 10 GHCDMN COCCC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000771057522 875014885 /nfs/dbraw/zinc/01/48/85/875014885.db2.gz KBAXMXZJENJZBZ-GOSISDBHSA-N 0 1 394.943 3.723 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3csc(Cl)c3)cc2F)CC1 ZINC000786185391 876506402 /nfs/dbraw/zinc/50/64/02/876506402.db2.gz ZHWBGIXGEPPAHH-UHFFFAOYSA-N 0 1 381.904 3.613 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=S)Nc3ccccc3C)CC2)cc1 ZINC000007027505 876512856 /nfs/dbraw/zinc/51/28/56/876512856.db2.gz HTECLALUHMFZGG-UHFFFAOYSA-N 0 1 398.576 3.502 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3cccc(OC4CC4)c3F)cc2)CC1 ZINC000850072532 876638112 /nfs/dbraw/zinc/63/81/12/876638112.db2.gz ASDBMHXECSBYQS-UHFFFAOYSA-N 0 1 384.495 3.865 20 10 GHCDMN CCOc1cc2c(cc1CNCc1ccc(N3CCC(O)CC3)cc1)O[C@H](C)C2 ZINC000850405544 876886695 /nfs/dbraw/zinc/88/66/95/876886695.db2.gz SPLBRSUSLCMMGZ-QGZVFWFLSA-N 0 1 396.531 3.660 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccc(F)c3OC(F)F)cc2)CC1 ZINC000850406650 876888650 /nfs/dbraw/zinc/88/86/50/876888650.db2.gz OTGVLKKMPPELDW-UHFFFAOYSA-N 0 1 380.410 3.678 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850428373 876911664 /nfs/dbraw/zinc/91/16/64/876911664.db2.gz OAAPNIGPOFMPIJ-HZPDHXFCSA-N 0 1 385.464 3.852 20 10 GHCDMN CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850486041 876959428 /nfs/dbraw/zinc/95/94/28/876959428.db2.gz QWKLHIMPVBTOKG-CQSZACIVSA-N 0 1 379.444 3.667 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000850500771 876975210 /nfs/dbraw/zinc/97/52/10/876975210.db2.gz JNFPVXQQGIQRTC-HZPDHXFCSA-N 0 1 389.293 3.783 20 10 GHCDMN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850534739 877006125 /nfs/dbraw/zinc/00/61/25/877006125.db2.gz PVMCUTAESFZICY-XWIAVFTESA-N 0 1 386.870 3.642 20 10 GHCDMN CCn1nc(C)cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000530128956 877150724 /nfs/dbraw/zinc/15/07/24/877150724.db2.gz HHFLTLJJNSLXPT-UHFFFAOYSA-N 0 1 379.508 3.571 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ncccc2F)C1 ZINC000530234159 877336927 /nfs/dbraw/zinc/33/69/27/877336927.db2.gz PBBYDDBNMNRROW-INIZCTEOSA-N 0 1 394.494 3.819 20 10 GHCDMN COc1ccc(CN(C)Cc2cc(Br)cc(OC)c2O)c(OC)c1 ZINC000179617019 877781062 /nfs/dbraw/zinc/78/10/62/877781062.db2.gz YMJCIQHMCZMLMY-UHFFFAOYSA-N 0 1 396.281 3.813 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1OC(F)F ZINC000851717286 877877070 /nfs/dbraw/zinc/87/70/70/877877070.db2.gz VUYLFZRBRWVRHV-UHFFFAOYSA-N 0 1 380.410 3.896 20 10 GHCDMN O=[N+]([O-])c1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237829342 878086522 /nfs/dbraw/zinc/08/65/22/878086522.db2.gz XMXPAECRIVIFOO-UHFFFAOYSA-N 0 1 395.381 3.740 20 10 GHCDMN Cc1cccc(CN2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)c1O ZINC000179891922 878142098 /nfs/dbraw/zinc/14/20/98/878142098.db2.gz RNDHNWGRZVDICC-OAHLLOKOSA-N 0 1 384.505 3.691 20 10 GHCDMN COC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000180234347 878685642 /nfs/dbraw/zinc/68/56/42/878685642.db2.gz CUYMGNUJKLJENW-VLIAUNLRSA-N 0 1 394.437 3.979 20 10 GHCDMN CCN(CC)[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000111101557 878823842 /nfs/dbraw/zinc/82/38/42/878823842.db2.gz SQSOCYYZIJCHBV-HSZRJFAPSA-N 0 1 395.547 3.817 20 10 GHCDMN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1c(F)ccc(O)c1O ZINC000789976950 879373288 /nfs/dbraw/zinc/37/32/88/879373288.db2.gz URQFKOLSNGFNKH-UHFFFAOYSA-N 0 1 393.374 3.716 20 10 GHCDMN C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3c([O-])cccc3Cl)c2)C1=O ZINC000790607434 879880872 /nfs/dbraw/zinc/88/08/72/879880872.db2.gz CIJFSTCUGBDVCG-OAQYLSRUSA-N 0 1 399.878 3.560 20 10 GHCDMN COCCOc1ccccc1N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792170666 880960762 /nfs/dbraw/zinc/96/07/62/880960762.db2.gz UVMPSJAOHFHDHZ-UHFFFAOYSA-N 0 1 394.874 3.532 20 10 GHCDMN COc1cccc([C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)OC)c1 ZINC000858654424 883259233 /nfs/dbraw/zinc/25/92/33/883259233.db2.gz OACNKKBGOWZYJR-MRXNPFEDSA-N 0 1 399.274 3.895 20 10 GHCDMN O=C(NCCOc1ccc(F)cc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805080936 883598750 /nfs/dbraw/zinc/59/87/50/883598750.db2.gz OYSWHUQQPQDTCT-UHFFFAOYSA-N 0 1 391.201 3.855 20 10 GHCDMN O=S(=O)(/C=C/c1ccc(F)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000805135875 883615205 /nfs/dbraw/zinc/61/52/05/883615205.db2.gz VLKJGAIANRGGNA-AATRIKPKSA-N 0 1 376.236 3.928 20 10 GHCDMN COc1c(C)cc(C)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134774 883615509 /nfs/dbraw/zinc/61/55/09/883615509.db2.gz IVXDRVDCSWAAPJ-UHFFFAOYSA-N 0 1 390.288 3.803 20 10 GHCDMN CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241629 912795786 /nfs/dbraw/zinc/79/57/86/912795786.db2.gz GXKAYBFBJFNDTH-LJQANCHMSA-N 0 1 395.341 3.912 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)ccc2O)C1=O ZINC001275242526 912805616 /nfs/dbraw/zinc/80/56/16/912805616.db2.gz VXNIIGHVDDNBKO-ACJLOTCBSA-N 0 1 381.314 3.520 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ncn(Cc2ccccc2)n1 ZINC000806232454 884498409 /nfs/dbraw/zinc/49/84/09/884498409.db2.gz CYWNHFDREQBRQX-UHFFFAOYSA-N 0 1 392.246 3.661 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000806362322 884638959 /nfs/dbraw/zinc/63/89/59/884638959.db2.gz NDLXMJSQLQZZQQ-NSHDSACASA-N 0 1 394.258 3.624 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000761995340 885129403 /nfs/dbraw/zinc/12/94/03/885129403.db2.gz LXSKFVZRGQLQFS-UHFFFAOYSA-N 0 1 391.367 3.879 20 10 GHCDMN Cc1ccc2c(c1)nc(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)n2C ZINC000807211687 885300555 /nfs/dbraw/zinc/30/05/55/885300555.db2.gz GSJLJDASNFKBIN-UHFFFAOYSA-N 0 1 393.274 3.894 20 10 GHCDMN O=C(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)OC1CCCCC1 ZINC000807218559 885310349 /nfs/dbraw/zinc/31/03/49/885310349.db2.gz SNSLJODFQJMTDK-UHFFFAOYSA-N 0 1 389.279 3.764 20 10 GHCDMN O=C(NCCc1ccc2c[nH]nc2c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807242733 885323039 /nfs/dbraw/zinc/32/30/39/885323039.db2.gz PUSJMEMGYWXQBV-UHFFFAOYSA-N 0 1 379.247 3.617 20 10 GHCDMN CSCc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513165 885496748 /nfs/dbraw/zinc/49/67/48/885496748.db2.gz IJYMYDRUGAZVIM-UHFFFAOYSA-N 0 1 399.299 3.817 20 10 GHCDMN Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512939 885498126 /nfs/dbraw/zinc/49/81/26/885498126.db2.gz CDVLTEXEIXTWQF-UHFFFAOYSA-N 0 1 387.650 3.916 20 10 GHCDMN CCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000807513709 885498171 /nfs/dbraw/zinc/49/81/71/885498171.db2.gz TWTSXTIYOGLKLB-UHFFFAOYSA-N 0 1 385.222 3.655 20 10 GHCDMN C[C@H]1CCN(c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccn2)C1 ZINC000807841143 885773449 /nfs/dbraw/zinc/77/34/49/885773449.db2.gz SZCHZPFQOXKSGK-NSHDSACASA-N 0 1 380.275 3.870 20 10 GHCDMN Cc1nnc(-c2cccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c2)o1 ZINC000807835236 885798861 /nfs/dbraw/zinc/79/88/61/885798861.db2.gz AVFSUKBVNJJNQW-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN O=C(CCc1nnc(C2CCCC2)o1)NCc1cc(Cl)cc(Cl)c1O ZINC000807835616 885799020 /nfs/dbraw/zinc/79/90/20/885799020.db2.gz KDTDWSBOICJPMA-UHFFFAOYSA-N 0 1 384.263 3.989 20 10 GHCDMN O=C(CCc1nc(-c2ccoc2)no1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836731 885799417 /nfs/dbraw/zinc/79/94/17/885799417.db2.gz MNRUTGQCKOISTK-UHFFFAOYSA-N 0 1 382.203 3.591 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000807837260 885802213 /nfs/dbraw/zinc/80/22/13/885802213.db2.gz JAHWKGBQZNVRGA-ZIAGYGMSSA-N 0 1 394.254 3.890 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(NC(=O)C2CC2)c1 ZINC000807837352 885802373 /nfs/dbraw/zinc/80/23/73/885802373.db2.gz MPIZJWNBGIFLEH-UHFFFAOYSA-N 0 1 379.243 3.978 20 10 GHCDMN CC(C)(C)OC(=O)NCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838734 885803833 /nfs/dbraw/zinc/80/38/33/885803833.db2.gz QLZSEAANOKCNBR-UHFFFAOYSA-N 0 1 377.268 3.620 20 10 GHCDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1Cl ZINC000808115535 886027008 /nfs/dbraw/zinc/02/70/08/886027008.db2.gz HXIDHPXDWKEMAY-UHFFFAOYSA-N 0 1 381.168 3.547 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862242133 886242080 /nfs/dbraw/zinc/24/20/80/886242080.db2.gz XTFQHDXKXSEMII-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862242133 886242100 /nfs/dbraw/zinc/24/21/00/886242100.db2.gz XTFQHDXKXSEMII-ZDUSSCGKSA-N 0 1 383.330 3.529 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862254234 886261084 /nfs/dbraw/zinc/26/10/84/886261084.db2.gz WZERFCJDDOHFEK-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862254234 886261099 /nfs/dbraw/zinc/26/10/99/886261099.db2.gz WZERFCJDDOHFEK-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN COc1cc(Cl)cc(CNCc2cc(Br)cnc2OC)c1O ZINC000862484280 886402408 /nfs/dbraw/zinc/40/24/08/886402408.db2.gz IUCGGVWXOZXNQR-UHFFFAOYSA-N 0 1 387.661 3.510 20 10 GHCDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862497181 886417385 /nfs/dbraw/zinc/41/73/85/886417385.db2.gz QYENCRBGQBXEEA-LEWJYISDSA-N 0 1 377.440 3.640 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1c1ccc(O)cc1 ZINC000862497181 886417396 /nfs/dbraw/zinc/41/73/96/886417396.db2.gz QYENCRBGQBXEEA-LEWJYISDSA-N 0 1 377.440 3.640 20 10 GHCDMN Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000862960485 886784977 /nfs/dbraw/zinc/78/49/77/886784977.db2.gz MQSUNEZNKMHIBG-UHFFFAOYSA-N 0 1 395.547 3.729 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)cc12 ZINC001184362916 913146835 /nfs/dbraw/zinc/14/68/35/913146835.db2.gz WNNXTYPSOWIIDE-MRXNPFEDSA-N 0 1 388.508 3.570 20 10 GHCDMN COC(=O)[C@@H]1CC[C@@H](N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001170579950 887437465 /nfs/dbraw/zinc/43/74/65/887437465.db2.gz BAEXUNFOYRVWQR-IFMALSPDSA-N 0 1 394.515 3.729 20 10 GHCDMN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000809713298 887733840 /nfs/dbraw/zinc/73/38/40/887733840.db2.gz LWSUMJQGYFOBEN-DGCLKSJQSA-N 0 1 392.240 3.611 20 10 GHCDMN COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000809713790 887735434 /nfs/dbraw/zinc/73/54/34/887735434.db2.gz ZXDXTSQFIRHUKP-LBPRGKRZSA-N 0 1 393.281 3.670 20 10 GHCDMN COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000794802675 888073485 /nfs/dbraw/zinc/07/34/85/888073485.db2.gz GYCAMIFNZBEULU-NRFANRHFSA-N 0 1 387.863 3.565 20 10 GHCDMN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000794802675 888073497 /nfs/dbraw/zinc/07/34/97/888073497.db2.gz GYCAMIFNZBEULU-NRFANRHFSA-N 0 1 387.863 3.565 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227735 888302650 /nfs/dbraw/zinc/30/26/50/888302650.db2.gz HVGRHNSPMFIFRD-KGLIPLIRSA-N 0 1 394.459 3.593 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1cc(Br)ccc1[O-] ZINC000810261132 888323915 /nfs/dbraw/zinc/32/39/15/888323915.db2.gz UECFXRQYYFIIJK-AWEZNQCLSA-N 0 1 381.270 3.808 20 10 GHCDMN CCOc1cc(F)cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000865427165 888344620 /nfs/dbraw/zinc/34/46/20/888344620.db2.gz PJSKWQNFLKWEDO-UHFFFAOYSA-N 0 1 376.447 3.614 20 10 GHCDMN C[C@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866434431 888874225 /nfs/dbraw/zinc/87/42/25/888874225.db2.gz TWQXCLUHHBUNLJ-GUYCJALGSA-N 0 1 385.409 3.862 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000811803199 889986889 /nfs/dbraw/zinc/98/68/89/889986889.db2.gz IKAHNGMDNQPLAH-MRXNPFEDSA-N 0 1 397.862 3.626 20 10 GHCDMN COc1ccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000917073871 890963860 /nfs/dbraw/zinc/96/38/60/890963860.db2.gz FOHGSPCQMYTQOL-UHFFFAOYSA-N 0 1 399.510 3.523 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000917089961 891081468 /nfs/dbraw/zinc/08/14/68/891081468.db2.gz QVCBIRXLUJAVKY-UHFFFAOYSA-N 0 1 388.895 3.832 20 10 GHCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000123905152 891101029 /nfs/dbraw/zinc/10/10/29/891101029.db2.gz DAJJQQOCXSHIGT-UHFFFAOYSA-N 0 1 385.489 3.870 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000747838369 891274847 /nfs/dbraw/zinc/27/48/47/891274847.db2.gz ZVJNCRLDGDQFPE-UHFFFAOYSA-N 0 1 387.568 3.525 20 10 GHCDMN CCC(=O)Nc1cccc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873014702 891428510 /nfs/dbraw/zinc/42/85/10/891428510.db2.gz SWINWVIRZSIAOP-UHFFFAOYSA-N 0 1 378.476 3.578 20 10 GHCDMN CN(C)c1ccc(CN2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c(Cl)c1 ZINC001275369750 913588714 /nfs/dbraw/zinc/58/87/14/913588714.db2.gz DLKMEPSJYVCPFY-IBGZPJMESA-N 0 1 385.886 3.628 20 10 GHCDMN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1n[nH]c(C(C)C)n1 ZINC000813568292 891784844 /nfs/dbraw/zinc/78/48/44/891784844.db2.gz IFOFSXDTUIDOHB-UHFFFAOYSA-N 0 1 385.493 3.875 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000917393557 891887809 /nfs/dbraw/zinc/88/78/09/891887809.db2.gz RITIDIHNLMFTDV-UHFFFAOYSA-N 0 1 395.532 3.555 20 10 GHCDMN CCCN(CCC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC000874052083 891971265 /nfs/dbraw/zinc/97/12/65/891971265.db2.gz ZONZSKDTRUMPBD-WOJBJXKFSA-N 0 1 398.551 3.737 20 10 GHCDMN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814178333 892346513 /nfs/dbraw/zinc/34/65/13/892346513.db2.gz MGNMVKIUMDSUPH-QGZVFWFLSA-N 0 1 387.474 3.512 20 10 GHCDMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(Br)cc1O ZINC000825779658 892545423 /nfs/dbraw/zinc/54/54/23/892545423.db2.gz OHLLPNBSGDVGSG-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(Br)cc1[O-] ZINC000825779658 892545432 /nfs/dbraw/zinc/54/54/32/892545432.db2.gz OHLLPNBSGDVGSG-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(Br)cc1[O-] ZINC000825779658 892545439 /nfs/dbraw/zinc/54/54/39/892545439.db2.gz OHLLPNBSGDVGSG-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825784868 892573243 /nfs/dbraw/zinc/57/32/43/892573243.db2.gz QSTPUDQWRNURSV-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825784868 892573255 /nfs/dbraw/zinc/57/32/55/892573255.db2.gz QSTPUDQWRNURSV-GOSISDBHSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876851183 893361554 /nfs/dbraw/zinc/36/15/54/893361554.db2.gz IQTLCZNVWTVJJM-UHFFFAOYSA-N 0 1 384.448 3.500 20 10 GHCDMN Nc1c(F)cccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876941587 893395844 /nfs/dbraw/zinc/39/58/44/893395844.db2.gz OETXLMRJHHGUDY-UHFFFAOYSA-N 0 1 383.389 3.553 20 10 GHCDMN COc1ccc(F)c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000815115627 893448401 /nfs/dbraw/zinc/44/84/01/893448401.db2.gz KODHUHINCUGOFS-GASCZTMLSA-N 0 1 376.447 3.877 20 10 GHCDMN Cc1cc(CN[C@H](CO)c2ccc(Br)c(F)c2)ccc1N(C)C ZINC000815121543 893453698 /nfs/dbraw/zinc/45/36/98/893453698.db2.gz VYAPTIDIZNZWGC-QGZVFWFLSA-N 0 1 381.289 3.786 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000825934910 893470863 /nfs/dbraw/zinc/47/08/63/893470863.db2.gz MKUZZDGUYGMPFA-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN CCc1nocc1CNC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000815134618 893509083 /nfs/dbraw/zinc/50/90/83/893509083.db2.gz ABESZRVTPXDFPG-IBGZPJMESA-N 0 1 388.512 3.659 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccccc1OCCCCO ZINC000877520650 893662583 /nfs/dbraw/zinc/66/25/83/893662583.db2.gz DIUAVWZVZOJSJP-UHFFFAOYSA-N 0 1 380.282 3.596 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nccn1-c1ccccc1 ZINC000877533543 893670513 /nfs/dbraw/zinc/67/05/13/893670513.db2.gz PSJFFXVIIHEDQL-SFHVURJKSA-N 0 1 376.504 3.684 20 10 GHCDMN Cc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1 ZINC000288624936 913823219 /nfs/dbraw/zinc/82/32/19/913823219.db2.gz QLVCAFRFGMOREB-STQMWFEESA-N 0 1 390.919 3.563 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1 ZINC000826019377 893995313 /nfs/dbraw/zinc/99/53/13/893995313.db2.gz DRYSZIKCDCRIMV-NRFANRHFSA-N 0 1 378.520 3.543 20 10 GHCDMN COc1ccccc1[C@H](NCc1cc(Cl)c(F)cc1O)c1nccn1C ZINC000816533686 894902910 /nfs/dbraw/zinc/90/29/10/894902910.db2.gz GVLYPPGPRJLQHQ-SFHVURJKSA-N 0 1 375.831 3.806 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000816825839 895117919 /nfs/dbraw/zinc/11/79/19/895117919.db2.gz OIRQLSVNUASTCY-UHFFFAOYSA-N 0 1 377.492 3.678 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048202 896360694 /nfs/dbraw/zinc/36/06/94/896360694.db2.gz DYZSXOITQFAMQV-QRWLVFNGSA-N 0 1 386.492 3.659 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000129048202 896360709 /nfs/dbraw/zinc/36/07/09/896360709.db2.gz DYZSXOITQFAMQV-QRWLVFNGSA-N 0 1 386.492 3.659 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000819720418 896933662 /nfs/dbraw/zinc/93/36/62/896933662.db2.gz OXQSUPPAYWEOAZ-SFHVURJKSA-N 0 1 377.492 3.965 20 10 GHCDMN CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1Cl ZINC000883189939 897354847 /nfs/dbraw/zinc/35/48/47/897354847.db2.gz RUCBFEPVHNNGJW-KRWDZBQOSA-N 0 1 398.981 3.877 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(Br)cc1[O-] ZINC000883286352 897447409 /nfs/dbraw/zinc/44/74/09/897447409.db2.gz QHZWOBPAMFSNHJ-GFCCVEGCSA-N 0 1 390.281 3.535 20 10 GHCDMN Fc1cc(CNCc2cc3cc(Cl)cnc3o2)ccc1N1CCOCC1 ZINC000823671756 899183139 /nfs/dbraw/zinc/18/31/39/899183139.db2.gz VHZKJSHZZMSSHA-UHFFFAOYSA-N 0 1 375.831 3.747 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000824542774 899702832 /nfs/dbraw/zinc/70/28/32/899702832.db2.gz XKCIZSGGDYDZGP-CQSZACIVSA-N 0 1 387.281 3.577 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000824542774 899702838 /nfs/dbraw/zinc/70/28/38/899702838.db2.gz XKCIZSGGDYDZGP-CQSZACIVSA-N 0 1 387.281 3.577 20 10 GHCDMN COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nc(C(F)F)[nH]c43)C2)cc1 ZINC000824727631 899790035 /nfs/dbraw/zinc/79/00/35/899790035.db2.gz HJBXGRQCLXYKMR-GFCCVEGCSA-N 0 1 386.402 3.518 20 10 GHCDMN C[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824809305 899820021 /nfs/dbraw/zinc/82/00/21/899820021.db2.gz SVKDBVAOPDQBIL-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824809305 899820038 /nfs/dbraw/zinc/82/00/38/899820038.db2.gz SVKDBVAOPDQBIL-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825120421 899992162 /nfs/dbraw/zinc/99/21/62/899992162.db2.gz KJELIVWVSSYATL-UHFFFAOYSA-N 0 1 377.282 3.584 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447529 900170616 /nfs/dbraw/zinc/17/06/16/900170616.db2.gz VWFWKXCMKFEHCD-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825447529 900170621 /nfs/dbraw/zinc/17/06/21/900170621.db2.gz VWFWKXCMKFEHCD-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN c1cc2ccc(CN3CCN(c4ccc(OCc5cccnc5)cc4)CC3)nc2[nH]1 ZINC001144186826 901252651 /nfs/dbraw/zinc/25/26/51/901252651.db2.gz JXWXEOKMGGJZCC-UHFFFAOYSA-N 0 1 399.498 3.859 20 10 GHCDMN Cc1cc(Br)c(O)c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000844935592 901557401 /nfs/dbraw/zinc/55/74/01/901557401.db2.gz FKCRPWMFCGUWJQ-GOSISDBHSA-N 0 1 378.266 3.595 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)NCc2cc(Cl)ccc2O)N2CCCC2)o1 ZINC000844943600 901606939 /nfs/dbraw/zinc/60/69/39/901606939.db2.gz SXOONZSHIQOOOA-INIZCTEOSA-N 0 1 377.872 3.583 20 10 GHCDMN Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307703 901698203 /nfs/dbraw/zinc/69/82/03/901698203.db2.gz AJYGKNBUWYAQQZ-CYBMUJFWSA-N 0 1 381.245 3.651 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000845998201 902579793 /nfs/dbraw/zinc/57/97/93/902579793.db2.gz MNYQURJEHCZOMV-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN Cc1cc(Br)cc(C)c1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000048466829 903631470 /nfs/dbraw/zinc/63/14/70/903631470.db2.gz REJPXJFFQFLGBC-GASCZTMLSA-N 0 1 398.345 3.687 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779162629 904958902 /nfs/dbraw/zinc/95/89/02/904958902.db2.gz OAAQLPNSPTWLQC-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001172960695 906069803 /nfs/dbraw/zinc/06/98/03/906069803.db2.gz XURBJGASEOXASH-GFCCVEGCSA-N 0 1 387.318 3.890 20 10 GHCDMN C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172961474 906070515 /nfs/dbraw/zinc/07/05/15/906070515.db2.gz UJOUOJQHIKFWKA-GFCCVEGCSA-N 0 1 387.318 3.890 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc2ccccc2n1C ZINC000180045611 906675977 /nfs/dbraw/zinc/67/59/77/906675977.db2.gz CSXAJTKEJACUDC-HNNXBMFYSA-N 0 1 382.483 3.524 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109080 907714871 /nfs/dbraw/zinc/71/48/71/907714871.db2.gz FZBKMNMDMWBZAY-STQMWFEESA-N 0 1 382.913 3.708 20 10 GHCDMN COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185825604 907841041 /nfs/dbraw/zinc/84/10/41/907841041.db2.gz GVVCTEOUYKUALK-PXAZEXFGSA-N 0 1 380.282 3.938 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000186712388 907971676 /nfs/dbraw/zinc/97/16/76/907971676.db2.gz FXQMOUXWFKOFLV-LBPRGKRZSA-N 0 1 398.887 3.575 20 10 GHCDMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC001177938388 908825452 /nfs/dbraw/zinc/82/54/52/908825452.db2.gz QTDZGOLDLWIDQY-WFASDCNBSA-N 0 1 384.904 3.896 20 10 GHCDMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000269237421 910192341 /nfs/dbraw/zinc/19/23/41/910192341.db2.gz HAXIWMBNFPACOS-INIZCTEOSA-N 0 1 395.507 3.720 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H]1C ZINC001180935547 910437720 /nfs/dbraw/zinc/43/77/20/910437720.db2.gz OWRHOSUGOLEJEL-GDBMZVCRSA-N 0 1 395.341 3.823 20 10 GHCDMN CCOCc1cc(CN[C@@H](CO)c2ccc(Br)cc2)ccc1OC ZINC000270962386 910740619 /nfs/dbraw/zinc/74/06/19/910740619.db2.gz AYFXSDKQQFGPCJ-SFHVURJKSA-N 0 1 394.309 3.817 20 10 GHCDMN Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccc(F)c(F)c1O ZINC001182249090 911344300 /nfs/dbraw/zinc/34/43/00/911344300.db2.gz DKXMUYGRQJBOAO-UHFFFAOYSA-N 0 1 378.444 3.780 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2([C@H]3CCOC3)CC2)C1 ZINC000774109296 911395681 /nfs/dbraw/zinc/39/56/81/911395681.db2.gz DGKLQOJRFVSSIA-KRWDZBQOSA-N 0 1 382.504 3.520 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000283851780 911669460 /nfs/dbraw/zinc/66/94/60/911669460.db2.gz FWEMXIUPMBVYQV-LBPRGKRZSA-N 0 1 398.322 3.799 20 10 GHCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])nc(N2CCCC2)n1 ZINC000293740285 916356374 /nfs/dbraw/zinc/35/63/74/916356374.db2.gz QRLVVDPYZBZZAX-CYBMUJFWSA-N 0 1 391.313 3.704 20 10 GHCDMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)cc1 ZINC001190446996 917348851 /nfs/dbraw/zinc/34/88/51/917348851.db2.gz GFKUOAMBJDAIFC-UHFFFAOYSA-N 0 1 377.462 3.667 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000775488037 918244121 /nfs/dbraw/zinc/24/41/21/918244121.db2.gz GDTAMLHAUHYFOR-WMLDXEAASA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775509031 918476916 /nfs/dbraw/zinc/47/69/16/918476916.db2.gz YVWCVRYYBYHADC-QFBILLFUSA-N 0 1 388.943 3.692 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000281137576 919586776 /nfs/dbraw/zinc/58/67/76/919586776.db2.gz FNSOAAZDHASKRA-QGZVFWFLSA-N 0 1 394.494 3.823 20 10 GHCDMN CCOc1ccc(CN[C@H]2COc3cc(F)c(Br)cc32)c(O)c1 ZINC000800310234 919884675 /nfs/dbraw/zinc/88/46/75/919884675.db2.gz ZLQVKBIWJDHECY-HNNXBMFYSA-N 0 1 382.229 3.916 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000800709667 920382282 /nfs/dbraw/zinc/38/22/82/920382282.db2.gz KGJQOFIUDCXTHL-KRWDZBQOSA-N 0 1 382.508 3.701 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000802656484 922314911 /nfs/dbraw/zinc/31/49/11/922314911.db2.gz OXMGVQGUCWHLGI-HXUWFJFHSA-N 0 1 390.321 3.989 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000902669736 922387763 /nfs/dbraw/zinc/38/77/63/922387763.db2.gz JFXBGHQMXCALRO-XIRDDKMYSA-N 0 1 383.492 3.818 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000902669736 922387778 /nfs/dbraw/zinc/38/77/78/922387778.db2.gz JFXBGHQMXCALRO-XIRDDKMYSA-N 0 1 383.492 3.818 20 10 GHCDMN CC(C)c1[nH]ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000802781755 922398104 /nfs/dbraw/zinc/39/81/04/922398104.db2.gz GJVIKJGALXBURC-INIZCTEOSA-N 0 1 375.900 3.892 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000903425630 923016226 /nfs/dbraw/zinc/01/62/26/923016226.db2.gz LFHNHLJTFOZRCK-LBPRGKRZSA-N 0 1 380.897 3.801 20 10 GHCDMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1C(C)C ZINC000827095673 924738013 /nfs/dbraw/zinc/73/80/13/924738013.db2.gz JYLZKDFOAWGWQM-KRWDZBQOSA-N 0 1 390.915 3.526 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276078209 925246942 /nfs/dbraw/zinc/24/69/42/925246942.db2.gz IKOGUKKSGDOMNJ-UKRRQHHQSA-N 0 1 395.341 3.672 20 10 GHCDMN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1n[nH]c2ccccc21 ZINC000726566228 926741721 /nfs/dbraw/zinc/74/17/21/926741721.db2.gz KUKMYOHXXDVQCK-UHFFFAOYSA-N 0 1 386.402 3.563 20 10 GHCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962360 926957958 /nfs/dbraw/zinc/95/79/58/926957958.db2.gz WMOUZVVHRAFBCC-CVEARBPZSA-N 0 1 396.487 3.655 20 10 GHCDMN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962360 926957963 /nfs/dbraw/zinc/95/79/63/926957963.db2.gz WMOUZVVHRAFBCC-CVEARBPZSA-N 0 1 396.487 3.655 20 10 GHCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962362 926958450 /nfs/dbraw/zinc/95/84/50/926958450.db2.gz WMOUZVVHRAFBCC-HOTGVXAUSA-N 0 1 396.487 3.655 20 10 GHCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962362 926958456 /nfs/dbraw/zinc/95/84/56/926958456.db2.gz WMOUZVVHRAFBCC-HOTGVXAUSA-N 0 1 396.487 3.655 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758187669 929965916 /nfs/dbraw/zinc/96/59/16/929965916.db2.gz ASQSALORCDTSQF-HSZRJFAPSA-N 0 1 380.536 3.506 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758530706 930072990 /nfs/dbraw/zinc/07/29/90/930072990.db2.gz VRWKULYDPACRDX-WMZOPIPTSA-N 0 1 380.257 3.550 20 10 GHCDMN COc1cc2nc(NCc3ccc(N4CCN(C)CC4)cc3)sc2cc1OC ZINC000777511304 931295983 /nfs/dbraw/zinc/29/59/83/931295983.db2.gz GPWJAQOKFDHZAC-UHFFFAOYSA-N 0 1 398.532 3.677 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1cc(Br)ccc1[O-] ZINC000784055301 931768436 /nfs/dbraw/zinc/76/84/36/931768436.db2.gz BKXBMOJUMYDALO-INIZCTEOSA-N 0 1 393.329 3.896 20 10 GHCDMN Cc1cc(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001124639469 935434392 /nfs/dbraw/zinc/43/43/92/935434392.db2.gz CUOIGSCYHYRKMI-OALUTQOASA-N 0 1 397.563 3.641 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN(Cc4cccc(F)c4)CC3)cc2)CC1 ZINC000828067229 935572381 /nfs/dbraw/zinc/57/23/81/935572381.db2.gz DVTKIRUDXLIVLK-UHFFFAOYSA-N 0 1 397.538 3.759 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)c(Cl)c1 ZINC000828074729 935574221 /nfs/dbraw/zinc/57/42/21/935574221.db2.gz XAWFFHBOUMTFDL-UHFFFAOYSA-N 0 1 397.910 3.924 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001137836344 935815756 /nfs/dbraw/zinc/81/57/56/935815756.db2.gz ZLZDLMOHOOSARG-FCHUYYIVSA-N 0 1 386.467 3.514 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c1O ZINC001599420558 997586393 /nfs/dbraw/zinc/58/63/93/997586393.db2.gz LHOWPKDQKOKBLN-JTQLQIEISA-N 0 1 382.869 3.589 20 10 GHCDMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC001599450703 998091130 /nfs/dbraw/zinc/09/11/30/998091130.db2.gz TUERXQHCSVNFOG-QFIPXVFZSA-N 0 1 398.503 3.952 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2ncn(C)c21 ZINC001204235353 1032681268 /nfs/dbraw/zinc/68/12/68/1032681268.db2.gz MTKHQTVCFXRYED-GOSISDBHSA-N 0 1 378.520 3.775 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000779224366 1020536309 /nfs/dbraw/zinc/53/63/09/1020536309.db2.gz BCIIDKKAYMUAQO-FQEVSTJZSA-N 0 1 395.330 3.768 20 10 GHCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779224366 1020536338 /nfs/dbraw/zinc/53/63/38/1020536338.db2.gz BCIIDKKAYMUAQO-FQEVSTJZSA-N 0 1 395.330 3.768 20 10 GHCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779224366 1020536345 /nfs/dbraw/zinc/53/63/45/1020536345.db2.gz BCIIDKKAYMUAQO-FQEVSTJZSA-N 0 1 395.330 3.768 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4c(C)c[nH]c4n3)CC2)cc1 ZINC001156260971 1032947702 /nfs/dbraw/zinc/94/77/02/1032947702.db2.gz NDJQYDCDFYVUEL-UHFFFAOYSA-N 0 1 379.508 3.504 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc(CSC)ccn3)CC2)cc1 ZINC001156262946 1032949078 /nfs/dbraw/zinc/94/90/78/1032949078.db2.gz JWYYJKBDRGXEOD-UHFFFAOYSA-N 0 1 386.565 3.577 20 10 GHCDMN COc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000091772076 1021083906 /nfs/dbraw/zinc/08/39/06/1021083906.db2.gz LEGNDICKTQBJBU-QHCPKHFHSA-N 0 1 396.531 3.713 20 10 GHCDMN Cc1ccc(F)cc1-c1nnc(NCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000834478833 1021215699 /nfs/dbraw/zinc/21/56/99/1021215699.db2.gz YYMYVKVVIXVWEY-UHFFFAOYSA-N 0 1 381.455 3.548 20 10 GHCDMN COc1ccc(OC)c(CN2CCN(Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC001204601722 1032990190 /nfs/dbraw/zinc/99/01/90/1032990190.db2.gz KOCUSMUAZPOTHP-UHFFFAOYSA-N 0 1 394.874 3.520 20 10 GHCDMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001204608467 1032992527 /nfs/dbraw/zinc/99/25/27/1032992527.db2.gz IBDOTTAKJNYDTF-MRXNPFEDSA-N 0 1 376.859 3.969 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140463001 1021753988 /nfs/dbraw/zinc/75/39/88/1021753988.db2.gz RNFKKOFBQLBJMI-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140463001 1021754002 /nfs/dbraw/zinc/75/40/02/1021754002.db2.gz RNFKKOFBQLBJMI-UHFFFAOYSA-N 0 1 393.940 3.585 20 10 GHCDMN O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)N1Cc1ccncc1 ZINC001140467160 1021761987 /nfs/dbraw/zinc/76/19/87/1021761987.db2.gz NLTUBFRKCQFQFC-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)N1Cc1ccncc1 ZINC001140467160 1021761997 /nfs/dbraw/zinc/76/19/97/1021761997.db2.gz NLTUBFRKCQFQFC-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN Cc1[nH]c(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(C)c1C(=O)[O-] ZINC001140499047 1021873905 /nfs/dbraw/zinc/87/39/05/1021873905.db2.gz XZUTUPFHEJQFHI-UHFFFAOYSA-N 0 1 397.397 3.551 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(F)cc2F)C[C@H]1C(F)(F)F ZINC001140585349 1022009630 /nfs/dbraw/zinc/00/96/30/1022009630.db2.gz GIERYZGAJOYLII-AWEZNQCLSA-N 0 1 396.356 3.654 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c(Cl)c1 ZINC001140924216 1022900946 /nfs/dbraw/zinc/90/09/46/1022900946.db2.gz LEXGMYSJSCPQDF-RXVVDRJESA-N 0 1 387.911 3.613 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Br)ccc1O ZINC000755020240 1023024987 /nfs/dbraw/zinc/02/49/87/1023024987.db2.gz QRNDSGXWFYPMOR-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000836615422 1023170418 /nfs/dbraw/zinc/17/04/18/1023170418.db2.gz NISKQCOVVBXMHU-HOCLYGCPSA-N 0 1 396.274 3.814 20 10 GHCDMN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756461282 1023662851 /nfs/dbraw/zinc/66/28/51/1023662851.db2.gz XRFZPDPDUGQNGM-GXTWGEPZSA-N 0 1 382.273 3.796 20 10 GHCDMN Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756461780 1023664680 /nfs/dbraw/zinc/66/46/80/1023664680.db2.gz VRSIIYPJCNLKBI-GDBMZVCRSA-N 0 1 394.309 3.862 20 10 GHCDMN C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756477493 1023676567 /nfs/dbraw/zinc/67/65/67/1023676567.db2.gz XUQFBGDPXPHYHW-IFXJQAMLSA-N 0 1 378.875 3.909 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756661313 1023761481 /nfs/dbraw/zinc/76/14/81/1023761481.db2.gz QRBGODJCZUOTHG-LRDDRELGSA-N 0 1 375.266 3.611 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138123614 1024167686 /nfs/dbraw/zinc/16/76/86/1024167686.db2.gz CHXLSQFCQMJIOA-JXFKEZNVSA-N 0 1 382.451 3.702 20 10 GHCDMN CCN1CCn2c(C)cnc2C12CCN(Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138255635 1024479036 /nfs/dbraw/zinc/47/90/36/1024479036.db2.gz NROHPKVZIDVKQL-UHFFFAOYSA-N 0 1 391.563 3.818 20 10 GHCDMN CCO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001141368863 1024745803 /nfs/dbraw/zinc/74/58/03/1024745803.db2.gz DXPZFBGRYIIBNJ-FMKPAKJESA-N 0 1 390.705 3.576 20 10 GHCDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141377060 1024774324 /nfs/dbraw/zinc/77/43/24/1024774324.db2.gz HZEIVYFDTZWFLT-JTQLQIEISA-N 0 1 376.678 3.583 20 10 GHCDMN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)nc1 ZINC001141377694 1024775230 /nfs/dbraw/zinc/77/52/30/1024775230.db2.gz XYUVVDDEHUGELR-CYBMUJFWSA-N 0 1 398.688 3.560 20 10 GHCDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138505335 1024940979 /nfs/dbraw/zinc/94/09/79/1024940979.db2.gz RPRQQEHAVBFYEI-UHFFFAOYSA-N 0 1 377.488 3.908 20 10 GHCDMN C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000839092560 1025590709 /nfs/dbraw/zinc/59/07/09/1025590709.db2.gz RCQANYZKHOTKTJ-CQSZACIVSA-N 0 1 391.309 3.670 20 10 GHCDMN Cc1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)n1-c1ccccc1 ZINC000839146375 1025644281 /nfs/dbraw/zinc/64/42/81/1025644281.db2.gz FUJRKAVHEZRXDE-UHFFFAOYSA-N 0 1 398.457 3.585 20 10 GHCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(Br)cnc1N ZINC001139449785 1026316834 /nfs/dbraw/zinc/31/68/34/1026316834.db2.gz AJODFEOOCNIQKX-UHFFFAOYSA-N 0 1 375.314 3.659 20 10 GHCDMN Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681804 1026537653 /nfs/dbraw/zinc/53/76/53/1026537653.db2.gz YTWODSGSXKZXQJ-UHFFFAOYSA-N 0 1 391.462 3.906 20 10 GHCDMN Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681804 1026537658 /nfs/dbraw/zinc/53/76/58/1026537658.db2.gz YTWODSGSXKZXQJ-UHFFFAOYSA-N 0 1 391.462 3.906 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688058 1026538914 /nfs/dbraw/zinc/53/89/14/1026538914.db2.gz XWRYDEYFQHLXSC-OALUTQOASA-N 0 1 375.415 3.982 20 10 GHCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001139686249 1026539053 /nfs/dbraw/zinc/53/90/53/1026539053.db2.gz RBBMWCOIZZLUDP-HOTGVXAUSA-N 0 1 375.415 3.839 20 10 GHCDMN CN(Cc1c(O)cccc1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140101981 1026880798 /nfs/dbraw/zinc/88/07/98/1026880798.db2.gz GGJJUVINBTYNFJ-ZDUSSCGKSA-N 0 1 399.329 3.986 20 10 GHCDMN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC001140102432 1026882625 /nfs/dbraw/zinc/88/26/25/1026882625.db2.gz QULKHBGAIYIDPP-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC001140102432 1026882638 /nfs/dbraw/zinc/88/26/38/1026882638.db2.gz QULKHBGAIYIDPP-CQSZACIVSA-N 0 1 377.282 3.902 20 10 GHCDMN C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140103299 1026883895 /nfs/dbraw/zinc/88/38/95/1026883895.db2.gz ISDOAEKGQQENLX-DOMZBBRYSA-N 0 1 399.329 3.890 20 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Oc1ccc(Br)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001203645540 1027502200 /nfs/dbraw/zinc/50/22/00/1027502200.db2.gz MDNPELQFFADTPZ-APWZRJJASA-N 0 1 387.321 3.861 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)N1Cc1ccncc1 ZINC001203655747 1027509437 /nfs/dbraw/zinc/50/94/37/1027509437.db2.gz CBPRRBMFMAVYEV-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)N1Cc1ccncc1 ZINC001203655747 1027509442 /nfs/dbraw/zinc/50/94/42/1027509442.db2.gz CBPRRBMFMAVYEV-OAQYLSRUSA-N 0 1 385.895 3.598 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001203656750 1027511748 /nfs/dbraw/zinc/51/17/48/1027511748.db2.gz WUHNBRCKUJTEAZ-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001203656750 1027511756 /nfs/dbraw/zinc/51/17/56/1027511756.db2.gz WUHNBRCKUJTEAZ-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882557 1027677134 /nfs/dbraw/zinc/67/71/34/1027677134.db2.gz LLAMKDBEZQKRAK-QGZVFWFLSA-N 0 1 376.497 3.709 20 10 GHCDMN COc1ccc2c(c1F)CC[C@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840757409 1027795449 /nfs/dbraw/zinc/79/54/49/1027795449.db2.gz JSCFYDIYHPSKRA-GOSISDBHSA-N 0 1 392.421 3.726 20 10 GHCDMN Cc1ccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000840760650 1027800151 /nfs/dbraw/zinc/80/01/51/1027800151.db2.gz AAZHFZVSWQGCHH-CQSZACIVSA-N 0 1 391.418 3.869 20 10 GHCDMN COc1ccc(C)cc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760801 1027801180 /nfs/dbraw/zinc/80/11/80/1027801180.db2.gz GGRINYORHZPZHW-HNNXBMFYSA-N 0 1 376.447 3.969 20 10 GHCDMN COc1cc(C)ccc1[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760961 1027803724 /nfs/dbraw/zinc/80/37/24/1027803724.db2.gz LTBRGJGGBVSXQI-OAHLLOKOSA-N 0 1 376.447 3.969 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cc(Br)ccc1[O-] ZINC000840807822 1027847387 /nfs/dbraw/zinc/84/73/87/1027847387.db2.gz CICFVUYHRAHZOS-KDOFPFPSSA-N 0 1 394.309 3.980 20 10 GHCDMN COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000840808910 1027849697 /nfs/dbraw/zinc/84/96/97/1027849697.db2.gz OLPAZERYFZFJIU-TZMCWYRMSA-N 0 1 380.282 3.590 20 10 GHCDMN CN1CCN(c2ccc(C[NH+]3CCC(c4ccccc4C(=O)[O-])CC3)cc2)CC1 ZINC000840998090 1028031883 /nfs/dbraw/zinc/03/18/83/1028031883.db2.gz FCFNIWKTAOHNES-UHFFFAOYSA-N 0 1 393.531 3.516 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(Cl)cc1[O-] ZINC000841744747 1028907883 /nfs/dbraw/zinc/90/78/83/1028907883.db2.gz KJQMZJBIWDUJIG-KBXCAEBGSA-N 0 1 388.895 3.805 20 10 GHCDMN Cc1cc(Br)c(O)c(CNc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC001461506987 1069582620 /nfs/dbraw/zinc/58/26/20/1069582620.db2.gz PQWZXYCOWIPJLU-UHFFFAOYSA-N 0 1 377.217 3.999 20 10 GHCDMN C[C@@H]1CC2(C[N@H+]1Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])CCOCC2 ZINC000842636955 1029443657 /nfs/dbraw/zinc/44/36/57/1029443657.db2.gz GWYIGGGOKCKKST-MRXNPFEDSA-N 0 1 381.472 3.720 20 10 GHCDMN 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GHCDMN O=C1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CCCCCCN1 ZINC001207094790 1034090361 /nfs/dbraw/zinc/09/03/61/1034090361.db2.gz WLHPPSGTKFSZKV-UHFFFAOYSA-N 0 1 389.721 3.690 20 10 GHCDMN COc1c([O-])c(C[N@H+](C)C[C@H]2CCCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001207252155 1034213420 /nfs/dbraw/zinc/21/34/20/1034213420.db2.gz BEUFURFGJPXSLZ-LJQANCHMSA-N 0 1 399.491 3.796 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)C[C@H]2CCCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001207252155 1034213439 /nfs/dbraw/zinc/21/34/39/1034213439.db2.gz BEUFURFGJPXSLZ-LJQANCHMSA-N 0 1 399.491 3.796 20 10 GHCDMN O=C(NCc1cnc(C(F)(F)F)nc1)NCc1cc(Cl)cc(Cl)c1O ZINC001230909004 1034282660 /nfs/dbraw/zinc/28/26/60/1034282660.db2.gz YNUKJVJHBZBEEO-UHFFFAOYSA-N 0 1 395.168 3.507 20 10 GHCDMN CC(C)N1CCC(Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001231252587 1034486365 /nfs/dbraw/zinc/48/63/65/1034486365.db2.gz BYWZXEFBQHVLJE-UHFFFAOYSA-N 0 1 394.427 3.622 20 10 GHCDMN c1[nH]c2cccnc2c1CN1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001231493448 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3.640 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001231854477 1034944249 /nfs/dbraw/zinc/94/42/49/1034944249.db2.gz DVVCKMRWZKCPKR-MAUKXSAKSA-N 0 1 377.529 3.639 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1Cl ZINC001231867505 1034953903 /nfs/dbraw/zinc/95/39/03/1034953903.db2.gz NPKSOQGTHVMXBY-GHTZIAJQSA-N 0 1 388.895 3.952 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1Cl ZINC001231867505 1034953907 /nfs/dbraw/zinc/95/39/07/1034953907.db2.gz NPKSOQGTHVMXBY-GHTZIAJQSA-N 0 1 388.895 3.952 20 10 GHCDMN [O-]c1c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)ccc2ccccc21 ZINC001231880236 1034965085 /nfs/dbraw/zinc/96/50/85/1034965085.db2.gz JUEGSOAZTPVSLJ-ZJSXRUAMSA-N 0 1 390.483 3.606 20 10 GHCDMN [O-]c1c(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)ccc2ccccc21 ZINC001231880236 1034965089 /nfs/dbraw/zinc/96/50/89/1034965089.db2.gz JUEGSOAZTPVSLJ-ZJSXRUAMSA-N 0 1 390.483 3.606 20 10 GHCDMN 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ZOJREHWUAAFEDI-UHFFFAOYSA-N 0 1 379.548 3.813 20 10 GHCDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)o2)c1 ZINC001308225759 1049919384 /nfs/dbraw/zinc/91/93/84/1049919384.db2.gz XYPZRODHDBUCLK-UHFFFAOYSA-N 0 1 393.443 3.981 20 10 GHCDMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308616966 1050033815 /nfs/dbraw/zinc/03/38/15/1050033815.db2.gz ZHMBUHCSNYLXTJ-MRXNPFEDSA-N 0 1 376.403 3.591 20 10 GHCDMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308616966 1050033820 /nfs/dbraw/zinc/03/38/20/1050033820.db2.gz ZHMBUHCSNYLXTJ-MRXNPFEDSA-N 0 1 376.403 3.591 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2COC(=O)N2CCCC2)c1O ZINC001308756939 1050084249 /nfs/dbraw/zinc/08/42/49/1050084249.db2.gz WFXVLXXTDLQMFS-MRXNPFEDSA-N 0 1 382.888 3.641 20 10 GHCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1c1ccc(F)cc1F ZINC001329158445 1050736862 /nfs/dbraw/zinc/73/68/62/1050736862.db2.gz RTNRTCCPZKYDCI-PKOBYXMFSA-N 0 1 398.409 3.607 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1c1ccc(F)cc1F ZINC001329158445 1050736874 /nfs/dbraw/zinc/73/68/74/1050736874.db2.gz RTNRTCCPZKYDCI-PKOBYXMFSA-N 0 1 398.409 3.607 20 10 GHCDMN CC(C)c1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000756358626 1051047827 /nfs/dbraw/zinc/04/78/27/1051047827.db2.gz BJVYANQCZFQRQQ-HSZRJFAPSA-N 0 1 395.547 3.867 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc[nH]c3=O)no2)C1 ZINC001332052595 1051446943 /nfs/dbraw/zinc/44/69/43/1051446943.db2.gz GVMVWODZRVNKFC-UHFFFAOYSA-N 0 1 389.459 3.607 20 10 GHCDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001311544424 1052234880 /nfs/dbraw/zinc/23/48/80/1052234880.db2.gz SGLTYQOFOHAGOT-QFIPXVFZSA-N 0 1 380.536 3.731 20 10 GHCDMN C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(Cl)cc1 ZINC001312828556 1052886356 /nfs/dbraw/zinc/88/63/56/1052886356.db2.gz OTOTUVRYFTXUBZ-INIZCTEOSA-N 0 1 386.927 3.652 20 10 GHCDMN CCOc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC001319396798 1055226551 /nfs/dbraw/zinc/22/65/51/1055226551.db2.gz CKILDKVGPMYKLH-UHFFFAOYSA-N 0 1 394.450 3.577 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1N1CCCC1=O ZINC001324327926 1057112432 /nfs/dbraw/zinc/11/24/32/1057112432.db2.gz SWFZPRPWHQGMPE-UHFFFAOYSA-N 0 1 379.243 3.756 20 10 GHCDMN CN1CC[C@@H](NC(=O)NCCCSc2nccs2)[C@@H]1c1ccc(F)cc1 ZINC001324409902 1057127049 /nfs/dbraw/zinc/12/70/49/1057127049.db2.gz MIRYYYIVHNRBEW-CVEARBPZSA-N 0 1 394.541 3.509 20 10 GHCDMN CN1CC[C@@H](NC(=O)NCCCSc2nccs2)[C@H]1c1ccc(F)cc1 ZINC001324409904 1057127250 /nfs/dbraw/zinc/12/72/50/1057127250.db2.gz MIRYYYIVHNRBEW-HZPDHXFCSA-N 0 1 394.541 3.509 20 10 GHCDMN CCOCCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001445880247 1059644488 /nfs/dbraw/zinc/64/44/88/1059644488.db2.gz FYKNWXRKRMRMCU-SFHVURJKSA-N 0 1 382.932 3.723 20 10 GHCDMN CCOc1ccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001341377116 1060626266 /nfs/dbraw/zinc/62/62/66/1060626266.db2.gz QLOXPYWGOHCGIV-UHFFFAOYSA-N 0 1 398.532 3.952 20 10 GHCDMN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001450724945 1060668302 /nfs/dbraw/zinc/66/83/02/1060668302.db2.gz UUAIUBMKMZWLDL-JTQLQIEISA-N 0 1 391.295 3.961 20 10 GHCDMN COc1ccccc1N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001348089268 1062913168 /nfs/dbraw/zinc/91/31/68/1062913168.db2.gz HFZSFOKOOSWQLP-CYBMUJFWSA-N 0 1 377.282 3.532 20 10 GHCDMN COc1ccccc1N1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001348089269 1062913514 /nfs/dbraw/zinc/91/35/14/1062913514.db2.gz HFZSFOKOOSWQLP-ZDUSSCGKSA-N 0 1 377.282 3.532 20 10 GHCDMN O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1c(F)ccc(O)c1O ZINC001457932351 1063448589 /nfs/dbraw/zinc/44/85/89/1063448589.db2.gz IULPHWYESNVKNB-UHFFFAOYSA-N 0 1 380.347 3.815 20 10 GHCDMN CCCCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001438887101 1064133604 /nfs/dbraw/zinc/13/36/04/1064133604.db2.gz NRZDEVDWLUBNSE-UHFFFAOYSA-N 0 1 381.520 3.547 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCCC3(C)C)CC2)cc1 ZINC001350975599 1064231325 /nfs/dbraw/zinc/23/13/25/1064231325.db2.gz CJDIDLNFBUIWFJ-NRFANRHFSA-N 0 1 387.568 3.540 20 10 GHCDMN CCn1cc(Cl)c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC001439379276 1064235559 /nfs/dbraw/zinc/23/55/59/1064235559.db2.gz AKXXLAFLASFLEE-UHFFFAOYSA-N 0 1 399.926 3.916 20 10 GHCDMN CCc1ccc([C@H](CNC(=O)NCc2cccc(Cl)c2[O-])[NH+](C)C)cc1 ZINC001468017932 1067567434 /nfs/dbraw/zinc/56/74/34/1067567434.db2.gz JKOBMHNLFNIGJZ-SFHVURJKSA-N 0 1 375.900 3.710 20 10 GHCDMN COc1cc(C(N)=O)ccc1NCc1cc(Cl)cc(Br)c1O ZINC001474577389 1067718479 /nfs/dbraw/zinc/71/84/79/1067718479.db2.gz PTQOWGHQLSOFOB-UHFFFAOYSA-N 0 1 385.645 3.528 20 10 GHCDMN CCOc1cccc(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1O ZINC000849479816 1067860113 /nfs/dbraw/zinc/86/01/13/1067860113.db2.gz VZODTSBBNRCJTC-QFIPXVFZSA-N 0 1 399.535 3.997 20 10 GHCDMN O=C(CN1CC[C@H](C2OCCO2)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001460788936 1069179530 /nfs/dbraw/zinc/17/95/30/1069179530.db2.gz WLVHMTVWYBZXCM-INIZCTEOSA-N 0 1 380.448 3.735 20 10 GHCDMN CCc1c[nH]c2ncnc(N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4[O-])C3)c12 ZINC001472688321 1073620385 /nfs/dbraw/zinc/62/03/85/1073620385.db2.gz UHFLXJBERYXZFV-MRXNPFEDSA-N 0 1 385.899 3.956 20 10 GHCDMN CCc1c[nH]c2ncnc(N[C@@H]3CCC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)c12 ZINC001472688321 1073620386 /nfs/dbraw/zinc/62/03/86/1073620386.db2.gz UHFLXJBERYXZFV-MRXNPFEDSA-N 0 1 385.899 3.956 20 10 GHCDMN COC(=O)c1ccc(Br)c(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001473329779 1073923286 /nfs/dbraw/zinc/92/32/86/1073923286.db2.gz PXVQTWUHJPAQBW-NSHDSACASA-N 0 1 394.265 3.801 20 10 GHCDMN COc1ccc(CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c(O)c1OC ZINC001474313449 1074337142 /nfs/dbraw/zinc/33/71/42/1074337142.db2.gz BDEBEICKPIPVCC-HNNXBMFYSA-N 0 1 390.911 3.942 20 10 GHCDMN COc1cc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c(O)c(C(C)(C)C)c1 ZINC001474367347 1074366561 /nfs/dbraw/zinc/36/65/61/1074366561.db2.gz XPZHCIWKFFKWFO-FQEVSTJZSA-N 0 1 382.504 3.936 20 10 GHCDMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1C ZINC001474687078 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FHXBZCCTUWZYMS-RDTXWAMCSA-N 0 1 375.310 3.907 20 10 GHCDMN COC(=O)[C@H](c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C(C)C ZINC001167434928 840196601 /nfs/dbraw/zinc/19/66/01/840196601.db2.gz ZRZXGYUHHVCYOZ-QHCPKHFHSA-N 0 1 395.547 3.963 20 10 GHCDMN CC(C)n1nccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000581050700 840646988 /nfs/dbraw/zinc/64/69/88/840646988.db2.gz JWMDTGLPBUSWRX-UHFFFAOYSA-N 0 1 379.508 3.824 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1(C)C ZINC000706841916 840954026 /nfs/dbraw/zinc/95/40/26/840954026.db2.gz DTJUXHYMOLWAFY-GJZGRUSLSA-N 0 1 399.329 3.936 20 10 GHCDMN COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000781912340 841544327 /nfs/dbraw/zinc/54/43/27/841544327.db2.gz PFPSWGSLBDOLHJ-KRWDZBQOSA-N 0 1 380.282 3.637 20 10 GHCDMN O=C1/C(=C/c2cccnc2)SC(=S)N1C1CCN(Cc2ccccc2)CC1 ZINC000255341019 841906048 /nfs/dbraw/zinc/90/60/48/841906048.db2.gz JEJQLBZNSOJCCS-UYRXBGFRSA-N 0 1 395.553 3.947 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(F)CC2)C1 ZINC000684517023 843103361 /nfs/dbraw/zinc/10/33/61/843103361.db2.gz ABSWFHOZGGEEDK-UHFFFAOYSA-N 0 1 375.463 3.666 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(F)CC2)C1 ZINC000684517023 843103368 /nfs/dbraw/zinc/10/33/68/843103368.db2.gz ABSWFHOZGGEEDK-UHFFFAOYSA-N 0 1 375.463 3.666 20 10 GHCDMN CCN(CC)[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000729259006 844815582 /nfs/dbraw/zinc/81/55/82/844815582.db2.gz FVFPFYUUFQBRDR-QHCPKHFHSA-N 0 1 395.547 3.565 20 10 GHCDMN CCc1ccnc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000514649802 850104277 /nfs/dbraw/zinc/10/42/77/850104277.db2.gz QXQSAXBDSHSXAS-UHFFFAOYSA-N 0 1 390.531 3.682 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccccc3C2)C1 ZINC000435666868 850727414 /nfs/dbraw/zinc/72/74/14/850727414.db2.gz CWVOURBHKUAYLY-UHFFFAOYSA-N 0 1 387.527 3.993 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCCS2)C1 ZINC000435808894 850889800 /nfs/dbraw/zinc/88/98/00/850889800.db2.gz LIZYDYXCKHFCHB-QFIPXVFZSA-N 0 1 385.577 3.810 20 10 GHCDMN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)c1 ZINC000732287445 862192567 /nfs/dbraw/zinc/19/25/67/862192567.db2.gz XABZBUYSCGFGRU-ROUUACIJSA-N 0 1 396.531 3.921 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(CC(F)F)C2)C1 ZINC000425073743 851043660 /nfs/dbraw/zinc/04/36/60/851043660.db2.gz GLHNSYFPQZUZDQ-UHFFFAOYSA-N 0 1 375.463 3.521 20 10 GHCDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000912110591 852083725 /nfs/dbraw/zinc/08/37/25/852083725.db2.gz PRXOTMQSQQTQKH-SUMWQHHRSA-N 0 1 394.441 3.733 20 10 GHCDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000912110588 852083753 /nfs/dbraw/zinc/08/37/53/852083753.db2.gz PRXOTMQSQQTQKH-CXAGYDPISA-N 0 1 394.441 3.733 20 10 GHCDMN Cc1ccncc1N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000519862263 853561761 /nfs/dbraw/zinc/56/17/61/853561761.db2.gz YXDMKCIFGDXMIG-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN Cc1ccncc1N(C)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000519862263 853561767 /nfs/dbraw/zinc/56/17/67/853561767.db2.gz YXDMKCIFGDXMIG-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN C[C@H](NCc1cn(C)nc1Br)c1ccc(Br)cc1O ZINC000903188673 855105448 /nfs/dbraw/zinc/10/54/48/855105448.db2.gz VQQNCHQXSOPSCK-QMMMGPOBSA-N 0 1 389.091 3.502 20 10 GHCDMN C[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(Br)cc1[O-] ZINC000903188673 855105450 /nfs/dbraw/zinc/10/54/50/855105450.db2.gz VQQNCHQXSOPSCK-QMMMGPOBSA-N 0 1 389.091 3.502 20 10 GHCDMN O=C(NCCC[NH2+]Cc1c([O-])cccc1Cl)c1cccc(Br)c1 ZINC000733327405 862870170 /nfs/dbraw/zinc/87/01/70/862870170.db2.gz QGRSHSLIAFGXCG-UHFFFAOYSA-N 0 1 397.700 3.718 20 10 GHCDMN CS(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000922069495 857720737 /nfs/dbraw/zinc/72/07/37/857720737.db2.gz MWWVWLXOGLYBOZ-UHFFFAOYSA-N 0 1 399.434 3.724 20 10 GHCDMN C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000152997355 881366027 /nfs/dbraw/zinc/36/60/27/881366027.db2.gz 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386.923 3.931 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)CC[C@H]21 ZINC000793713144 882371574 /nfs/dbraw/zinc/37/15/74/882371574.db2.gz ZLLASQGYBIQPOY-VQIMIIECSA-N 0 1 383.492 3.772 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)CC[C@H]21 ZINC000793713144 882371591 /nfs/dbraw/zinc/37/15/91/882371591.db2.gz ZLLASQGYBIQPOY-VQIMIIECSA-N 0 1 383.492 3.772 20 10 GHCDMN CN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3-c3nnc[nH]3)cs2)cc1 ZINC001193172192 870905642 /nfs/dbraw/zinc/90/56/42/870905642.db2.gz CWISMTSXCNLCKR-UHFFFAOYSA-N 0 1 390.472 3.914 20 10 GHCDMN COc1ccc(N2CCN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC2)c(C)c1 ZINC001168879126 870966007 /nfs/dbraw/zinc/96/60/07/870966007.db2.gz GBWNXVIOGONSLF-ZWKOTPCHSA-N 0 1 389.540 3.524 20 10 GHCDMN CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccccc1 ZINC001193589070 871174701 /nfs/dbraw/zinc/17/47/01/871174701.db2.gz BHJDNSBVXRFELJ-HNNXBMFYSA-N 0 1 377.824 3.564 20 10 GHCDMN 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0 1 379.437 3.849 20 10 GHCDMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769333735 873973459 /nfs/dbraw/zinc/97/34/59/873973459.db2.gz JVPAEZISNYVKHA-CYBMUJFWSA-N 0 1 385.302 3.596 20 10 GHCDMN CCOc1ccc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)c(O)c1 ZINC000769481755 874062792 /nfs/dbraw/zinc/06/27/92/874062792.db2.gz VDHYXTIWIKSROK-UHFFFAOYSA-N 0 1 381.375 3.753 20 10 GHCDMN COc1cccc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1O ZINC000770313424 874592560 /nfs/dbraw/zinc/59/25/60/874592560.db2.gz VQOKRFJNTKHXGI-QGZVFWFLSA-N 0 1 380.444 3.541 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccncc1Cl ZINC000858099930 882845010 /nfs/dbraw/zinc/84/50/10/882845010.db2.gz DBNXHHPSMBVWAR-UHFFFAOYSA-N 0 1 385.817 3.880 20 10 GHCDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378097 874618910 /nfs/dbraw/zinc/61/89/10/874618910.db2.gz GRVMBTIQEJBFIZ-SMDDNHRTSA-N 0 1 399.875 3.831 20 10 GHCDMN COc1cccc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)c1 ZINC000858122412 882862067 /nfs/dbraw/zinc/86/20/67/882862067.db2.gz MQWSQVQHDHFFHH-ZDUSSCGKSA-N 0 1 377.282 3.532 20 10 GHCDMN O=C(CCCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000770790425 874871803 /nfs/dbraw/zinc/87/18/03/874871803.db2.gz FJTQCJIMDNWJNO-CQSZACIVSA-N 0 1 378.822 3.859 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000858140203 882876337 /nfs/dbraw/zinc/87/63/37/882876337.db2.gz CYKWEXUAJWYEOU-UHFFFAOYSA-N 0 1 382.327 3.544 20 10 GHCDMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000771055337 875013073 /nfs/dbraw/zinc/01/30/73/875013073.db2.gz BOSGGVXBAFCIGF-DNVCBOLYSA-N 0 1 387.911 3.715 20 10 GHCDMN COCCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000771057523 875013837 /nfs/dbraw/zinc/01/38/37/875013837.db2.gz KBAXMXZJENJZBZ-SFHVURJKSA-N 0 1 394.943 3.723 20 10 GHCDMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(F)c1 ZINC000771059415 875014353 /nfs/dbraw/zinc/01/43/53/875014353.db2.gz QWFOHWBGFBWKGG-INIZCTEOSA-N 0 1 376.859 3.888 20 10 GHCDMN Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000771069140 875019384 /nfs/dbraw/zinc/01/93/84/875019384.db2.gz XAKCWNRJLOYVHE-WMLDXEAASA-N 0 1 376.884 3.831 20 10 GHCDMN Cc1ccc([C@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000771069141 875019830 /nfs/dbraw/zinc/01/98/30/875019830.db2.gz XAKCWNRJLOYVHE-YOEHRIQHSA-N 0 1 376.884 3.831 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC001199823807 875211103 /nfs/dbraw/zinc/21/11/03/875211103.db2.gz WDDNEJDZSLWPOR-SNVBAGLBSA-N 0 1 376.667 3.882 20 10 GHCDMN CN1CCN(c2ccc([C@@H]3Nc4c5ccccc5sc4C(=O)N3)cc2)CC1 ZINC000771518187 875308470 /nfs/dbraw/zinc/30/84/70/875308470.db2.gz OLZUDCLUDJSMIC-HXUWFJFHSA-N 0 1 378.501 3.507 20 10 GHCDMN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)CCCO2 ZINC000771595547 875337428 /nfs/dbraw/zinc/33/74/28/875337428.db2.gz KMNCIWLAMAWSSH-UHFFFAOYSA-N 0 1 378.500 3.997 20 10 GHCDMN Cn1c(=O)oc2cc(NCc3cc(Cl)cc(Br)c3O)ccc21 ZINC001201210259 875562819 /nfs/dbraw/zinc/56/28/19/875562819.db2.gz SVQAQBXAQZCVCB-UHFFFAOYSA-N 0 1 383.629 3.865 20 10 GHCDMN Cc1cnn(-c2cc[nH+]cc2NCc2cc(Br)cc(F)c2[O-])c1 ZINC001201802651 875869954 /nfs/dbraw/zinc/86/99/54/875869954.db2.gz BCZBXHIEZUFYGG-UHFFFAOYSA-N 0 1 377.217 3.795 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC000785522751 876085338 /nfs/dbraw/zinc/08/53/38/876085338.db2.gz UXRYCIUGYHOLDD-UHFFFAOYSA-N 0 1 395.381 3.740 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(Br)ccc1[O-] ZINC000787010435 877078987 /nfs/dbraw/zinc/07/89/87/877078987.db2.gz NBNSDSOWHQNXOQ-FHGNATFXSA-N 0 1 394.265 3.656 20 10 GHCDMN CC[N@H+](CCOCC(F)(F)C(F)F)Cc1cc(Br)ccc1[O-] ZINC000787254587 877269659 /nfs/dbraw/zinc/26/96/59/877269659.db2.gz DYJRTXTUMMBGLX-UHFFFAOYSA-N 0 1 388.199 3.894 20 10 GHCDMN CC[N@@H+](CCOCC(F)(F)C(F)F)Cc1cc(Br)ccc1[O-] ZINC000787254587 877269675 /nfs/dbraw/zinc/26/96/75/877269675.db2.gz DYJRTXTUMMBGLX-UHFFFAOYSA-N 0 1 388.199 3.894 20 10 GHCDMN COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332086 877318281 /nfs/dbraw/zinc/31/82/81/877318281.db2.gz LGRJGUCXMDOWQA-MRXNPFEDSA-N 0 1 380.828 3.782 20 10 GHCDMN COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000787332086 877318298 /nfs/dbraw/zinc/31/82/98/877318298.db2.gz LGRJGUCXMDOWQA-MRXNPFEDSA-N 0 1 380.828 3.782 20 10 GHCDMN COCc1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1 ZINC000285262934 912226047 /nfs/dbraw/zinc/22/60/47/912226047.db2.gz XNCVYWILBWEVTM-UHFFFAOYSA-N 0 1 379.478 3.780 20 10 GHCDMN COC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000180234330 878685606 /nfs/dbraw/zinc/68/56/06/878685606.db2.gz CUYMGNUJKLJENW-XOBRGWDASA-N 0 1 394.437 3.979 20 10 GHCDMN COc1cc2ccnc(N(C)Cc3ccc(N4CCOCC4)cc3)c2cc1OC ZINC000853096089 878812159 /nfs/dbraw/zinc/81/21/59/878812159.db2.gz NGAWPHZEYWOOQQ-UHFFFAOYSA-N 0 1 393.487 3.725 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCC[C@H]1O ZINC001203563862 912404065 /nfs/dbraw/zinc/40/40/65/912404065.db2.gz AHRANBYZCWPQOR-NOZJJQNGSA-N 0 1 393.119 3.510 20 10 GHCDMN CN(C[C@@H]1C[C@H](F)CN1Cc1c(O)ccc2ccncc21)C(=O)OC(C)(C)C ZINC000789488865 879009938 /nfs/dbraw/zinc/00/99/38/879009938.db2.gz TWDOPUWPTCMHHT-HOTGVXAUSA-N 0 1 389.471 3.720 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789596629 879104308 /nfs/dbraw/zinc/10/43/08/879104308.db2.gz WTLBKHWREKDPSA-HSZRJFAPSA-N 0 1 377.532 3.910 20 10 GHCDMN O=C(Nc1nnc(SCc2ccccc2)s1)c1c(F)ccc(O)c1O ZINC000789959711 879365745 /nfs/dbraw/zinc/36/57/45/879365745.db2.gz XWHUHQXUGOPFGE-UHFFFAOYSA-N 0 1 377.422 3.633 20 10 GHCDMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776747647 879882799 /nfs/dbraw/zinc/88/27/99/879882799.db2.gz IOPANFWBKYSVIH-UHFFFAOYSA-N 0 1 386.267 3.663 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170220 880960647 /nfs/dbraw/zinc/96/06/47/880960647.db2.gz QCYQTQWIONNHGW-LLVKDONJSA-N 0 1 396.812 3.808 20 10 GHCDMN COC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccc(OC)c(Cl)c1 ZINC000792175148 880965214 /nfs/dbraw/zinc/96/52/14/880965214.db2.gz QZOZCAYEWWABQZ-INIZCTEOSA-N 0 1 388.222 3.851 20 10 GHCDMN CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000858495713 883149625 /nfs/dbraw/zinc/14/96/25/883149625.db2.gz IWEUUBRTHKTJQV-GFCCVEGCSA-N 0 1 377.282 3.988 20 10 GHCDMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000858543296 883186175 /nfs/dbraw/zinc/18/61/75/883186175.db2.gz RSMXRAYTGHIVGB-KRWDZBQOSA-N 0 1 397.544 3.853 20 10 GHCDMN COc1ccc(Cl)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135855 883614974 /nfs/dbraw/zinc/61/49/74/883614974.db2.gz VBZHXRZMVDXUCY-UHFFFAOYSA-N 0 1 396.679 3.840 20 10 GHCDMN O=S(=O)(Cc1ccccc1Cl)NCc1cc(Cl)cc(Cl)c1O ZINC000805135149 883616647 /nfs/dbraw/zinc/61/66/47/883616647.db2.gz HDDLCCKHOPZFLB-UHFFFAOYSA-N 0 1 380.680 3.972 20 10 GHCDMN C[C@@H](NCc1ccncc1Br)c1ccc(N2CCOCC2)cc1 ZINC000859229810 883681472 /nfs/dbraw/zinc/68/14/72/883681472.db2.gz MMBNMJFAVHNLMH-CQSZACIVSA-N 0 1 376.298 3.532 20 10 GHCDMN COc1ccc(COCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805252149 883691415 /nfs/dbraw/zinc/69/14/15/883691415.db2.gz AQVVQSFIRJORLE-UHFFFAOYSA-N 0 1 399.274 3.724 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1COC2(CCCCC2)O1 ZINC000805261628 883725422 /nfs/dbraw/zinc/72/54/22/883725422.db2.gz IGQDRLMAYWSQKJ-ZDUSSCGKSA-N 0 1 389.279 3.574 20 10 GHCDMN COc1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000187527863 883799826 /nfs/dbraw/zinc/79/98/26/883799826.db2.gz OWXZJPOUGGIESQ-GOSISDBHSA-N 0 1 375.831 3.806 20 10 GHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(F)cncc1F ZINC000805863012 884157146 /nfs/dbraw/zinc/15/71/46/884157146.db2.gz PKRIYFQABFLYBA-ZETCQYMHSA-N 0 1 376.190 3.933 20 10 GHCDMN COC(=O)c1csc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806349899 884609598 /nfs/dbraw/zinc/60/95/98/884609598.db2.gz WFYGDHKBLOZVMB-UHFFFAOYSA-N 0 1 375.233 3.869 20 10 GHCDMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000761982463 885086038 /nfs/dbraw/zinc/08/60/38/885086038.db2.gz LRWNCEXSNSXMPN-HNNXBMFYSA-N 0 1 394.302 3.797 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(C)n1-c1ccccc1C ZINC000914879405 885100284 /nfs/dbraw/zinc/10/02/84/885100284.db2.gz DYRAAZQFRWVPDG-NRFANRHFSA-N 0 1 395.547 3.729 20 10 GHCDMN O=C(NCc1ccc2c(n1)CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000807185125 885306907 /nfs/dbraw/zinc/30/69/07/885306907.db2.gz ZUTDFFRGEIFOAB-UHFFFAOYSA-N 0 1 380.275 3.972 20 10 GHCDMN Cc1nn(C)c2nc(C)cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)c12 ZINC000807840194 885771492 /nfs/dbraw/zinc/77/14/92/885771492.db2.gz UDVUIMCGZTWGET-UHFFFAOYSA-N 0 1 379.247 3.528 20 10 GHCDMN CC(=O)N[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000807835281 885799450 /nfs/dbraw/zinc/79/94/50/885799450.db2.gz CUQOZKTVHAXQST-MRXNPFEDSA-N 0 1 381.259 3.583 20 10 GHCDMN CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(C)cc1 ZINC000807835975 885800766 /nfs/dbraw/zinc/80/07/66/885800766.db2.gz OHSDDHKWRWJQSB-KRWDZBQOSA-N 0 1 395.286 3.891 20 10 GHCDMN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807837932 885804403 /nfs/dbraw/zinc/80/44/03/885804403.db2.gz GZYKCULJZGLWJH-UHFFFAOYSA-N 0 1 392.242 3.829 20 10 GHCDMN CC(C)(C)OC(=O)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862221842 886218396 /nfs/dbraw/zinc/21/83/96/886218396.db2.gz IIFGEDWZBYRBIW-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN CC(C)(C)OC(=O)NC1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862221842 886218417 /nfs/dbraw/zinc/21/84/17/886218417.db2.gz IIFGEDWZBYRBIW-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000862245213 886248081 /nfs/dbraw/zinc/24/80/81/886248081.db2.gz KIQDIMJHRKHCMF-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CC[C@H]1NC(=O)OC(C)(C)C ZINC000862245213 886248098 /nfs/dbraw/zinc/24/80/98/886248098.db2.gz KIQDIMJHRKHCMF-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862354710 886313899 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388.851 3.958 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000809712833 887733867 /nfs/dbraw/zinc/73/38/67/887733867.db2.gz VIERWBLZBAJIQO-UHFFFAOYSA-N 0 1 376.229 3.974 20 10 GHCDMN CCN(CC(=O)N1CCCCCC1)Cc1cc(Br)cc(C)c1O ZINC000809713733 887735686 /nfs/dbraw/zinc/73/56/86/887735686.db2.gz KPLNPZGGWXYFJU-UHFFFAOYSA-N 0 1 383.330 3.688 20 10 GHCDMN COc1c([O-])c(C[N@H+](CCc2ccccc2)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000809735922 887768962 /nfs/dbraw/zinc/76/89/62/887768962.db2.gz XTWZEXRBSMQCEX-UHFFFAOYSA-N 0 1 393.443 3.949 20 10 GHCDMN COc1c([O-])c(C[N@@H+](CCc2ccccc2)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000809735922 887768967 /nfs/dbraw/zinc/76/89/67/887768967.db2.gz XTWZEXRBSMQCEX-UHFFFAOYSA-N 0 1 393.443 3.949 20 10 GHCDMN C[N@@H+](CCn1cc(Br)cn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809792653 887846243 /nfs/dbraw/zinc/84/62/43/887846243.db2.gz CRCVRBNDIKUEGI-UHFFFAOYSA-N 0 1 379.085 3.790 20 10 GHCDMN CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228186 888303381 /nfs/dbraw/zinc/30/33/81/888303381.db2.gz RCDNZPKBSUTAQQ-NJAFHUGGSA-N 0 1 383.410 3.936 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211164 888321316 /nfs/dbraw/zinc/32/13/16/888321316.db2.gz NYJRXDSLKYQNDE-HOCLYGCPSA-N 0 1 380.414 3.911 20 10 GHCDMN Fc1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000120534834 888324824 /nfs/dbraw/zinc/32/48/24/888324824.db2.gz QVBZAPZQYSHPEL-SFHVURJKSA-N 0 1 390.524 3.905 20 10 GHCDMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000811704168 889878008 /nfs/dbraw/zinc/87/80/08/889878008.db2.gz BAAIWVFOUINZGV-UHFFFAOYSA-N 0 1 385.869 3.780 20 10 GHCDMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811704483 889878031 /nfs/dbraw/zinc/87/80/31/889878031.db2.gz HFMLGZLKJNJINC-UHFFFAOYSA-N 0 1 386.473 3.975 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000916838620 890278055 /nfs/dbraw/zinc/27/80/55/890278055.db2.gz YTYDAOOSWMFVBH-UHFFFAOYSA-N 0 1 385.464 3.892 20 10 GHCDMN COc1ccc(F)cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000812746914 890930846 /nfs/dbraw/zinc/93/08/46/890930846.db2.gz LRCDLWDWNUBERG-HUUCEWRRSA-N 0 1 376.447 3.877 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C4CCCC4)CC3)c2C)cc1 ZINC000106100627 891301224 /nfs/dbraw/zinc/30/12/24/891301224.db2.gz SSANSBFUQWBKGA-UHFFFAOYSA-N 0 1 381.520 3.803 20 10 GHCDMN COc1ccc([C@H](C)NCc2ccc(OC)c(Cn3cccn3)c2)c(OC)c1 ZINC000873142965 891484011 /nfs/dbraw/zinc/48/40/11/891484011.db2.gz GVOCSGHKHPAJBS-INIZCTEOSA-N 0 1 381.476 3.808 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000033335902 892042943 /nfs/dbraw/zinc/04/29/43/892042943.db2.gz LBUSALIXDQYYMD-ZHZULCJRSA-N 0 1 388.398 3.866 20 10 GHCDMN CSC1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC001170765560 893183977 /nfs/dbraw/zinc/18/39/77/893183977.db2.gz BOHYJWPLBNESEL-UHFFFAOYSA-N 0 1 385.577 3.762 20 10 GHCDMN Cc1nc([C@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1 ZINC000288624934 913822330 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10 GHCDMN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000131085538 897320230 /nfs/dbraw/zinc/32/02/30/897320230.db2.gz LHPAPKGYZWGEOM-UHFFFAOYSA-N 0 1 394.500 3.845 20 10 GHCDMN CC(C)(C)S(=O)(=O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796302616 914246168 /nfs/dbraw/zinc/24/61/68/914246168.db2.gz ZTECGTWKVCZWEI-UHFFFAOYSA-N 0 1 386.561 3.552 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000824556066 899686135 /nfs/dbraw/zinc/68/61/35/899686135.db2.gz LPUNJISVDUHECP-UHFFFAOYSA-N 0 1 376.859 3.888 20 10 GHCDMN O=C(N1C[C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824830508 899852194 /nfs/dbraw/zinc/85/21/94/899852194.db2.gz TZXIGUHHIURYJE-MWLCHTKSSA-N 0 1 397.224 3.542 20 10 GHCDMN O=C1CCCN1Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825131592 899997940 /nfs/dbraw/zinc/99/79/40/899997940.db2.gz QBDNGXKLFVNVBK-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000825167965 900007314 /nfs/dbraw/zinc/00/73/14/900007314.db2.gz AFLWXJSCSAEKPN-SFHVURJKSA-N 0 1 386.492 3.661 20 10 GHCDMN COc1ccc(CC[N@H+](C)Cc2cc(Br)ccc2[O-])cc1OC ZINC001203636246 914466084 /nfs/dbraw/zinc/46/60/84/914466084.db2.gz RCBPUYMGNSBWKW-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN COc1ccc(CC[N@@H+](C)Cc2cc(Br)ccc2[O-])cc1OC ZINC001203636246 914466092 /nfs/dbraw/zinc/46/60/92/914466092.db2.gz RCBPUYMGNSBWKW-UHFFFAOYSA-N 0 1 380.282 3.846 20 10 GHCDMN Oc1ccccc1CN(Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CCCO1 ZINC000137266100 900846587 /nfs/dbraw/zinc/84/65/87/900846587.db2.gz STZYKVFBNDTMJK-KRWDZBQOSA-N 0 1 396.409 3.910 20 10 GHCDMN O=S(=O)(Nc1ccc(O)c2ccccc12)c1cncc(Br)c1 ZINC001186411524 914509431 /nfs/dbraw/zinc/50/94/31/914509431.db2.gz CVUIHHYJHZHHPV-UHFFFAOYSA-N 0 1 379.235 3.504 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CN[C@H](c3ncc[nH]3)C3CCCCC3)cc2)CC1 ZINC000886749408 901253474 /nfs/dbraw/zinc/25/34/74/901253474.db2.gz RXUSOYODXZVZNY-NRFANRHFSA-N 0 1 395.551 3.523 20 10 GHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001144299541 901649609 /nfs/dbraw/zinc/64/96/09/901649609.db2.gz ABAUXXXTYPUHIP-CQSZACIVSA-N 0 1 381.245 3.732 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])cc(OC)c1 ZINC001144299725 901651668 /nfs/dbraw/zinc/65/16/68/901651668.db2.gz HKPJPUMSIXNYLE-UHFFFAOYSA-N 0 1 384.245 3.943 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001144307871 901698274 /nfs/dbraw/zinc/69/82/74/901698274.db2.gz JXAHWHDMDSFJKF-HNNXBMFYSA-N 0 1 380.257 3.737 20 10 GHCDMN CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000845969939 902552514 /nfs/dbraw/zinc/55/25/14/902552514.db2.gz JAEOTVASWNEULH-UHFFFAOYSA-N 0 1 399.329 3.938 20 10 GHCDMN COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846054398 902640951 /nfs/dbraw/zinc/64/09/51/902640951.db2.gz ANYZDOLALRTSLE-LBPRGKRZSA-N 0 1 378.856 3.570 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846215086 902790476 /nfs/dbraw/zinc/79/04/76/902790476.db2.gz KCTPPTBUURSYSB-HZPDHXFCSA-N 0 1 391.309 3.972 20 10 GHCDMN COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC001203642472 914680853 /nfs/dbraw/zinc/68/08/53/914680853.db2.gz JCZWGJDPVUBIFS-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1[O-] ZINC001203642472 914680857 /nfs/dbraw/zinc/68/08/57/914680857.db2.gz JCZWGJDPVUBIFS-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000773267394 904637517 /nfs/dbraw/zinc/63/75/17/904637517.db2.gz OPGLVCGINGFZJI-PXNSSMCTSA-N 0 1 384.524 3.851 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779162625 904959663 /nfs/dbraw/zinc/95/96/63/904959663.db2.gz OAAQLPNSPTWLQC-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)CN1C(=O)OC(C)(C)C ZINC001173078875 906177566 /nfs/dbraw/zinc/17/75/66/906177566.db2.gz UTLBZONBBMIURV-YOEHRIQHSA-N 0 1 376.497 3.634 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182572425 907231692 /nfs/dbraw/zinc/23/16/92/907231692.db2.gz SVKUEIAHOXPLDN-JOCHJYFZSA-N 0 1 390.474 3.651 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Br)ccc1[O-] ZINC000185262977 907742580 /nfs/dbraw/zinc/74/25/80/907742580.db2.gz QKTDPIJUDVGAIO-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nccc3ccncc32)C1 ZINC000801695660 921393430 /nfs/dbraw/zinc/39/34/30/921393430.db2.gz GBLROKGMPKRCKV-UHFFFAOYSA-N 0 1 399.498 3.990 20 10 GHCDMN COc1nscc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001176769002 908259343 /nfs/dbraw/zinc/25/93/43/908259343.db2.gz UVIXEDVEMKLGGP-UHFFFAOYSA-N 0 1 384.505 3.512 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000193991138 908906761 /nfs/dbraw/zinc/90/67/61/908906761.db2.gz RGKPUWUNNABDHQ-HXUWFJFHSA-N 0 1 392.902 3.918 20 10 GHCDMN COc1c(C)cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1C ZINC000194754198 908920271 /nfs/dbraw/zinc/92/02/71/908920271.db2.gz OWOKSXZSPCQDIQ-LFIBNONCSA-N 0 1 376.547 3.607 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000299599432 921499141 /nfs/dbraw/zinc/49/91/41/921499141.db2.gz QDMRYLAWECDPFR-NSHDSACASA-N 0 1 375.266 3.890 20 10 GHCDMN COCCOc1ccccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268843294 910041091 /nfs/dbraw/zinc/04/10/91/910041091.db2.gz NZRMBLYTFGWZIL-KRWDZBQOSA-N 0 1 388.483 3.538 20 10 GHCDMN CCc1nc([C@H]2CCCCN2Cc2cc(Br)cc(F)c2O)no1 ZINC001180253542 910048864 /nfs/dbraw/zinc/04/88/64/910048864.db2.gz PFEBHYOVPZLVAO-CYBMUJFWSA-N 0 1 384.249 3.966 20 10 GHCDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001181994832 911115041 /nfs/dbraw/zinc/11/50/41/911115041.db2.gz ARXSPDYWEZYCKE-LJQANCHMSA-N 0 1 381.480 3.726 20 10 GHCDMN COc1cccc([C@H]2CN(Cc3cccc(Br)c3O)CCO2)c1 ZINC000093079989 912051024 /nfs/dbraw/zinc/05/10/24/912051024.db2.gz MSOPLAOUDDXOSP-QGZVFWFLSA-N 0 1 378.266 3.737 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000775143639 915505364 /nfs/dbraw/zinc/50/53/64/915505364.db2.gz AFKKUODHMSHRHZ-IINYFYTJSA-N 0 1 382.220 3.598 20 10 GHCDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])nc(N2CCCC2)n1 ZINC000293879861 916442223 /nfs/dbraw/zinc/44/22/23/916442223.db2.gz YQXKQXXFYXXMGD-CYBMUJFWSA-N 0 1 391.313 3.704 20 10 GHCDMN COC1CCN(c2ccc(CN[C@H](C[S@@](C)=O)c3ccccc3)cc2)CC1 ZINC000294903760 917043564 /nfs/dbraw/zinc/04/35/64/917043564.db2.gz FCZNQOIEFKHWFQ-AJTFRIOCSA-N 0 1 386.561 3.511 20 10 GHCDMN CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775432758 917742708 /nfs/dbraw/zinc/74/27/08/917742708.db2.gz LNTWHCYPHQBAHE-SFHVURJKSA-N 0 1 395.551 3.777 20 10 GHCDMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCCc2cc(O)c(O)cc2C1 ZINC001191370894 917975015 /nfs/dbraw/zinc/97/50/15/917975015.db2.gz NGSVPWYYIBJBBT-UHFFFAOYSA-N 0 1 383.835 3.730 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1cc(Cl)ccc1[O-] ZINC000775510264 918444087 /nfs/dbraw/zinc/44/40/87/918444087.db2.gz ZDJYNFRZVLBYJP-DZFGPLHGSA-N 0 1 388.939 3.969 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800346618 919943218 /nfs/dbraw/zinc/94/32/18/919943218.db2.gz AJHPVDXSTZFJRL-UHFFFAOYSA-N 0 1 399.329 3.844 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800346618 919943243 /nfs/dbraw/zinc/94/32/43/919943243.db2.gz AJHPVDXSTZFJRL-UHFFFAOYSA-N 0 1 399.329 3.844 20 10 GHCDMN C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000800502969 920198295 /nfs/dbraw/zinc/19/82/95/920198295.db2.gz JROGAASURBKRAY-QGZVFWFLSA-N 0 1 383.513 3.854 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(-c4cnn(C)c4)s3)CC2)cc1F ZINC000802641913 922286950 /nfs/dbraw/zinc/28/69/50/922286950.db2.gz KBWCIKINPYFWDX-UHFFFAOYSA-N 0 1 386.496 3.619 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802781724 922397648 /nfs/dbraw/zinc/39/76/48/922397648.db2.gz FCWHQQMSOLQPQS-HSALFYBXSA-N 0 1 384.907 3.930 20 10 GHCDMN CC(C)(C)OCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000802782548 922399568 /nfs/dbraw/zinc/39/95/68/922399568.db2.gz XELQGCIXSQEXJJ-QGZVFWFLSA-N 0 1 382.932 3.722 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CCSCC2 ZINC000827095868 924738043 /nfs/dbraw/zinc/73/80/43/924738043.db2.gz MRIZXHPVUDTBQW-IAGOWNOFSA-N 0 1 394.968 3.660 20 10 GHCDMN Cc1cc(C(=O)CN(C(C)C)C2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749844672 927308940 /nfs/dbraw/zinc/30/89/40/927308940.db2.gz MASFFWFTQPRGEU-UHFFFAOYSA-N 0 1 398.503 3.895 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1O ZINC000750819597 927871865 /nfs/dbraw/zinc/87/18/65/927871865.db2.gz RLFMOKLKTXJLSW-UHFFFAOYSA-N 0 1 396.462 3.535 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752597549 928915160 /nfs/dbraw/zinc/91/51/60/928915160.db2.gz XODBMICYZSPYHL-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597549 928915168 /nfs/dbraw/zinc/91/51/68/928915168.db2.gz XODBMICYZSPYHL-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ccncc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000752597549 928915174 /nfs/dbraw/zinc/91/51/74/928915174.db2.gz XODBMICYZSPYHL-QTWIXLPOSA-N 0 1 385.895 3.543 20 10 GHCDMN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108546 929646894 /nfs/dbraw/zinc/64/68/94/929646894.db2.gz FSFHNKXZNIRDFO-RDTXWAMCSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108546 929646897 /nfs/dbraw/zinc/64/68/97/929646897.db2.gz FSFHNKXZNIRDFO-RDTXWAMCSA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108546 929646901 /nfs/dbraw/zinc/64/69/01/929646901.db2.gz FSFHNKXZNIRDFO-RDTXWAMCSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000757637624 929754541 /nfs/dbraw/zinc/75/45/41/929754541.db2.gz IMZUIMOPIXQBDY-PXAZEXFGSA-N 0 1 380.282 3.938 20 10 GHCDMN COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])cc1 ZINC000781895631 931015494 /nfs/dbraw/zinc/01/54/94/931015494.db2.gz DGPBGNZREIAWAU-UHFFFAOYSA-N 0 1 378.266 3.882 20 10 GHCDMN CO[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000783011643 931384600 /nfs/dbraw/zinc/38/46/00/931384600.db2.gz FWPFHJVPIPDDRW-IBGZPJMESA-N 0 1 398.503 3.549 20 10 GHCDMN Cc1nccnc1[C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000783280359 931481263 /nfs/dbraw/zinc/48/12/63/931481263.db2.gz VMAQPSCZKXSKRX-QFBILLFUSA-N 0 1 399.539 3.768 20 10 GHCDMN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Br)ccc3[O-])CC2)n[nH]1 ZINC000784055897 931768884 /nfs/dbraw/zinc/76/88/84/931768884.db2.gz GXRQUZXXJKISJZ-GFCCVEGCSA-N 0 1 379.302 3.506 20 10 GHCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000777565169 931826250 /nfs/dbraw/zinc/82/62/50/931826250.db2.gz QDSOLMYJGCKPRA-LBPRGKRZSA-N 0 1 396.409 3.518 20 10 GHCDMN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000777565169 931826252 /nfs/dbraw/zinc/82/62/52/931826252.db2.gz QDSOLMYJGCKPRA-LBPRGKRZSA-N 0 1 396.409 3.518 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000797135316 932197606 /nfs/dbraw/zinc/19/76/06/932197606.db2.gz XZPWKGYYPMOYNA-VERVWZFWSA-N 0 1 382.323 3.884 20 10 GHCDMN CCOc1ccc(N2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)cc1 ZINC001116421296 933548484 /nfs/dbraw/zinc/54/84/84/933548484.db2.gz NLDLUAHCNOKBHA-UHFFFAOYSA-N 0 1 382.508 3.819 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@H]3OCCC[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC001117756801 934007750 /nfs/dbraw/zinc/00/77/50/934007750.db2.gz KPUVENBRVMBLNU-OXJNMPFZSA-N 0 1 387.911 3.826 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828415325 935628607 /nfs/dbraw/zinc/62/86/07/935628607.db2.gz KZRBXJQIGDFIQM-QRWLVFNGSA-N 0 1 395.482 3.591 20 10 GHCDMN CC(=O)Oc1cccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001138046725 935951118 /nfs/dbraw/zinc/95/11/18/935951118.db2.gz XVRPFVGULSMILI-UHFFFAOYSA-N 0 1 394.393 3.833 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001203564046 1027436717 /nfs/dbraw/zinc/43/67/17/1027436717.db2.gz FCRLXQRAPHWZRT-UWVGGRQHSA-N 0 1 385.046 3.799 20 10 GHCDMN CN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598318260 991312588 /nfs/dbraw/zinc/31/25/88/991312588.db2.gz SXZLNPHEKZOWBZ-SFHVURJKSA-N 0 1 378.394 3.955 20 10 GHCDMN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000927039119 1017343056 /nfs/dbraw/zinc/34/30/56/1017343056.db2.gz MNCUQIVURBMBAR-VYHDIPPYSA-N 0 1 377.428 3.560 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3ccncc3)c1C2=O ZINC001227993621 1032729366 /nfs/dbraw/zinc/72/93/66/1032729366.db2.gz DEGPTWLMFFVUCG-LBPRGKRZSA-N 0 1 375.380 3.717 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(C)nc4ccsc43)CC2)cc1 ZINC001156256858 1032945674 /nfs/dbraw/zinc/94/56/74/1032945674.db2.gz KLPIOGPPNJFFFE-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncc(F)cc3Cl)CC2)cc1 ZINC001156261327 1032947717 /nfs/dbraw/zinc/94/77/17/1032947717.db2.gz SLWSRLUGPQDSGH-UHFFFAOYSA-N 0 1 378.879 3.507 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001140339675 1021447138 /nfs/dbraw/zinc/44/71/38/1021447138.db2.gz LAQLHWSFMVYAKH-CQSZACIVSA-N 0 1 392.858 3.782 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000802655581 1021516443 /nfs/dbraw/zinc/51/64/43/1021516443.db2.gz AYPFXZZHELKIOZ-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2ccccc2c1[O-] ZINC000834910168 1021671793 /nfs/dbraw/zinc/67/17/93/1021671793.db2.gz FXWQLSYUAVLUDO-RDJZCZTQSA-N 0 1 386.492 3.832 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140462853 1021754209 /nfs/dbraw/zinc/75/42/09/1021754209.db2.gz MNSHBGYJUYSNIP-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140462853 1021754226 /nfs/dbraw/zinc/75/42/26/1021754226.db2.gz MNSHBGYJUYSNIP-HXUWFJFHSA-N 0 1 396.915 3.648 20 10 GHCDMN O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464752 1021757914 /nfs/dbraw/zinc/75/79/14/1021757914.db2.gz AMFQTZLNCSSJBD-MRXNPFEDSA-N 0 1 376.928 3.954 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1ccc3ccccc3c1[O-])O2 ZINC000827334568 1022052978 /nfs/dbraw/zinc/05/29/78/1022052978.db2.gz CWMQNJLZZGVADI-SFHVURJKSA-N 0 1 398.503 3.804 20 10 GHCDMN COC[C@@H]1CN(Cc2ccc(O)c(C)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001140744019 1022403900 /nfs/dbraw/zinc/40/39/00/1022403900.db2.gz IEXAOQXHUWTFEO-IBGZPJMESA-N 0 1 385.508 3.539 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000836447397 1022977962 /nfs/dbraw/zinc/97/79/62/1022977962.db2.gz XSNJECIAVIBVCU-QHCPKHFHSA-N 0 1 394.515 3.764 20 10 GHCDMN CC(C)(C)OC(=O)NCC1(C)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077974 1023443743 /nfs/dbraw/zinc/44/37/43/1023443743.db2.gz HECVQJCZCYKDNH-UHFFFAOYSA-N 0 1 385.552 3.732 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000756121554 1023528438 /nfs/dbraw/zinc/52/84/38/1023528438.db2.gz LYHHTPMWPKULTI-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000756121554 1023528440 /nfs/dbraw/zinc/52/84/40/1023528440.db2.gz LYHHTPMWPKULTI-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(Cl)ccc1[O-] ZINC000756455594 1023660677 /nfs/dbraw/zinc/66/06/77/1023660677.db2.gz AHUBDGIIWQLCNO-NSHDSACASA-N 0 1 397.700 3.889 20 10 GHCDMN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756538528 1023704942 /nfs/dbraw/zinc/70/49/42/1023704942.db2.gz CFLZOEUTGKAZKE-SMDDNHRTSA-N 0 1 378.266 3.818 20 10 GHCDMN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756538649 1023705274 /nfs/dbraw/zinc/70/52/74/1023705274.db2.gz DOLFDOOGERIZHX-BXUZGUMPSA-N 0 1 378.266 3.818 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(C(F)F)nc4ccccc43)cc2)CC1 ZINC001156658869 1033160354 /nfs/dbraw/zinc/16/03/54/1033160354.db2.gz HAUQRZZULVGYBT-UHFFFAOYSA-N 0 1 383.446 3.931 20 10 GHCDMN Cc1nc2cc(Cl)ccc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156657489 1033160980 /nfs/dbraw/zinc/16/09/80/1033160980.db2.gz LUFIMKVQNMWEIR-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806248 1023822032 /nfs/dbraw/zinc/82/20/32/1023822032.db2.gz YQDYLHZFRBVVHF-INIZCTEOSA-N 0 1 384.480 3.611 20 10 GHCDMN O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(CF)cc1 ZINC000830543764 1023978031 /nfs/dbraw/zinc/97/80/31/1023978031.db2.gz DUZRDSIFNNQESJ-GOSISDBHSA-N 0 1 376.859 3.910 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(CF)cc1 ZINC000830543764 1023978033 /nfs/dbraw/zinc/97/80/33/1023978033.db2.gz DUZRDSIFNNQESJ-GOSISDBHSA-N 0 1 376.859 3.910 20 10 GHCDMN Cc1csc([C@@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000830545023 1023979179 /nfs/dbraw/zinc/97/91/79/1023979179.db2.gz VSVCKWGDZXZHCS-BBRMVZONSA-N 0 1 393.940 3.695 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC001138131061 1024185676 /nfs/dbraw/zinc/18/56/76/1024185676.db2.gz OFXJWWRALQZBQA-GXTWGEPZSA-N 0 1 392.393 3.809 20 10 GHCDMN Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCN(Cc4ccccc4)C3)cs2)cc1 ZINC000837631902 1024598669 /nfs/dbraw/zinc/59/86/69/1024598669.db2.gz ZZQMNJLIFFFDAE-LJQANCHMSA-N 0 1 393.512 3.747 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CN1CCc2nc(Cl)ncc2C1 ZINC001141373033 1024760912 /nfs/dbraw/zinc/76/09/12/1024760912.db2.gz JUMCEVZRVJUFCZ-UHFFFAOYSA-N 0 1 389.080 3.810 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141373210 1024762807 /nfs/dbraw/zinc/76/28/07/1024762807.db2.gz RWRNXYODEAFEJL-JTQLQIEISA-N 0 1 390.705 3.972 20 10 GHCDMN CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374481 1024767427 /nfs/dbraw/zinc/76/74/27/1024767427.db2.gz JOPOITCRQYQEGS-LLVKDONJSA-N 0 1 390.705 3.973 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138392106 1024768795 /nfs/dbraw/zinc/76/87/95/1024768795.db2.gz QMEMDAQOIRPCPI-APWZRJJASA-N 0 1 391.556 3.886 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC(Oc3cc(C)ncn3)CC2)c(OC)c1 ZINC001138392139 1024768955 /nfs/dbraw/zinc/76/89/55/1024768955.db2.gz RNCMJMVUCDBCFL-UHFFFAOYSA-N 0 1 384.524 3.683 20 10 GHCDMN COc1cccc([C@@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC001138499793 1024933213 /nfs/dbraw/zinc/93/32/13/1024933213.db2.gz JQYBAFDOAMUAAE-QFIPXVFZSA-N 0 1 384.545 3.822 20 10 GHCDMN FC1(F)C[C@]12CCN(Cc1ccc(N3CCOCC3)c(Br)c1)C2 ZINC001138679159 1025204520 /nfs/dbraw/zinc/20/45/20/1025204520.db2.gz SCXSRMZTJMOINJ-INIZCTEOSA-N 0 1 387.268 3.517 20 10 GHCDMN FC1(F)C[C@@]12CCN(Cc1ccc(N3CCOCC3)c(Br)c1)C2 ZINC001138679160 1025204736 /nfs/dbraw/zinc/20/47/36/1025204736.db2.gz SCXSRMZTJMOINJ-MRXNPFEDSA-N 0 1 387.268 3.517 20 10 GHCDMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(Br)c1O ZINC000839130738 1025624715 /nfs/dbraw/zinc/62/47/15/1025624715.db2.gz ARDXCEMTMHIWFY-PHIMTYICSA-N 0 1 389.087 3.613 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001139129631 1025941960 /nfs/dbraw/zinc/94/19/60/1025941960.db2.gz BOQDMMWACHHFHX-GOSISDBHSA-N 0 1 379.456 3.988 20 10 GHCDMN CN1CCN(c2ccc(CN3CCOC[C@@H]3c3ccccc3Cl)cc2)CC1 ZINC001139410915 1026281511 /nfs/dbraw/zinc/28/15/11/1026281511.db2.gz LRXKKZMKIZTGDD-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN CCOc1ccc(C)cc1CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001139607273 1026471691 /nfs/dbraw/zinc/47/16/91/1026471691.db2.gz MXEDEPVYYMZCBP-UHFFFAOYSA-N 0 1 384.520 3.741 20 10 GHCDMN Cc1cc(CN2CCN(Cc3ccncc3)c3ncccc3C2)ccc1N(C)C ZINC001139670810 1026525444 /nfs/dbraw/zinc/52/54/44/1026525444.db2.gz AKRLSBOCHXIDEG-UHFFFAOYSA-N 0 1 387.531 3.873 20 10 GHCDMN Cn1ncc2ccc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc21 ZINC001139910066 1026723431 /nfs/dbraw/zinc/72/34/31/1026723431.db2.gz GRQBROYNCFZSGK-UHFFFAOYSA-N 0 1 390.409 3.794 20 10 GHCDMN Oc1ccc(F)cc1CN1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001140054661 1026833563 /nfs/dbraw/zinc/83/35/63/1026833563.db2.gz VRODMRRSQBIRGE-SIKLNZKXSA-N 0 1 386.467 3.514 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c1 ZINC000840149092 1027279883 /nfs/dbraw/zinc/27/98/83/1027279883.db2.gz DWCQNOPWNCVEMR-GOSISDBHSA-N 0 1 388.552 3.685 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203574414 1027443110 /nfs/dbraw/zinc/44/31/10/1027443110.db2.gz VFAWBDRQDBVRBZ-ZSOGYDGISA-N 0 1 387.307 3.902 20 10 GHCDMN O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575297 1027443471 /nfs/dbraw/zinc/44/34/71/1027443471.db2.gz JNYDARJCXHIFTO-IBGZPJMESA-N 0 1 392.286 3.723 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001203575423 1027444966 /nfs/dbraw/zinc/44/49/66/1027444966.db2.gz NQGNPWTVTSNQID-GJYPPUQNSA-N 0 1 395.286 3.905 20 10 GHCDMN CCOc1cccc(CN2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)c1O ZINC001203608332 1027472598 /nfs/dbraw/zinc/47/25/98/1027472598.db2.gz MECUTIVYIGFFKA-XMMPIXPASA-N 0 1 396.531 3.971 20 10 GHCDMN Cc1cccc(O[C@H]2CCCN(Cc3cc(Br)ccc3O)C2)n1 ZINC001203648748 1027505774 /nfs/dbraw/zinc/50/57/74/1027505774.db2.gz SGDRBHAUDCGZBD-INIZCTEOSA-N 0 1 377.282 3.902 20 10 GHCDMN CC(=O)Nc1ccc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001203930333 1027723263 /nfs/dbraw/zinc/72/32/63/1027723263.db2.gz SFONTGTWVMOMJE-UHFFFAOYSA-N 0 1 393.409 3.866 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(Cl)c1 ZINC000840946294 1027976833 /nfs/dbraw/zinc/97/68/33/1027976833.db2.gz NJKUCBFGICZHBM-GFCCVEGCSA-N 0 1 378.822 3.777 20 10 GHCDMN CC(=O)N(c1nc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)cs1)C1CC1 ZINC000840975260 1028015073 /nfs/dbraw/zinc/01/50/73/1028015073.db2.gz FBCSBLKXFKEAMJ-HNNXBMFYSA-N 0 1 386.565 3.754 20 10 GHCDMN CC(=O)N(c1nc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)cs1)C1CC1 ZINC000840975262 1028015447 /nfs/dbraw/zinc/01/54/47/1028015447.db2.gz FBCSBLKXFKEAMJ-OAHLLOKOSA-N 0 1 386.565 3.754 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000840977489 1028017816 /nfs/dbraw/zinc/01/78/16/1028017816.db2.gz UMSPYWMDYDDVCG-CQSZACIVSA-N 0 1 394.468 3.643 20 10 GHCDMN Cc1nocc1/C=C1\SC(=S)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000841495427 1028695200 /nfs/dbraw/zinc/69/52/00/1028695200.db2.gz HXTOWERWBHTQDT-WQRHYEAKSA-N 0 1 399.541 3.849 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841743879 1028906650 /nfs/dbraw/zinc/90/66/50/1028906650.db2.gz CUNKONJSIPRAER-ZDUSSCGKSA-N 0 1 378.875 3.997 20 10 GHCDMN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1OC ZINC000841757832 1028916103 /nfs/dbraw/zinc/91/61/03/1028916103.db2.gz QGZIXYBNNXESCZ-RNODOKPDSA-N 0 1 379.884 3.707 20 10 GHCDMN Cc1ccccc1-n1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000842669362 1029471149 /nfs/dbraw/zinc/47/11/49/1029471149.db2.gz LNCCTTHLXIWWLF-UHFFFAOYSA-N 0 1 394.494 3.571 20 10 GHCDMN CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000404573338 1029930248 /nfs/dbraw/zinc/93/02/48/1029930248.db2.gz LOBOPVPLGSTTCY-UHFFFAOYSA-N 0 1 399.329 3.939 20 10 GHCDMN Cc1nc2cc(-c3noc(-c4cc5cc(O)c(O)cc5oc4=O)n3)ccc2s1 ZINC001217553447 1030488188 /nfs/dbraw/zinc/48/81/88/1030488188.db2.gz FTONAEJFPXLDAA-UHFFFAOYSA-N 0 1 393.380 3.839 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001217554103 1030488310 /nfs/dbraw/zinc/48/83/10/1030488310.db2.gz OQKYPZJJGPTXKH-UHFFFAOYSA-N 0 1 389.323 3.576 20 10 GHCDMN COC(=O)[C@H]1[C@@H](CN(C)Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1(F)F ZINC001461860113 1069800874 /nfs/dbraw/zinc/80/08/74/1069800874.db2.gz DNURERXJQRILIA-RTBURBONSA-N 0 1 392.446 3.589 20 10 GHCDMN Cc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(CC(C)C)C3=O)C2)cc1Br ZINC001277426925 1033764913 /nfs/dbraw/zinc/76/49/13/1033764913.db2.gz MDIIDCGXPSQZMU-IBGZPJMESA-N 0 1 395.341 3.544 20 10 GHCDMN COc1cc(Cl)cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1O ZINC001207549044 1034445606 /nfs/dbraw/zinc/44/56/06/1034445606.db2.gz QALHMXNQFHDLMI-OAHLLOKOSA-N 0 1 384.904 3.789 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509121 1034536929 /nfs/dbraw/zinc/53/69/29/1034536929.db2.gz AVTKDKHVRSFNEL-INIZCTEOSA-N 0 1 394.796 3.704 20 10 GHCDMN COc1ccc(Br)c(CN2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001231553117 1034705016 /nfs/dbraw/zinc/70/50/16/1034705016.db2.gz QKVXSOFMUVECTC-OAHLLOKOSA-N 0 1 392.293 3.954 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2[O-])C1=O ZINC001277541776 1034763038 /nfs/dbraw/zinc/76/30/38/1034763038.db2.gz ZIEVCVUPVBWVNK-IFXJQAMLSA-N 0 1 395.341 3.829 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001231849096 1034940218 /nfs/dbraw/zinc/94/02/18/1034940218.db2.gz NSCZUSPHHKNAMD-SFHVURJKSA-N 0 1 377.529 3.640 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001231849096 1034940225 /nfs/dbraw/zinc/94/02/25/1034940225.db2.gz NSCZUSPHHKNAMD-SFHVURJKSA-N 0 1 377.529 3.640 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC(Oc2ncnc3ccccc32)CC1 ZINC001231858328 1034946695 /nfs/dbraw/zinc/94/66/95/1034946695.db2.gz TXPFITOLKGCMEX-UHFFFAOYSA-N 0 1 392.503 3.748 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001231868515 1034955189 /nfs/dbraw/zinc/95/51/89/1034955189.db2.gz CVIJFPXCZKDNDL-YOEHRIQHSA-N 0 1 377.941 3.907 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1Cl ZINC001231868515 1034955191 /nfs/dbraw/zinc/95/51/91/1034955191.db2.gz CVIJFPXCZKDNDL-YOEHRIQHSA-N 0 1 377.941 3.907 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1Cl ZINC001231868682 1034955267 /nfs/dbraw/zinc/95/52/67/1034955267.db2.gz WERAJYNCINTDLH-GOSISDBHSA-N 0 1 388.895 3.952 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1Cl ZINC001231869640 1034956323 /nfs/dbraw/zinc/95/63/23/1034956323.db2.gz UCOAUEWMZOVXRG-LAUBAEHRSA-N 0 1 388.895 3.952 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1Cl 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C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912106473 852079716 /nfs/dbraw/zinc/07/97/16/852079716.db2.gz KNXQLSWKHDZLJU-SCLBCKFNSA-N 0 1 394.441 3.733 20 10 GHCDMN COc1cc(Cl)cc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280812739 855297885 /nfs/dbraw/zinc/29/78/85/855297885.db2.gz UKFMMEJLWDYSNR-FZKQIMNGSA-N 0 1 397.924 3.627 20 10 GHCDMN CC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000057949368 855827403 /nfs/dbraw/zinc/82/74/03/855827403.db2.gz MITQCQUMWVLFRM-HSZRJFAPSA-N 0 1 396.531 3.751 20 10 GHCDMN O=C(CC[NH2+]Cc1c([O-])cccc1Cl)Nc1ccc(Br)cc1 ZINC000733327533 862870785 /nfs/dbraw/zinc/87/07/85/862870785.db2.gz UOMLNANBDBPHLI-UHFFFAOYSA-N 0 1 383.673 3.927 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706822210 857927320 /nfs/dbraw/zinc/92/73/20/857927320.db2.gz ZEKOJPSASDFJFM-OLZOCXBDSA-N 0 1 399.329 3.938 20 10 GHCDMN O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccc2c(c1)CCO2 ZINC000727250205 860013742 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CSCc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000899260756 865647411 /nfs/dbraw/zinc/64/74/11/865647411.db2.gz PZXGPVVPWLWZDU-WJDWOHSUSA-N 0 1 378.588 3.845 20 10 GHCDMN COc1cc(N2CCN(c3ccnc4cc(F)ccc43)CC2)cc(OC)c1OC ZINC000302171015 865747608 /nfs/dbraw/zinc/74/76/08/865747608.db2.gz USATVXLHGMSNPV-UHFFFAOYSA-N 0 1 397.450 3.726 20 10 GHCDMN COc1ccc(N2CCN(CCNc3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000742928324 867683317 /nfs/dbraw/zinc/68/33/17/867683317.db2.gz MYUWRVBOQSPIAE-UHFFFAOYSA-N 0 1 397.548 3.551 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cn1 ZINC000793331542 882110186 /nfs/dbraw/zinc/11/01/86/882110186.db2.gz AXFMALQEXMRBAO-CQSZACIVSA-N 0 1 376.298 3.532 20 10 GHCDMN CN(C)[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1 ZINC000743621938 868309714 /nfs/dbraw/zinc/30/97/14/868309714.db2.gz UWYTXJHKEAXAST-FQEVSTJZSA-N 0 1 385.483 3.512 20 10 GHCDMN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000743673574 868340848 /nfs/dbraw/zinc/34/08/48/868340848.db2.gz 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CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775525579 870379425 /nfs/dbraw/zinc/37/94/25/870379425.db2.gz XADZRYYCQSAWNY-RTBURBONSA-N 0 1 388.895 3.896 20 10 GHCDMN CCOc1ccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001192413742 870382747 /nfs/dbraw/zinc/38/27/47/870382747.db2.gz RUBZHLBWERTJFQ-FQEVSTJZSA-N 0 1 394.437 3.960 20 10 GHCDMN CCOc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)cnc1Br ZINC001193589176 871176408 /nfs/dbraw/zinc/17/64/08/871176408.db2.gz FVGVODAHEOWKBQ-UHFFFAOYSA-N 0 1 387.617 3.560 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc1 ZINC001194435673 871717168 /nfs/dbraw/zinc/71/71/68/871717168.db2.gz NGFNICCIYVYUCA-UHFFFAOYSA-N 0 1 393.453 3.913 20 10 GHCDMN COc1cccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000766804629 871829216 /nfs/dbraw/zinc/82/92/16/871829216.db2.gz CXDWPXXWVYGTOB-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775633886 872150822 /nfs/dbraw/zinc/15/08/22/872150822.db2.gz MSAXSCKSWIMQJP-GFCCVEGCSA-N 0 1 393.119 3.918 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000102038928 872496792 /nfs/dbraw/zinc/49/67/92/872496792.db2.gz OZZVEOOSOKGPKO-HXUWFJFHSA-N 0 1 384.524 3.633 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2[C@@H]2CCCO2)C1 ZINC000552412421 872604335 /nfs/dbraw/zinc/60/43/35/872604335.db2.gz XPMXWHVOMDKGEK-GOTSBHOMSA-N 0 1 395.547 3.578 20 10 GHCDMN COc1cccc(O)c1CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000768196526 873163057 /nfs/dbraw/zinc/16/30/57/873163057.db2.gz GYSDNZXKUSYZKZ-UHFFFAOYSA-N 0 1 380.410 3.737 20 10 GHCDMN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(Cl)cc(F)c1O ZINC000775727116 873225549 /nfs/dbraw/zinc/22/55/49/873225549.db2.gz JBVCQCLQBREWHX-OAHLLOKOSA-N 0 1 391.748 3.948 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H](CO)C(C)(C)C ZINC000775734633 873262991 /nfs/dbraw/zinc/26/29/91/873262991.db2.gz UOUQFBNOLWPPDL-GFCCVEGCSA-N 0 1 395.135 3.756 20 10 GHCDMN CC(C)CCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915477 873683347 /nfs/dbraw/zinc/68/33/47/873683347.db2.gz LCGMIOKJWYAOLR-YJBOKZPZSA-N 0 1 382.932 3.577 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(COc3ccccc3)CC2)cc1 ZINC000921234304 882751120 /nfs/dbraw/zinc/75/11/20/882751120.db2.gz URNSTTZUINCHAG-UHFFFAOYSA-N 0 1 395.547 3.502 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C(=O)OC(C)(C)C ZINC000769331070 873969854 /nfs/dbraw/zinc/96/98/54/873969854.db2.gz GMQQMKLKUSSRNG-LBPRGKRZSA-N 0 1 399.875 3.643 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769425964 874046394 /nfs/dbraw/zinc/04/63/94/874046394.db2.gz RUSLLSYCXZABCP-BXUZGUMPSA-N 0 1 399.875 3.689 20 10 GHCDMN CCOc1ccc(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c(O)c1 ZINC000769451249 874078270 /nfs/dbraw/zinc/07/82/70/874078270.db2.gz KMZHBYSPTXVMQB-LJQANCHMSA-N 0 1 384.476 3.711 20 10 GHCDMN CC(C)OC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000769815439 874304192 /nfs/dbraw/zinc/30/41/92/874304192.db2.gz QSPNKOUSEAUXFA-MRXNPFEDSA-N 0 1 394.309 3.934 20 10 GHCDMN COc1cc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc2ccccc21 ZINC001198450316 874410418 /nfs/dbraw/zinc/41/04/18/874410418.db2.gz MZNHOKURJZIHEH-KRWDZBQOSA-N 0 1 391.515 3.881 20 10 GHCDMN O=C1CCCN1Cc1cccc(C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC000858096837 882840506 /nfs/dbraw/zinc/84/05/06/882840506.db2.gz QFGZNGGLKOXBRS-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN COc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1F ZINC000771057416 875013875 /nfs/dbraw/zinc/01/38/75/875013875.db2.gz JCRZVHDTLGSPRR-MRXNPFEDSA-N 0 1 392.858 3.588 20 10 GHCDMN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771202864 875083411 /nfs/dbraw/zinc/08/34/11/875083411.db2.gz LQFRKNJZXJSRQA-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771202864 875083413 /nfs/dbraw/zinc/08/34/13/875083413.db2.gz LQFRKNJZXJSRQA-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000771841894 875481508 /nfs/dbraw/zinc/48/15/08/875481508.db2.gz GOWQNKKQNGEZAD-KRWDZBQOSA-N 0 1 383.540 3.720 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nc2c(s1)CCCC2 ZINC000772445174 875962847 /nfs/dbraw/zinc/96/28/47/875962847.db2.gz OWLAOMPLNRFCHH-WBVHZDCISA-N 0 1 398.576 3.574 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(F)ccc3F)cc2F)CC1 ZINC000106584827 876153182 /nfs/dbraw/zinc/15/31/82/876153182.db2.gz NQQBYEHMBGWGEI-UHFFFAOYSA-N 0 1 392.425 3.568 20 10 GHCDMN Cc1cccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000825536098 876271727 /nfs/dbraw/zinc/27/17/27/876271727.db2.gz FUKCYCPOTWRJDD-OAHLLOKOSA-N 0 1 384.480 3.719 20 10 GHCDMN COCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC000312767663 876438863 /nfs/dbraw/zinc/43/88/63/876438863.db2.gz BXKDNNYBCRHTGH-UHFFFAOYSA-N 0 1 398.931 3.799 20 10 GHCDMN CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850486040 876959647 /nfs/dbraw/zinc/95/96/47/876959647.db2.gz QWKLHIMPVBTOKG-AWEZNQCLSA-N 0 1 379.444 3.667 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3nc(Br)cs3)C2)cc1 ZINC000850485886 876959740 /nfs/dbraw/zinc/95/97/40/876959740.db2.gz CBCJCIDTNGKFHW-RYUDHWBXSA-N 0 1 382.327 3.844 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1O ZINC000175659608 877403819 /nfs/dbraw/zinc/40/38/19/877403819.db2.gz GIHLXNSXUCXHDJ-HXUWFJFHSA-N 0 1 375.415 3.819 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CC(O)(c2cccc(Br)c2)C1 ZINC001183084351 912239967 /nfs/dbraw/zinc/23/99/67/912239967.db2.gz LSGGTFXQDSNSNH-UHFFFAOYSA-N 0 1 386.648 3.651 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3ccc(-c4cc[nH]n4)o3)cc2F)C[C@H](C)O1 ZINC000788508137 878114946 /nfs/dbraw/zinc/11/49/46/878114946.db2.gz TYPBKFKYSNUWNI-GJZGRUSLSA-N 0 1 384.455 3.712 20 10 GHCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nc1 ZINC000093534458 912325916 /nfs/dbraw/zinc/32/59/16/912325916.db2.gz XDUSJUUTKYTMNY-LBPRGKRZSA-N 0 1 383.235 3.689 20 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C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838144 885804273 /nfs/dbraw/zinc/80/42/73/885804273.db2.gz LMRKPBJIKYKBAA-JTQLQIEISA-N 0 1 391.295 3.818 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(OCC(F)F)cc1 ZINC000808113743 886021671 /nfs/dbraw/zinc/02/16/71/886021671.db2.gz IGMKTDDQXWDBDO-UHFFFAOYSA-N 0 1 381.759 3.629 20 10 GHCDMN O=C(NC1CC[NH+](Cc2c([O-])cccc2Br)CC1)c1ccsc1 ZINC000862232885 886229980 /nfs/dbraw/zinc/22/99/80/886229980.db2.gz CQQKFGZEXOLJEI-UHFFFAOYSA-N 0 1 395.322 3.611 20 10 GHCDMN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777236652 886260222 /nfs/dbraw/zinc/26/02/22/886260222.db2.gz ZCUXTOSOLXVHDM-HNNXBMFYSA-N 0 1 384.451 3.731 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862301156 886285815 /nfs/dbraw/zinc/28/58/15/886285815.db2.gz ZHTOPLOKAPVQFS-UONOGXRCSA-N 0 1 383.483 3.766 20 10 GHCDMN OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001184115969 913034603 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CC(C)(C)c1nc(CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)cs1 ZINC000917473743 892030908 /nfs/dbraw/zinc/03/09/08/892030908.db2.gz BDFFMSQYUXLACT-UHFFFAOYSA-N 0 1 385.577 3.953 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4cccnc4s3)cc2F)CC1 ZINC000825756149 892397774 /nfs/dbraw/zinc/39/77/74/892397774.db2.gz JRRDVRZYZBMLLY-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN CN(Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1O ZINC000876615439 893256946 /nfs/dbraw/zinc/25/69/46/893256946.db2.gz FIZVCCGMABUUKD-UHFFFAOYSA-N 0 1 375.469 3.772 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000918184255 893321170 /nfs/dbraw/zinc/32/11/70/893321170.db2.gz JASDSWJTFPQJAF-QFIPXVFZSA-N 0 1 398.551 3.644 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000815661004 894075676 /nfs/dbraw/zinc/07/56/76/894075676.db2.gz QHPOVUOVQVUGSW-CYGHRXIMSA-N 0 1 394.313 3.811 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774880122 913904082 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CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000041573712 896433352 /nfs/dbraw/zinc/43/33/52/896433352.db2.gz HMHPABIETXMYBI-UHFFFAOYSA-N 0 1 375.475 3.793 20 10 GHCDMN CC1(c2cccc(C[NH2+]Cc3c([O-])cccc3Br)c2)OCCO1 ZINC000883128786 897304770 /nfs/dbraw/zinc/30/47/70/897304770.db2.gz VSTBWZQRFWLOPN-UHFFFAOYSA-N 0 1 378.266 3.664 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C(C)(C)C)CC2)ccc1C ZINC001136344600 897361450 /nfs/dbraw/zinc/36/14/50/897361450.db2.gz MLSCKLYELMZTBP-UHFFFAOYSA-N 0 1 381.520 3.771 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1([C@H]2CCCCO2)CCOCC1 ZINC000822948796 898747267 /nfs/dbraw/zinc/74/72/67/898747267.db2.gz ATZXCLFOOHRGMJ-OAHLLOKOSA-N 0 1 388.291 3.681 20 10 GHCDMN COc1cc(F)cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000823671345 899180192 /nfs/dbraw/zinc/18/01/92/899180192.db2.gz MEMMQGMCPSDFKM-GJZGRUSLSA-N 0 1 376.447 3.877 20 10 GHCDMN CCOC(=O)C1(C(=O)c2ccccc2)CCN(Cc2cc(C)ccc2O)CC1 ZINC000824615688 899722518 /nfs/dbraw/zinc/72/25/18/899722518.db2.gz KQGXHONDNCIQDZ-UHFFFAOYSA-N 0 1 381.472 3.729 20 10 GHCDMN Cc1cc(O)c(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000824627237 899725384 /nfs/dbraw/zinc/72/53/84/899725384.db2.gz KRQAGRKMCMAXCQ-UHFFFAOYSA-N 0 1 397.924 3.658 20 10 GHCDMN Cc1ccc2c(c1)N(C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000824683115 899764276 /nfs/dbraw/zinc/76/42/76/899764276.db2.gz WGTJISURVZOJDH-INIZCTEOSA-N 0 1 396.491 3.645 20 10 GHCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824769567 899795461 /nfs/dbraw/zinc/79/54/61/899795461.db2.gz WWXBCVBJKNKMTN-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824769567 899795473 /nfs/dbraw/zinc/79/54/73/899795473.db2.gz WWXBCVBJKNKMTN-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])c2ccccc21 ZINC000825384698 900136645 /nfs/dbraw/zinc/13/66/45/900136645.db2.gz HUAQBTODJZDXJV-INIZCTEOSA-N 0 1 375.266 3.742 20 10 GHCDMN C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207765 900601942 /nfs/dbraw/zinc/60/19/42/900601942.db2.gz FPHGIBWRIOVETE-LYASGUKUSA-N 0 1 399.422 3.715 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000886751430 901254673 /nfs/dbraw/zinc/25/46/73/901254673.db2.gz QGSDHTDMKHSPEK-AWEZNQCLSA-N 0 1 387.911 3.598 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4ccc(C)cc4[nH]3)cc2F)CC1 ZINC000303272448 914541324 /nfs/dbraw/zinc/54/13/24/914541324.db2.gz GJDMQBPIQKHRLG-UHFFFAOYSA-N 0 1 394.494 3.687 20 10 GHCDMN C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846211171 902823040 /nfs/dbraw/zinc/82/30/40/902823040.db2.gz BLIRZYXRJAGVJH-MRXNPFEDSA-N 0 1 380.467 3.675 20 10 GHCDMN COc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186777602 914800483 /nfs/dbraw/zinc/80/04/83/914800483.db2.gz UJWJKUDXNLTDOI-UHFFFAOYSA-N 0 1 397.758 3.754 20 10 GHCDMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773107624 904442068 /nfs/dbraw/zinc/44/20/68/904442068.db2.gz YYGZUIVQMRSUJM-HNNXBMFYSA-N 0 1 390.959 3.886 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773316118 904703771 /nfs/dbraw/zinc/70/37/71/904703771.db2.gz SOJUTNTVSSPQNK-QGZVFWFLSA-N 0 1 394.475 3.819 20 10 GHCDMN CC(C)[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000779150020 904715892 /nfs/dbraw/zinc/71/58/92/904715892.db2.gz JNVUQLAWTKZFKG-CYBMUJFWSA-N 0 1 393.119 3.774 20 10 GHCDMN COc1ccc(N(C)CCN(C)Cc2cnc(Br)c(C)c2)cc1 ZINC001171728689 904955830 /nfs/dbraw/zinc/95/58/30/904955830.db2.gz ALSJDMXRRMJFFX-UHFFFAOYSA-N 0 1 378.314 3.729 20 10 GHCDMN CCc1cc2c(C[N@H+](C)CCN(C)c3ccc(OC)cc3)cc(=O)oc2cc1[O-] ZINC001171730518 904959394 /nfs/dbraw/zinc/95/93/94/904959394.db2.gz XGGFCHPGISPKPR-UHFFFAOYSA-N 0 1 396.487 3.638 20 10 GHCDMN CCc1cc2c(C[N@@H+](C)CCN(C)c3ccc(OC)cc3)cc(=O)oc2cc1[O-] ZINC001171730518 904959399 /nfs/dbraw/zinc/95/93/99/904959399.db2.gz XGGFCHPGISPKPR-UHFFFAOYSA-N 0 1 396.487 3.638 20 10 GHCDMN CCCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1O ZINC000801595574 921173291 /nfs/dbraw/zinc/17/32/91/921173291.db2.gz OKKLNQPHMYLSOS-UHFFFAOYSA-N 0 1 387.436 3.550 20 10 GHCDMN CCO[C@@H](C)c1nc(CN2CCN(Cc3cccc(C)c3O)CC2)cs1 ZINC000180514712 906784583 /nfs/dbraw/zinc/78/45/83/906784583.db2.gz RKCPVZHOAOMLAN-INIZCTEOSA-N 0 1 375.538 3.572 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c(C)n1-c1cccc(C)c1 ZINC000773494789 907530931 /nfs/dbraw/zinc/53/09/31/907530931.db2.gz ADTIWGXTALAVDN-UHFFFAOYSA-N 0 1 380.448 3.511 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185135819 907720285 /nfs/dbraw/zinc/72/02/85/907720285.db2.gz NDCWJBHMCCJHPG-AWEZNQCLSA-N 0 1 396.940 3.724 20 10 GHCDMN CC[C@@H](NCc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000185206151 907731988 /nfs/dbraw/zinc/73/19/88/907731988.db2.gz OGYLTMZWZNFDOX-CQSZACIVSA-N 0 1 379.302 3.714 20 10 GHCDMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000268014401 909737754 /nfs/dbraw/zinc/73/77/54/909737754.db2.gz SCFARDFAPUERKX-UHFFFAOYSA-N 0 1 392.477 3.592 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1CC(C(F)(F)F)C1 ZINC001181860835 911045340 /nfs/dbraw/zinc/04/53/40/911045340.db2.gz OOMGFEZVIJLJOD-UHFFFAOYSA-N 0 1 389.009 3.911 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000274342363 911310010 /nfs/dbraw/zinc/31/00/10/911310010.db2.gz IQFKCKBUTSDRLB-UHFFFAOYSA-N 0 1 381.394 3.860 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001204336175 911513977 /nfs/dbraw/zinc/51/39/77/911513977.db2.gz FNIAHOYCIDZNRY-CYBMUJFWSA-N 0 1 386.183 3.887 20 10 GHCDMN CCOc1ccc(O)c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000092453242 911545306 /nfs/dbraw/zinc/54/53/06/911545306.db2.gz XZWLNWGNWXSXNJ-UHFFFAOYSA-N 0 1 388.895 3.792 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000283957945 911703527 /nfs/dbraw/zinc/70/35/27/911703527.db2.gz BVZQTOJVRRPDIA-LBPRGKRZSA-N 0 1 395.908 3.893 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Oc2ncc(Br)cn2)CC1 ZINC001203657015 915139603 /nfs/dbraw/zinc/13/96/03/915139603.db2.gz BUZXKFKJUSKQQF-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CCn1c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)nc2cc(F)ccc21 ZINC000775253643 916645954 /nfs/dbraw/zinc/64/59/54/916645954.db2.gz AIPDUFIECGFEIR-MRXNPFEDSA-N 0 1 382.483 3.883 20 10 GHCDMN Oc1cccc2c1[C@H](NCc1nnc3c(Cl)cc(C(F)(F)F)cn13)CC2 ZINC000296117300 917866040 /nfs/dbraw/zinc/86/60/40/917866040.db2.gz VBCRHALIDPRHFI-GFCCVEGCSA-N 0 1 382.773 3.884 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCc3cccnc32)C1 ZINC000653970576 918656901 /nfs/dbraw/zinc/65/69/01/918656901.db2.gz WPCWPWVCOYIPGJ-UHFFFAOYSA-N 0 1 388.515 3.782 20 10 GHCDMN Cc1[nH]ncc1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800701310 920375785 /nfs/dbraw/zinc/37/57/85/920375785.db2.gz ZQOHANBRYHAYKY-CYBMUJFWSA-N 0 1 375.904 3.607 20 10 GHCDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902416161 922178056 /nfs/dbraw/zinc/17/80/56/922178056.db2.gz TUTSDBHHXJCUCC-QGZVFWFLSA-N 0 1 391.471 3.800 20 10 GHCDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902416161 922178079 /nfs/dbraw/zinc/17/80/79/922178079.db2.gz TUTSDBHHXJCUCC-QGZVFWFLSA-N 0 1 391.471 3.800 20 10 GHCDMN Cc1cc(Br)cc([C@@H](C)NCc2nc(CN(C)C)cs2)c1O ZINC000903221020 922864741 /nfs/dbraw/zinc/86/47/41/922864741.db2.gz SOUPNXRKXHKMJM-LLVKDONJSA-N 0 1 384.343 3.832 20 10 GHCDMN Cc1nc2ccccn2c1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903421308 923007166 /nfs/dbraw/zinc/00/71/66/923007166.db2.gz GXSCOFFDDHDDMB-OAHLLOKOSA-N 0 1 384.911 3.984 20 10 GHCDMN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000370679766 924253372 /nfs/dbraw/zinc/25/33/72/924253372.db2.gz XUNVBHMOFJIFTR-FOIQADDNSA-N 0 1 386.467 3.845 20 10 GHCDMN Cc1cc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000011193283 924687380 /nfs/dbraw/zinc/68/73/80/924687380.db2.gz NQTSZXUPTUMTCG-FQEVSTJZSA-N 0 1 395.547 3.907 20 10 GHCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H](C)C1O ZINC000827147242 924898203 /nfs/dbraw/zinc/89/82/03/924898203.db2.gz OWQZPHYERPOIRK-HUUCEWRRSA-N 0 1 381.358 3.888 20 10 GHCDMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000371864244 924922528 /nfs/dbraw/zinc/92/25/28/924922528.db2.gz KTRWJJPOZPTMMX-NWDGAFQWSA-N 0 1 379.302 3.884 20 10 GHCDMN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC1=CCCOC1 ZINC000827188893 924977796 /nfs/dbraw/zinc/97/77/96/924977796.db2.gz DTGMUGBJQVEROC-UHFFFAOYSA-N 0 1 391.103 3.696 20 10 GHCDMN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276079165 925268431 /nfs/dbraw/zinc/26/84/31/925268431.db2.gz XOYXEGHLOKZCCA-DAXOMENPSA-N 0 1 381.314 3.519 20 10 GHCDMN CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Br ZINC001276079165 925268433 /nfs/dbraw/zinc/26/84/33/925268433.db2.gz XOYXEGHLOKZCCA-DAXOMENPSA-N 0 1 381.314 3.519 20 10 GHCDMN COC(=O)c1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)c(F)c1 ZINC000827519647 925752390 /nfs/dbraw/zinc/75/23/90/925752390.db2.gz QFIKPZBOBHGGBF-UHFFFAOYSA-N 0 1 375.440 3.914 20 10 GHCDMN CCOc1c(OC)cc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1OC ZINC000725850138 926467444 /nfs/dbraw/zinc/46/74/44/926467444.db2.gz MSHXSRUWPQZUEA-UHFFFAOYSA-N 0 1 396.281 3.860 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1[N+](=O)[O-] ZINC000373898440 926537333 /nfs/dbraw/zinc/53/73/33/926537333.db2.gz OZMPFAYLEFYHHF-CQSZACIVSA-N 0 1 383.404 3.830 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000749837893 927306199 /nfs/dbraw/zinc/30/61/99/927306199.db2.gz GTTDDFRJSRBKEO-WOJBJXKFSA-N 0 1 387.568 3.540 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000759641665 930435654 /nfs/dbraw/zinc/43/56/54/930435654.db2.gz FGLRPZRNERXUBZ-GOSISDBHSA-N 0 1 385.527 3.851 20 10 GHCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@@H]1c1ccccc1C(F)(F)F ZINC000781931266 931034061 /nfs/dbraw/zinc/03/40/61/931034061.db2.gz SQUKGBFDCLKMBO-OAHLLOKOSA-N 0 1 384.785 3.738 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1[O-] ZINC000782078425 931083225 /nfs/dbraw/zinc/08/32/25/931083225.db2.gz NYIXCMAODXVYBT-MRXNPFEDSA-N 0 1 398.684 3.834 20 10 GHCDMN CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000798964909 932843112 /nfs/dbraw/zinc/84/31/12/932843112.db2.gz RATJMBWKBGLATQ-GFCCVEGCSA-N 0 1 393.119 3.918 20 10 GHCDMN CN1CCN(c2ccc(/C=C3/C(=O)Nc4ccc(Br)cc43)cc2)CC1 ZINC001116457672 933571389 /nfs/dbraw/zinc/57/13/89/933571389.db2.gz HEOOQIRXEFNBBL-LDADJPATSA-N 0 1 398.304 3.694 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Br)c1 ZINC000930216179 933898544 /nfs/dbraw/zinc/89/85/44/933898544.db2.gz ADWCBOCWVXDPKT-SNVBAGLBSA-N 0 1 381.226 3.922 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)CC3(C)CCCCC3)CC2)cc1 ZINC001124513763 935401917 /nfs/dbraw/zinc/40/19/17/935401917.db2.gz FVACOAIIERCQJY-UHFFFAOYSA-N 0 1 387.568 3.684 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)CC2)cc1 ZINC001124585470 935420396 /nfs/dbraw/zinc/42/03/96/935420396.db2.gz PJISCWNIWHPSBP-JKHIJQBDSA-N 0 1 399.579 3.540 20 10 GHCDMN CCOC(=O)C1(N(C)Cc2ccc(N3CCC(OC)CC3)cc2)CCCCC1 ZINC000828384321 935624241 /nfs/dbraw/zinc/62/42/41/935624241.db2.gz IMZVKFSDJCCCQX-UHFFFAOYSA-N 0 1 388.552 4.000 20 10 GHCDMN Cc1cc(CN2CCn3cc(CN4CCCC4)nc3C2)c(C)n1-c1ccccc1 ZINC001137855963 935827910 /nfs/dbraw/zinc/82/79/10/935827910.db2.gz LWCYSQYFAIDZAO-UHFFFAOYSA-N 0 1 389.547 3.902 20 10 GHCDMN CCOC(=O)c1cc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[nH]1 ZINC001137978484 935903436 /nfs/dbraw/zinc/90/34/36/935903436.db2.gz JCSHTYDTXXQNHP-UHFFFAOYSA-N 0 1 386.839 3.900 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599636987 994302917 /nfs/dbraw/zinc/30/29/17/994302917.db2.gz ZUCRGHLUDMEWMJ-QHCPKHFHSA-N 0 1 377.440 3.782 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NC3(C)CCC(C)CC3)cc2F)CC1 ZINC001226826248 1032147652 /nfs/dbraw/zinc/14/76/52/1032147652.db2.gz SULHJIAVSJFXTM-UHFFFAOYSA-N 0 1 390.547 3.736 20 10 GHCDMN COc1cc(I)cc(CN2CC[C@H](C)C[C@@H]2C)c1O ZINC001248401251 1035809360 /nfs/dbraw/zinc/80/93/60/1035809360.db2.gz TVWPYZXYETVFQG-QWRGUYRKSA-N 0 1 375.250 3.626 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCc4cccnc43)c1C2=O ZINC001227993325 1032727754 /nfs/dbraw/zinc/72/77/54/1032727754.db2.gz ALZRIKAQKJPNHE-QGZVFWFLSA-N 0 1 387.391 3.643 20 10 GHCDMN COC1CCC(Oc2cc(O)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)CC1 ZINC001227993875 1032729263 /nfs/dbraw/zinc/72/92/63/1032729263.db2.gz GRVKOUVEKPBTCB-UHFFFAOYSA-N 0 1 382.412 3.518 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(O)cc2[O-])C2CCC2)CC1 ZINC001204282652 1032724666 /nfs/dbraw/zinc/72/46/66/1032724666.db2.gz SHBLLCXNYJNWJU-UHFFFAOYSA-N 0 1 376.497 3.852 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(O)cc2[O-])C2CCC2)CC1 ZINC001204282652 1032724669 /nfs/dbraw/zinc/72/46/69/1032724669.db2.gz SHBLLCXNYJNWJU-UHFFFAOYSA-N 0 1 376.497 3.852 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001204340460 1032783963 /nfs/dbraw/zinc/78/39/63/1032783963.db2.gz RXMBXASBOXRLOS-INIZCTEOSA-N 0 1 393.281 3.602 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H]1CCc2ccccc21 ZINC001228517224 1032967545 /nfs/dbraw/zinc/96/75/45/1032967545.db2.gz QZWOPWMDRUHWMF-IBGZPJMESA-N 0 1 378.380 3.806 20 10 GHCDMN Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2c([O-])cccc2Cl)CC3)n1 ZINC001140338210 1021443288 /nfs/dbraw/zinc/44/32/88/1021443288.db2.gz ALBZBQPBDPRXRV-UHFFFAOYSA-N 0 1 399.922 3.906 20 10 GHCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000834909735 1021668915 /nfs/dbraw/zinc/66/89/15/1021668915.db2.gz DEPAWMSBPDJBHO-PWSUYJOCSA-N 0 1 378.270 3.536 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001140583777 1022005941 /nfs/dbraw/zinc/00/59/41/1022005941.db2.gz SAOKSCRVBWGOKX-UHFFFAOYSA-N 0 1 387.352 3.797 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001140585550 1022010611 /nfs/dbraw/zinc/01/06/11/1022010611.db2.gz NOLVXNDUQCCMDG-UHFFFAOYSA-N 0 1 388.336 3.891 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccc(C(=O)NC(C)C)cc3)CC2)cc1 ZINC001140616379 1022079616 /nfs/dbraw/zinc/07/96/16/1022079616.db2.gz DJWSFCFCTUMDNR-UHFFFAOYSA-N 0 1 381.520 3.546 20 10 GHCDMN Cc1cc(CN2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)on1 ZINC000754184820 1022526076 /nfs/dbraw/zinc/52/60/76/1022526076.db2.gz NZNKNPSOBUFDCZ-UHFFFAOYSA-N 0 1 377.444 3.906 20 10 GHCDMN COc1cc(C)cc(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1O ZINC000754740499 1022871828 /nfs/dbraw/zinc/87/18/28/1022871828.db2.gz UDNOPBXYASYXRV-SFHVURJKSA-N 0 1 394.471 3.850 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001140922519 1022891293 /nfs/dbraw/zinc/89/12/93/1022891293.db2.gz SMIMYTOIIZKYNQ-HXUWFJFHSA-N 0 1 379.932 3.991 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(Cl)c1 ZINC001140923799 1022900504 /nfs/dbraw/zinc/90/05/04/1022900504.db2.gz GMINYUQEXBHTMU-HMXCVIKNSA-N 0 1 378.944 3.955 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)Cc3nc(-c4ccc(F)cc4)no3)cc12 ZINC001204835250 1033113444 /nfs/dbraw/zinc/11/34/44/1033113444.db2.gz YSFWHNJXFKDGKB-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)Cc3nc(-c4ccc(F)cc4)no3)cc12 ZINC001204835250 1033113454 /nfs/dbraw/zinc/11/34/54/1033113454.db2.gz YSFWHNJXFKDGKB-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc(O)c(CN(C)Cc3nc(-c4ccc(F)cc4)no3)cc12 ZINC001204835250 1033113467 /nfs/dbraw/zinc/11/34/67/1033113467.db2.gz YSFWHNJXFKDGKB-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000756397586 1023628587 /nfs/dbraw/zinc/62/85/87/1023628587.db2.gz VPPPTYHLRKERCG-MRXNPFEDSA-N 0 1 395.503 3.841 20 10 GHCDMN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000756458255 1023661822 /nfs/dbraw/zinc/66/18/22/1023661822.db2.gz LAGSEGRWCRCBJK-CYBMUJFWSA-N 0 1 377.282 3.544 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756461286 1023663087 /nfs/dbraw/zinc/66/30/87/1023663087.db2.gz XRFZPDPDUGQNGM-JSGCOSHPSA-N 0 1 382.273 3.796 20 10 GHCDMN C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1[O-] ZINC000756478157 1023676033 /nfs/dbraw/zinc/67/60/33/1023676033.db2.gz FSCFVURKPLVUHR-NSHDSACASA-N 0 1 397.700 3.889 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000756477447 1023676129 /nfs/dbraw/zinc/67/61/29/1023676129.db2.gz XOBMLQBZWACLBN-TZMCWYRMSA-N 0 1 375.266 3.611 20 10 GHCDMN COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756538655 1023705107 /nfs/dbraw/zinc/70/51/07/1023705107.db2.gz DOLFDOOGERIZHX-SMDDNHRTSA-N 0 1 378.266 3.818 20 10 GHCDMN Cc1cccc2nc(Cl)nc(NCc3ccc(N4CCN(C)CC4)cc3)c12 ZINC001156657525 1033161110 /nfs/dbraw/zinc/16/11/10/1033161110.db2.gz MXQQFTUUUICLBH-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN CC[C@H](C)c1nc2[nH]ccc2c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156658752 1033161368 /nfs/dbraw/zinc/16/13/68/1033161368.db2.gz GEFAFHJLFARENF-INIZCTEOSA-N 0 1 378.524 3.835 20 10 GHCDMN C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756709616 1023784325 /nfs/dbraw/zinc/78/43/25/1023784325.db2.gz XHNSMHKQJFYNJU-LBPRGKRZSA-N 0 1 395.272 3.765 20 10 GHCDMN COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756776412 1023810731 /nfs/dbraw/zinc/81/07/31/1023810731.db2.gz ZEXCMEYQWMEJTN-BXUZGUMPSA-N 0 1 378.266 3.818 20 10 GHCDMN O=C(CCCc1cccnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544971 1023979292 /nfs/dbraw/zinc/97/92/92/1023979292.db2.gz VAMHGGGDXATBPV-IBGZPJMESA-N 0 1 387.911 3.544 20 10 GHCDMN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC001138124122 1024167328 /nfs/dbraw/zinc/16/73/28/1024167328.db2.gz ZWBHTHNJYXWVDS-WBVHZDCISA-N 0 1 381.426 3.843 20 10 GHCDMN Cc1cc(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000837191438 1024210425 /nfs/dbraw/zinc/21/04/25/1024210425.db2.gz ZWTIMMVLXZPJDQ-UHFFFAOYSA-N 0 1 379.464 3.600 20 10 GHCDMN c1cc2c(c(N3CCN(Cc4ccc(N5CCCCC5)cc4)CC3)c1)OCCO2 ZINC001138219833 1024392768 /nfs/dbraw/zinc/39/27/68/1024392768.db2.gz PVLLGJGDMSGITP-UHFFFAOYSA-N 0 1 393.531 3.770 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc3c(c1)CCCN3C)[C@H]2C ZINC001138357675 1024722490 /nfs/dbraw/zinc/72/24/90/1024722490.db2.gz VDHFXYSYNQDNTC-SFHVURJKSA-N 0 1 381.568 3.683 20 10 GHCDMN Cc1ccc(Cl)cc1N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138494946 1024927444 /nfs/dbraw/zinc/92/74/44/1024927444.db2.gz QKIYSWMDVLNWLI-UHFFFAOYSA-N 0 1 385.939 3.807 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3ccc4nc(C)ccc4c3)CC2)cc1 ZINC001141482612 1025199585 /nfs/dbraw/zinc/19/95/85/1025199585.db2.gz BOWZKKDTAGYEBK-UHFFFAOYSA-N 0 1 391.515 3.891 20 10 GHCDMN CCN(Cc1ccc(N2CCOCC2)c(Br)c1)Cc1ccccn1 ZINC001138679726 1025204335 /nfs/dbraw/zinc/20/43/35/1025204335.db2.gz GSKZGWSEZFNNPN-UHFFFAOYSA-N 0 1 390.325 3.703 20 10 GHCDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839012779 1025518276 /nfs/dbraw/zinc/51/82/76/1025518276.db2.gz ZGGPRFIEDKBYSG-RCDICMHDSA-N 0 1 387.387 3.638 20 10 GHCDMN CC(C)(C)c1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146508 1025641676 /nfs/dbraw/zinc/64/16/76/1025641676.db2.gz KGPHFMMPKBIHCT-UHFFFAOYSA-N 0 1 381.492 3.845 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC001162436982 1025748190 /nfs/dbraw/zinc/74/81/90/1025748190.db2.gz FJINVWREAJNWLL-GOSISDBHSA-N 0 1 395.894 3.974 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC001162436982 1025748206 /nfs/dbraw/zinc/74/82/06/1025748206.db2.gz FJINVWREAJNWLL-GOSISDBHSA-N 0 1 395.894 3.974 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCc2ncc(C(F)(F)F)cc2C1 ZINC001139129237 1025941817 /nfs/dbraw/zinc/94/18/17/1025941817.db2.gz ROCPZCMQKHYHGM-UHFFFAOYSA-N 0 1 390.361 3.779 20 10 GHCDMN CCn1ncc2c1CN(Cc1ccc(N(C)C)c(C)c1)C[C@H]2COCC1CC1 ZINC001139670055 1026525031 /nfs/dbraw/zinc/52/50/31/1026525031.db2.gz FWECBWXGCVWPBJ-FQEVSTJZSA-N 0 1 382.552 3.803 20 10 GHCDMN Cc1cc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)ccc1N(C)C ZINC001139672622 1026528991 /nfs/dbraw/zinc/52/89/91/1026528991.db2.gz ZYZUXLXXDBKLLO-CEMLEFRQSA-N 0 1 381.520 3.514 20 10 GHCDMN CCN1CC[C@@]2(C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001139681967 1026537733 /nfs/dbraw/zinc/53/77/33/1026537733.db2.gz JYKCQLYVWRRNHK-VGSWGCGISA-N 0 1 386.442 3.508 20 10 GHCDMN Cn1ncc2cc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)ccc21 ZINC001139953282 1026757967 /nfs/dbraw/zinc/75/79/67/1026757967.db2.gz KHAWKVVSFYZUJG-UHFFFAOYSA-N 0 1 390.409 3.794 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000840187816 1027325773 /nfs/dbraw/zinc/32/57/73/1027325773.db2.gz KDAIMTZRHNNKSO-QFIPXVFZSA-N 0 1 383.492 3.916 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000840187816 1027325791 /nfs/dbraw/zinc/32/57/91/1027325791.db2.gz KDAIMTZRHNNKSO-QFIPXVFZSA-N 0 1 383.492 3.916 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CC[C@]1(C)O ZINC001203565313 1027436679 /nfs/dbraw/zinc/43/66/79/1027436679.db2.gz ZXZXHGKYURLWEB-XPTSAGLGSA-N 0 1 393.119 3.510 20 10 GHCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C)c1O ZINC001203602307 1027466783 /nfs/dbraw/zinc/46/67/83/1027466783.db2.gz OGSGIDXZMMGGSG-CVEARBPZSA-N 0 1 378.513 3.916 20 10 GHCDMN CCOc1cccc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1O ZINC001203609878 1027474566 /nfs/dbraw/zinc/47/45/66/1027474566.db2.gz NNMTVODULBSZAE-WMZHIEFXSA-N 0 1 398.503 3.636 20 10 GHCDMN COc1ccc(CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H](C)O)cc1 ZINC001203636073 1027494566 /nfs/dbraw/zinc/49/45/66/1027494566.db2.gz OBMWHDZMBKVCMF-AWEZNQCLSA-N 0 1 394.309 3.589 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@H](C)O)cc1 ZINC001203636073 1027494577 /nfs/dbraw/zinc/49/45/77/1027494577.db2.gz OBMWHDZMBKVCMF-AWEZNQCLSA-N 0 1 394.309 3.589 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(Cl)ccc2[O-])cs1 ZINC001203656799 1027512491 /nfs/dbraw/zinc/51/24/91/1027512491.db2.gz XZRDTQDFOUSKBF-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cc(Cl)ccc2[O-])cs1 ZINC001203656799 1027512499 /nfs/dbraw/zinc/51/24/99/1027512499.db2.gz XZRDTQDFOUSKBF-IAGOWNOFSA-N 0 1 391.924 3.576 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001203658717 1027514887 /nfs/dbraw/zinc/51/48/87/1027514887.db2.gz MHKUQCRJLZTOBA-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001203658717 1027514889 /nfs/dbraw/zinc/51/48/89/1027514889.db2.gz MHKUQCRJLZTOBA-SFHVURJKSA-N 0 1 394.853 3.573 20 10 GHCDMN COc1ccc(O)c(CN2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)c1 ZINC001203680689 1027527373 /nfs/dbraw/zinc/52/73/73/1027527373.db2.gz BTVUVOMDWHADPC-UHFFFAOYSA-N 0 1 398.503 3.678 20 10 GHCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC001210875989 1027688792 /nfs/dbraw/zinc/68/87/92/1027688792.db2.gz VWGDFWSJEWNSNF-APWZRJJASA-N 0 1 388.581 3.656 20 10 GHCDMN COc1ccc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(F)c1 ZINC000840761329 1027802589 /nfs/dbraw/zinc/80/25/89/1027802589.db2.gz WDBAEDZJQYCSOE-CYBMUJFWSA-N 0 1 380.410 3.800 20 10 GHCDMN COc1ccc(OC)c([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840761404 1027802828 /nfs/dbraw/zinc/80/28/28/1027802828.db2.gz WNCIAJFOSOVZSY-AWEZNQCLSA-N 0 1 392.446 3.669 20 10 GHCDMN Cc1cc(O)c(CN2CCCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000840910753 1027944950 /nfs/dbraw/zinc/94/49/50/1027944950.db2.gz RGDKXUUPNFTKQZ-UHFFFAOYSA-N 0 1 376.859 3.841 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])c1csnn1 ZINC000840969915 1028002319 /nfs/dbraw/zinc/00/23/19/1028002319.db2.gz MAMHFNKMLWNQSK-ZCFIWIBFSA-N 0 1 393.104 3.620 20 10 GHCDMN CN1CC[C@H](CNC(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000841298933 1028389931 /nfs/dbraw/zinc/38/99/31/1028389931.db2.gz UXWNPWBSEOYZNQ-ACJLOTCBSA-N 0 1 376.863 3.876 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142513016 1029016830 /nfs/dbraw/zinc/01/68/30/1029016830.db2.gz TUBHQCDJIOLPRK-UHFFFAOYSA-N 0 1 382.451 3.893 20 10 GHCDMN Cc1ccccc1-n1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000842710935 1029521466 /nfs/dbraw/zinc/52/14/66/1029521466.db2.gz UCKXUMFCCKQDAI-UHFFFAOYSA-N 0 1 398.457 3.585 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](N)c3ccccc3OC)c2C)cc1 ZINC000843301790 1029899905 /nfs/dbraw/zinc/89/99/05/1029899905.db2.gz ZWOFDEOQNGPDOY-NRFANRHFSA-N 0 1 393.487 3.541 20 10 GHCDMN CC(C)(N)c1noc(CN2CCCc3cc(OCc4ccccc4)ccc32)n1 ZINC000843358753 1029936701 /nfs/dbraw/zinc/93/67/01/1029936701.db2.gz YHBSGGHUPNWSOP-UHFFFAOYSA-N 0 1 378.476 3.795 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1[O-] ZINC000843413987 1029988325 /nfs/dbraw/zinc/98/83/25/1029988325.db2.gz QRSOUPLQRUWDHN-UHFFFAOYSA-N 0 1 399.915 3.767 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1[O-] ZINC000843413987 1029988331 /nfs/dbraw/zinc/98/83/31/1029988331.db2.gz QRSOUPLQRUWDHN-UHFFFAOYSA-N 0 1 399.915 3.767 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cn3ccc(Br)cc3n2)c1 ZINC001461607078 1069637975 /nfs/dbraw/zinc/63/79/75/1069637975.db2.gz ZWJLCSXUUKTBBH-LLVKDONJSA-N 0 1 376.254 3.662 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(Br)cc(C)c2O)C1=O ZINC001276958561 1030941674 /nfs/dbraw/zinc/94/16/74/1030941674.db2.gz IMTHQGFMFIQOLQ-AUUYWEPGSA-N 0 1 395.341 3.829 20 10 GHCDMN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001218581634 1030993361 /nfs/dbraw/zinc/99/33/61/1030993361.db2.gz NOHVJEHIMNWAOC-NRVXGVHGSA-N 0 1 392.385 3.536 20 10 GHCDMN COc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157436164 1033588681 /nfs/dbraw/zinc/58/86/81/1033588681.db2.gz ZYRAPAMKUJOASW-UNMCSNQZSA-N 0 1 394.515 3.644 20 10 GHCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)cc(F)c1[O-] ZINC001206688975 1033945693 /nfs/dbraw/zinc/94/56/93/1033945693.db2.gz IEVDOOVZIFXISI-UHFFFAOYSA-N 0 1 391.281 3.640 20 10 GHCDMN CC[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1F ZINC001230456369 1034070383 /nfs/dbraw/zinc/07/03/83/1034070383.db2.gz FLJDTELHQWWMNT-OAQYLSRUSA-N 0 1 384.499 3.528 20 10 GHCDMN COc1ccc([C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CCO2)cc1OC ZINC001207812907 1034589412 /nfs/dbraw/zinc/58/94/12/1034589412.db2.gz GZYKKCYBLRQXPF-IBGZPJMESA-N 0 1 381.831 3.775 20 10 GHCDMN CCCC[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231453408 1034596657 /nfs/dbraw/zinc/59/66/57/1034596657.db2.gz FUPGOEXPRJWILV-KRWDZBQOSA-N 0 1 392.496 3.702 20 10 GHCDMN CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453979 1034598934 /nfs/dbraw/zinc/59/89/34/1034598934.db2.gz MTLUBRIIEAAPLX-RBUKOAKNSA-N 0 1 383.444 3.749 20 10 GHCDMN CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453979 1034598943 /nfs/dbraw/zinc/59/89/43/1034598943.db2.gz MTLUBRIIEAAPLX-RBUKOAKNSA-N 0 1 383.444 3.749 20 10 GHCDMN COc1ccc(Br)c(CN2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001231553599 1034705982 /nfs/dbraw/zinc/70/59/82/1034705982.db2.gz ZGVGMGBXXGVLMU-QGZVFWFLSA-N 0 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Cc1ccc(OCC(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1 ZINC001474346182 1074354684 /nfs/dbraw/zinc/35/46/84/1074354684.db2.gz OXDHISDQNHMAQE-UHFFFAOYSA-N 0 1 390.483 3.577 20 10 GHCDMN O=C([N-][C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001474634400 1074492518 /nfs/dbraw/zinc/49/25/18/1074492518.db2.gz FTTPRCRIYFRSQQ-IAGOWNOFSA-N 0 1 396.384 3.568 20 10 GHCDMN CCCN(CCC)c1ccc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000821099461 599456057 /nfs/dbraw/zinc/45/60/57/599456057.db2.gz JAOIWFATIUUINU-UHFFFAOYSA-N 0 1 382.487 3.922 20 10 GHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000740096199 600125507 /nfs/dbraw/zinc/12/55/07/600125507.db2.gz GCMCQCLMXGKYGX-FQEVSTJZSA-N 0 1 381.403 3.956 20 10 GHCDMN Cc1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnc1F ZINC000892607505 837045577 /nfs/dbraw/zinc/04/55/77/837045577.db2.gz UQJIZNFPMSNJMH-UHFFFAOYSA-N 0 1 383.389 3.674 20 10 GHCDMN Cc1onc(-c2ccccn2)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000377090980 838989119 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COc1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c(O)c1OC ZINC000891724162 842760214 /nfs/dbraw/zinc/76/02/14/842760214.db2.gz ACBYXRNCCUUTTQ-UHFFFAOYSA-N 0 1 391.414 3.783 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000925775517 843646707 /nfs/dbraw/zinc/64/67/07/843646707.db2.gz GWQCQARMXWUTHF-DTWKUNHWSA-N 0 1 383.664 3.704 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000584265653 844745231 /nfs/dbraw/zinc/74/52/31/844745231.db2.gz CJOOUKKAHUWOKJ-UHFFFAOYSA-N 0 1 391.519 3.657 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccc3F)cc2F)CC1 ZINC000731327821 861566957 /nfs/dbraw/zinc/56/69/57/861566957.db2.gz BLTBSPCLFSULSD-MRXNPFEDSA-N 0 1 387.474 3.527 20 10 GHCDMN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000280268729 846346624 /nfs/dbraw/zinc/34/66/24/846346624.db2.gz MHOUGJPVVCPPQP-CYBMUJFWSA-N 0 1 389.757 3.616 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000758527634 847237881 /nfs/dbraw/zinc/23/78/81/847237881.db2.gz 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3.682 20 10 GHCDMN Oc1ccccc1CN(Cc1cnn(Cc2ccc(F)cc2)c1)C[C@@H]1CCCO1 ZINC000189540622 905150910 /nfs/dbraw/zinc/15/09/10/905150910.db2.gz NMUXGMMOHPLVFO-QFIPXVFZSA-N 0 1 395.478 3.957 20 10 GHCDMN CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000779537801 907520899 /nfs/dbraw/zinc/52/08/99/907520899.db2.gz PTYSTFZANREECE-UHFFFAOYSA-N 0 1 379.464 3.595 20 10 GHCDMN CCN1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000779537801 907520912 /nfs/dbraw/zinc/52/09/12/907520912.db2.gz PTYSTFZANREECE-UHFFFAOYSA-N 0 1 379.464 3.595 20 10 GHCDMN COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185825622 907841220 /nfs/dbraw/zinc/84/12/20/907841220.db2.gz GVVCTEOUYKUALK-YVEFUNNKSA-N 0 1 380.282 3.938 20 10 GHCDMN COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000186049727 907871587 /nfs/dbraw/zinc/87/15/87/907871587.db2.gz NTXXXFFYDLEXFI-GFCCVEGCSA-N 0 1 394.265 3.557 20 10 GHCDMN CN(CCN(C)c1ccc(Nc2ccc3nn[nH]c3c2)cc1)c1ccc(N)cc1 ZINC001176004242 907871546 /nfs/dbraw/zinc/87/15/46/907871546.db2.gz HAECFEAIOGICOU-UHFFFAOYSA-N 0 1 387.491 3.856 20 10 GHCDMN CN(CCN(C)c1ccc(Nc2ccc3n[nH]nc3c2)cc1)c1ccc(N)cc1 ZINC001176004242 907871552 /nfs/dbraw/zinc/87/15/52/907871552.db2.gz HAECFEAIOGICOU-UHFFFAOYSA-N 0 1 387.491 3.856 20 10 GHCDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000192848635 907962780 /nfs/dbraw/zinc/96/27/80/907962780.db2.gz YZVQGFGCBIQWCX-AWEZNQCLSA-N 0 1 394.431 3.990 20 10 GHCDMN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc(F)c(F)c3O)c2)CC1 ZINC000187927491 908156318 /nfs/dbraw/zinc/15/63/18/908156318.db2.gz SIVSFFLVQGNVFG-ZDUSSCGKSA-N 0 1 375.419 3.512 20 10 GHCDMN CN(C)c1ccc(/C=C\CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 ZINC001179332844 909491792 /nfs/dbraw/zinc/49/17/92/909491792.db2.gz HKTGDCBYNOWXON-ZRHASKPBSA-N 0 1 387.886 3.953 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859975 909785371 /nfs/dbraw/zinc/78/53/71/909785371.db2.gz XGTJUBZDKADWMO-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859975 909785383 /nfs/dbraw/zinc/78/53/83/909785383.db2.gz XGTJUBZDKADWMO-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001180353568 910092125 /nfs/dbraw/zinc/09/21/25/910092125.db2.gz LIYPIKKYLWBCST-UHFFFAOYSA-N 0 1 399.510 3.636 20 10 GHCDMN CCN(C)c1ccc(CN(CCO)Cc2cc(Br)cs2)cc1 ZINC000773888894 910470571 /nfs/dbraw/zinc/47/05/71/910470571.db2.gz SCQKWOPATMWTKD-UHFFFAOYSA-N 0 1 383.355 3.961 20 10 GHCDMN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622218 910885583 /nfs/dbraw/zinc/88/55/83/910885583.db2.gz RPQKDWDXGJGLOS-HOCLYGCPSA-N 0 1 382.451 3.893 20 10 GHCDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001182479970 911780530 /nfs/dbraw/zinc/78/05/30/911780530.db2.gz NIUOVVPIFWQJCB-JKSUJKDBSA-N 0 1 381.806 3.712 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001182479970 911780537 /nfs/dbraw/zinc/78/05/37/911780537.db2.gz NIUOVVPIFWQJCB-JKSUJKDBSA-N 0 1 381.806 3.712 20 10 GHCDMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(Br)c1[O-] ZINC000093083944 912052141 /nfs/dbraw/zinc/05/21/41/912052141.db2.gz ZNCLLWUVTFPFKM-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC(C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971013 915311624 /nfs/dbraw/zinc/31/16/24/915311624.db2.gz UNVRIBMSXZAKSC-QFIPXVFZSA-N 0 1 396.531 3.810 20 10 GHCDMN O=S(=O)(Nc1ccc(O)c(Br)c1)c1cnc(Cl)c(Cl)c1 ZINC001188068947 915733193 /nfs/dbraw/zinc/73/31/93/915733193.db2.gz INJIOQNLNQAWON-UHFFFAOYSA-N 0 1 398.065 3.657 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)Cc1cccc(F)c1F ZINC001189469480 916636287 /nfs/dbraw/zinc/63/62/87/916636287.db2.gz QDXZQKXUADMQCL-UHFFFAOYSA-N 0 1 388.395 3.533 20 10 GHCDMN CCOC(=O)[C@H](CCc1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001190445428 917315590 /nfs/dbraw/zinc/31/55/90/917315590.db2.gz HSIRAXIVFSFDES-QHCPKHFHSA-N 0 1 396.531 3.772 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cc(Cl)ccc1[O-] ZINC000775490800 918272641 /nfs/dbraw/zinc/27/26/41/918272641.db2.gz XHBGJRCABQKLSD-IBGZPJMESA-N 0 1 388.895 3.759 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)ccc1[O-] ZINC000775510266 918444383 /nfs/dbraw/zinc/44/43/83/918444383.db2.gz ZDJYNFRZVLBYJP-QMMLZNLJSA-N 0 1 388.939 3.969 20 10 GHCDMN Cc1nc(CN2CC[C@]3(CCCN3Cc3c(O)cccc3Cl)C2=O)cs1 ZINC001275841692 918456314 /nfs/dbraw/zinc/45/63/14/918456314.db2.gz BMVBQSIIRKOMTD-LJQANCHMSA-N 0 1 391.924 3.578 20 10 GHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800841679 920518054 /nfs/dbraw/zinc/51/80/54/920518054.db2.gz KSQGSBYGJKZQRQ-UHFFFAOYSA-N 0 1 383.878 3.697 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000802311548 922007519 /nfs/dbraw/zinc/00/75/19/922007519.db2.gz WRIREYQZWRYSDF-QANKJYHBSA-N 0 1 398.341 3.763 20 10 GHCDMN C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1cc(Br)ccc1O ZINC000903341590 922942763 /nfs/dbraw/zinc/94/27/63/922942763.db2.gz PGGUEYXHKKQYLN-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903435810 923026360 /nfs/dbraw/zinc/02/63/60/923026360.db2.gz SHFVYKHFAVQHRX-YPMHNXCESA-N 0 1 383.279 3.514 20 10 GHCDMN COc1cccc(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000748315082 923568146 /nfs/dbraw/zinc/56/81/46/923568146.db2.gz FGEBWORIRHLCAN-UHFFFAOYSA-N 0 1 395.547 3.599 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276079184 925268342 /nfs/dbraw/zinc/26/83/42/925268342.db2.gz XUVOYPOWQDZEAP-SCLBCKFNSA-N 0 1 381.314 3.520 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCCN(C/C=C\c3ccc(N(C)C)cc3)C2)s1 ZINC000827949138 926374579 /nfs/dbraw/zinc/37/45/79/926374579.db2.gz LFPTWACHGBVVBF-AATOQMJSSA-N 0 1 385.533 3.889 20 10 GHCDMN CCN(CC)c1ccc(CN(C)CC(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000781618170 930908277 /nfs/dbraw/zinc/90/82/77/930908277.db2.gz HUKRUKYFSUFPFH-UHFFFAOYSA-N 0 1 383.536 3.632 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H]3CCc4c3nccc4Cl)cc2F)CC1 ZINC000924762110 931528231 /nfs/dbraw/zinc/52/82/31/931528231.db2.gz XVHRBPGKJZHAND-GOSISDBHSA-N 0 1 375.875 3.612 20 10 GHCDMN COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000797999842 932485081 /nfs/dbraw/zinc/48/50/81/932485081.db2.gz HWLIHXZONAQLLK-INIZCTEOSA-N 0 1 378.472 3.564 20 10 GHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000799738029 933106029 /nfs/dbraw/zinc/10/60/29/933106029.db2.gz RADDCKLJYHTKBL-CABZTGNLSA-N 0 1 393.119 3.917 20 10 GHCDMN COc1ccc(C[N@H+](Cc2cc(OC)c(OC)cc2O)CC2CC2)c(OC)c1 ZINC000799958664 933188349 /nfs/dbraw/zinc/18/83/49/933188349.db2.gz JIQUCSLFXRKNFP-UHFFFAOYSA-N 0 1 387.476 3.839 20 10 GHCDMN CSCc1n[nH]c(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 ZINC001119551594 934366633 /nfs/dbraw/zinc/36/66/33/934366633.db2.gz KHNJMSKDLUVXTO-UHFFFAOYSA-N 0 1 389.912 3.659 20 10 GHCDMN CSCc1nnc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)[nH]1 ZINC001119551594 934366647 /nfs/dbraw/zinc/36/66/47/934366647.db2.gz KHNJMSKDLUVXTO-UHFFFAOYSA-N 0 1 389.912 3.659 20 10 GHCDMN CCC[C@H]1CCC[C@@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124585312 935420366 /nfs/dbraw/zinc/42/03/66/935420366.db2.gz MULUWTSAASJGOH-UGKGYDQZSA-N 0 1 387.568 3.540 20 10 GHCDMN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000828987998 935751493 /nfs/dbraw/zinc/75/14/93/935751493.db2.gz PEBNFZHWAXHPPB-UHFFFAOYSA-N 0 1 376.384 3.514 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cc(C(=O)[O-])ccc1OC ZINC001596354251 983816110 /nfs/dbraw/zinc/81/61/10/983816110.db2.gz GOLORXSNFMCDHO-UHFFFAOYSA-N 0 1 394.265 3.884 20 10 GHCDMN COc1ccc(N2CCC[N@H+]([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)cc1 ZINC001599586049 993614650 /nfs/dbraw/zinc/61/46/50/993614650.db2.gz KDDIGTPKIDEEQF-IBGZPJMESA-N 0 1 392.858 3.826 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001221088154 1032279334 /nfs/dbraw/zinc/27/93/34/1032279334.db2.gz JRXOKXNJLCZAIM-HNNXBMFYSA-N 0 1 379.913 3.743 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190905 1032331121 /nfs/dbraw/zinc/33/11/21/1032331121.db2.gz AEASKZSCQRNXRX-KUHUBIRLSA-N 0 1 395.341 3.829 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(C)c(Br)cc2O)C1=O ZINC001277190905 1032331130 /nfs/dbraw/zinc/33/11/30/1032331130.db2.gz AEASKZSCQRNXRX-KUHUBIRLSA-N 0 1 395.341 3.829 20 10 GHCDMN c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204323252 1032767964 /nfs/dbraw/zinc/76/79/64/1032767964.db2.gz QITWBMLWTMNUOC-WWNPGLIZSA-N 0 1 393.531 3.740 20 10 GHCDMN COCCOc1cccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC001204328605 1032771199 /nfs/dbraw/zinc/77/11/99/1032771199.db2.gz KPEJSQIQXYYXDS-UHFFFAOYSA-N 0 1 395.547 3.634 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)c1cc3ccccc3o1)cc2=O ZINC000047280340 1019985798 /nfs/dbraw/zinc/98/57/98/1019985798.db2.gz YQRDREDIJZQIJC-CYBMUJFWSA-N 0 1 394.431 3.551 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncc4cc(C)ccc4n3)CC2)cc1 ZINC001156260696 1032948037 /nfs/dbraw/zinc/94/80/37/1032948037.db2.gz IOIGTMPQSWXPMY-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN COCCCOc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000796450499 1021198563 /nfs/dbraw/zinc/19/85/63/1021198563.db2.gz NHZYBXRNUMHVTJ-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1c(O)cccc1F ZINC000834513959 1021236496 /nfs/dbraw/zinc/23/64/96/1021236496.db2.gz FNWWVARFGFYERE-UHFFFAOYSA-N 0 1 388.439 3.534 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@H+](Cc4c([O-])cccc4Cl)C3)CC2=O)cc1 ZINC001140338420 1021445076 /nfs/dbraw/zinc/44/50/76/1021445076.db2.gz IWGHGHFUFAQQPL-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c([O-])cccc4Cl)C3)CC2=O)cc1 ZINC001140338420 1021445082 /nfs/dbraw/zinc/44/50/82/1021445082.db2.gz IWGHGHFUFAQQPL-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN CN1Cc2ccccc2CC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1=O ZINC001140465319 1021761456 /nfs/dbraw/zinc/76/14/56/1021761456.db2.gz OBUCEFXGVBHMQX-UHFFFAOYSA-N 0 1 384.907 3.843 20 10 GHCDMN COCCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140468721 1021765499 /nfs/dbraw/zinc/76/54/99/1021765499.db2.gz VPIAVCQHMVABGI-QGZVFWFLSA-N 0 1 398.931 3.894 20 10 GHCDMN COCCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140468721 1021765518 /nfs/dbraw/zinc/76/55/18/1021765518.db2.gz VPIAVCQHMVABGI-QGZVFWFLSA-N 0 1 398.931 3.894 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001140581300 1022001881 /nfs/dbraw/zinc/00/18/81/1022001881.db2.gz OGEZVJIUWQGUHG-YCRPNKLZSA-N 0 1 390.430 3.516 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001140581300 1022001891 /nfs/dbraw/zinc/00/18/91/1022001891.db2.gz OGEZVJIUWQGUHG-YCRPNKLZSA-N 0 1 390.430 3.516 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1Cc1c(O)cc(F)cc1F ZINC001140585723 1022010574 /nfs/dbraw/zinc/01/05/74/1022010574.db2.gz RZNJMYNJYRAQHP-GFCCVEGCSA-N 0 1 392.393 3.795 20 10 GHCDMN CN(C)c1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001140922441 1022889437 /nfs/dbraw/zinc/88/94/37/1022889437.db2.gz QWPONWIBLPLOKT-ACRUOGEOSA-N 0 1 387.911 3.612 20 10 GHCDMN COc1ccc(N2CC[C@@H](NCc3c(F)cccc3Br)C2)cc1 ZINC001203089563 1023390291 /nfs/dbraw/zinc/39/02/91/1023390291.db2.gz IANBFPCSCVTNMP-CYBMUJFWSA-N 0 1 379.273 3.965 20 10 GHCDMN C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756400410 1023629742 /nfs/dbraw/zinc/62/97/42/1023629742.db2.gz KIGXWYDDNNAAGC-HRAATJIYSA-N 0 1 389.490 3.700 20 10 GHCDMN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cc(Br)ccc1[O-] ZINC000756445288 1023654579 /nfs/dbraw/zinc/65/45/79/1023654579.db2.gz MRKGQCIDMPGXQP-GFCCVEGCSA-N 0 1 381.339 3.925 20 10 GHCDMN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000756456682 1023661888 /nfs/dbraw/zinc/66/18/88/1023661888.db2.gz FMDGQKQXQACOEI-CYBMUJFWSA-N 0 1 377.282 3.544 20 10 GHCDMN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000756504681 1023688197 /nfs/dbraw/zinc/68/81/97/1023688197.db2.gz PQGJNJGRPFMHPY-PKOBYXMFSA-N 0 1 382.504 3.742 20 10 GHCDMN COc1cccc2nc(Cl)nc(NCc3ccc(N4CCN(C)CC4)cc3)c21 ZINC001156657262 1033160598 /nfs/dbraw/zinc/16/05/98/1033160598.db2.gz KJOUWODMLARONL-UHFFFAOYSA-N 0 1 397.910 3.656 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc4nc(Cl)cnc4cc3F)cc2)CC1 ZINC001156658465 1033160633 /nfs/dbraw/zinc/16/06/33/1033160633.db2.gz DOIIMZRSLKOXRS-UHFFFAOYSA-N 0 1 385.874 3.786 20 10 GHCDMN C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc(Cl)ccc1[O-] ZINC000756707776 1023783060 /nfs/dbraw/zinc/78/30/60/1023783060.db2.gz YDVMHCNZRPRTOP-NSHDSACASA-N 0 1 397.700 3.889 20 10 GHCDMN C[C@@H](Nc1ccc(OCC(N)=O)cc1)c1cc(Br)cc(Cl)c1O ZINC000756801633 1023820164 /nfs/dbraw/zinc/82/01/64/1023820164.db2.gz BIGGYYKNGSTGBW-SECBINFHSA-N 0 1 399.672 3.845 20 10 GHCDMN COC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)[C@H](c2ccccc2)C1 ZINC001141144600 1023963097 /nfs/dbraw/zinc/96/30/97/1023963097.db2.gz IENLKLFNVUZEJS-CTNGQTDRSA-N 0 1 380.488 3.642 20 10 GHCDMN Cc1csc([C@@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000830545028 1023978959 /nfs/dbraw/zinc/97/89/59/1023978959.db2.gz VSVCKWGDZXZHCS-XJKSGUPXSA-N 0 1 393.940 3.695 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001138127179 1024172962 /nfs/dbraw/zinc/17/29/62/1024172962.db2.gz RIEXIBNURJSFJB-FQEVSTJZSA-N 0 1 391.437 3.660 20 10 GHCDMN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138218503 1024389006 /nfs/dbraw/zinc/38/90/06/1024389006.db2.gz JISSZEXNCLYLHB-UHFFFAOYSA-N 0 1 381.568 3.729 20 10 GHCDMN CCN(CC)c1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)c(OC)c1 ZINC001138388437 1024763042 /nfs/dbraw/zinc/76/30/42/1024763042.db2.gz XJDOJLAMLCANDT-UHFFFAOYSA-N 0 1 399.583 3.594 20 10 GHCDMN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374482 1024767709 /nfs/dbraw/zinc/76/77/09/1024767709.db2.gz JOPOITCRQYQEGS-NSHDSACASA-N 0 1 390.705 3.973 20 10 GHCDMN NC(=O)CC1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838795423 1025372023 /nfs/dbraw/zinc/37/20/23/1025372023.db2.gz JDNISUWICXNZKJ-UHFFFAOYSA-N 0 1 394.357 3.527 20 10 GHCDMN CCc1nc([C@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)n[nH]1 ZINC000838984143 1025500958 /nfs/dbraw/zinc/50/09/58/1025500958.db2.gz DSMGIOLHIJJSDZ-ZDUSSCGKSA-N 0 1 392.345 3.971 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001139129663 1025941794 /nfs/dbraw/zinc/94/17/94/1025941794.db2.gz BWFQIVKMNMXFDQ-UHFFFAOYSA-N 0 1 390.480 3.542 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc4[nH]c(C)cc4n3)CC2)cc1 ZINC001164327162 1026485575 /nfs/dbraw/zinc/48/55/75/1026485575.db2.gz CZVRVPRQKNERBB-UHFFFAOYSA-N 0 1 379.508 3.504 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682783 1026537102 /nfs/dbraw/zinc/53/71/02/1026537102.db2.gz CCWLCPNGZDXQDS-QFIPXVFZSA-N 0 1 384.426 3.571 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682355 1026537754 /nfs/dbraw/zinc/53/77/54/1026537754.db2.gz XFYUHSZBCQQHMF-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682355 1026537760 /nfs/dbraw/zinc/53/77/60/1026537760.db2.gz XFYUHSZBCQQHMF-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683912 1026538874 /nfs/dbraw/zinc/53/88/74/1026538874.db2.gz NWVOFRBXBHPXJB-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683912 1026538880 /nfs/dbraw/zinc/53/88/80/1026538880.db2.gz NWVOFRBXBHPXJB-UHFFFAOYSA-N 0 1 396.441 3.791 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC001140100972 1026878861 /nfs/dbraw/zinc/87/88/61/1026878861.db2.gz GKVYYLRPEGKXNI-GFCCVEGCSA-N 0 1 385.302 3.596 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001203568778 1027439585 /nfs/dbraw/zinc/43/95/85/1027439585.db2.gz WWTYHYDTHXAVBC-AWEZNQCLSA-N 0 1 391.103 3.672 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001203568778 1027439597 /nfs/dbraw/zinc/43/95/97/1027439597.db2.gz WWTYHYDTHXAVBC-AWEZNQCLSA-N 0 1 391.103 3.672 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001203575300 1027443733 /nfs/dbraw/zinc/44/37/33/1027443733.db2.gz JQVBNIBLMCORLG-BETUJISGSA-N 0 1 384.332 3.719 20 10 GHCDMN CCOc1cccc(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1O ZINC001203608489 1027473356 /nfs/dbraw/zinc/47/33/56/1027473356.db2.gz RBJTYMWDFKRWPN-WMZHIEFXSA-N 0 1 398.503 3.636 20 10 GHCDMN CCCc1noc(C2CCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC001203645379 1027502148 /nfs/dbraw/zinc/50/21/48/1027502148.db2.gz FTGQZLRDHLUMMN-UHFFFAOYSA-N 0 1 380.286 3.870 20 10 GHCDMN COC[C@@H]1CN(Cc2cc(OC)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203670972 1027522119 /nfs/dbraw/zinc/52/21/19/1027522119.db2.gz HDXDMVFBHWMDHU-IBGZPJMESA-N 0 1 385.508 3.533 20 10 GHCDMN CN(C)c1ccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc1 ZINC001203933516 1027728043 /nfs/dbraw/zinc/72/80/43/1027728043.db2.gz OETGOENHBKAROC-UHFFFAOYSA-N 0 1 390.531 3.931 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cc(Br)ccc1[O-] ZINC000840807818 1027847275 /nfs/dbraw/zinc/84/72/75/1027847275.db2.gz CICFVUYHRAHZOS-KBXCAEBGSA-N 0 1 394.309 3.980 20 10 GHCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000840998727 1028031213 /nfs/dbraw/zinc/03/12/13/1028031213.db2.gz PPWZXWHEMMVQOC-SFHVURJKSA-N 0 1 381.314 3.736 20 10 GHCDMN C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000841756195 1028914287 /nfs/dbraw/zinc/91/42/87/1028914287.db2.gz UVFXRZYKLKITRQ-QFYYESIMSA-N 0 1 384.259 3.854 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001142512732 1029015429 /nfs/dbraw/zinc/01/54/29/1029015429.db2.gz JKCNYLHEYMJLCY-PZJWPPBQSA-N 0 1 390.430 3.516 20 10 GHCDMN CC(C)(C)c1cccc(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1O ZINC001143112262 1029848999 /nfs/dbraw/zinc/84/89/99/1029848999.db2.gz NGKXBIGSUWWMRG-UHFFFAOYSA-N 0 1 394.441 3.821 20 10 GHCDMN CC(C)Oc1ccccc1-c1noc(-c2cc3cc(O)c(O)cc3oc2=O)n1 ZINC001217554255 1030487966 /nfs/dbraw/zinc/48/79/66/1030487966.db2.gz RFFPZGYCRLWZHB-UHFFFAOYSA-N 0 1 380.356 3.708 20 10 GHCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Cl)cc(OC)c1O ZINC001277067333 1031567631 /nfs/dbraw/zinc/56/76/31/1031567631.db2.gz YWUHXYGGCHSQRD-XOBRGWDASA-N 0 1 380.916 3.810 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1NCCc2cc(F)ccc21 ZINC001157435434 1033587376 /nfs/dbraw/zinc/58/73/76/1033587376.db2.gz SMCJDCRMTKEVKI-TZIWHRDSSA-N 0 1 382.479 3.775 20 10 GHCDMN COc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157436163 1033588651 /nfs/dbraw/zinc/58/86/51/1033588651.db2.gz ZYRAPAMKUJOASW-RBBKRZOGSA-N 0 1 394.515 3.644 20 10 GHCDMN COc1cc(O)c2c(=O)c(OC3CC=CC3)c(-c3ccc(O)c(O)c3)oc2c1 ZINC001229795668 1033722229 /nfs/dbraw/zinc/72/22/29/1033722229.db2.gz QOMKFTAQNTZCDM-UHFFFAOYSA-N 0 1 382.368 3.683 20 10 GHCDMN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3O)C2)C1=O ZINC001277426863 1033765154 /nfs/dbraw/zinc/76/51/54/1033765154.db2.gz KTGZIEIUUKEEOI-LJQANCHMSA-N 0 1 395.341 3.688 20 10 GHCDMN C[N@@H+](CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001206349661 1033807440 /nfs/dbraw/zinc/80/74/40/1033807440.db2.gz BVTWCRJGSDHHNM-UHFFFAOYSA-N 0 1 397.700 3.556 20 10 GHCDMN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN1CCCc2cc(O)c(O)cc2C1 ZINC001207320098 1034269282 /nfs/dbraw/zinc/26/92/82/1034269282.db2.gz UVLGZZUEIYHRMH-QGZVFWFLSA-N 0 1 376.497 3.636 20 10 GHCDMN COc1ccc(C2=NO[C@@H](C[NH2+]Cc3c([O-])cc(C)cc3Cl)C2)cc1F ZINC001207402514 1034343823 /nfs/dbraw/zinc/34/38/23/1034343823.db2.gz BNSGWSBTTDTYOV-CYBMUJFWSA-N 0 1 378.831 3.785 20 10 GHCDMN C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C(=O)[O-])cc1O)[C@@H]1CN2CCC1CC2 ZINC001231454585 1034599004 /nfs/dbraw/zinc/59/90/04/1034599004.db2.gz RXJPCMRCXDNFHJ-IIBYNOLFSA-N 0 1 380.488 3.748 20 10 GHCDMN Oc1c(F)c(F)ccc1CNc1nc2ccccc2n1CCCn1ccnc1 ZINC001207872606 1034632543 /nfs/dbraw/zinc/63/25/43/1034632543.db2.gz GFUXQOYHTRTVOR-UHFFFAOYSA-N 0 1 383.402 3.919 20 10 GHCDMN COc1ccc(Br)c(CN2CCN(C)[C@H](c3ccccc3)C2)c1O ZINC001231553598 1034705337 /nfs/dbraw/zinc/70/53/37/1034705337.db2.gz ZGVGMGBXXGVLMU-KRWDZBQOSA-N 0 1 391.309 3.652 20 10 GHCDMN O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC001231589178 1034743914 /nfs/dbraw/zinc/74/39/14/1034743914.db2.gz XTYDEQVQSHHKIS-XLIONFOSSA-N 0 1 376.456 3.875 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001231854656 1034944531 /nfs/dbraw/zinc/94/45/31/1034944531.db2.gz JXPJNNKAHGWBQJ-INIZCTEOSA-N 0 1 377.529 3.593 20 10 GHCDMN CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231868907 1034955368 /nfs/dbraw/zinc/95/53/68/1034955368.db2.gz YZHZVTHZPNJHMX-UHFFFAOYSA-N 0 1 388.943 3.686 20 10 GHCDMN COc1ccc(N2C[C@]3(CC[N@@H+](Cc4cccc(Cl)c4[O-])C3)CC2=O)cc1 ZINC001231909473 1034984196 /nfs/dbraw/zinc/98/41/96/1034984196.db2.gz FHGLVYJKFDQEPW-OAQYLSRUSA-N 0 1 386.879 3.683 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001231910907 1034985376 /nfs/dbraw/zinc/98/53/76/1034985376.db2.gz ZAECASOSYKAAOH-MISYRCLQSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001231911169 1034985511 /nfs/dbraw/zinc/98/55/11/1034985511.db2.gz DUCTYANVRBZTGS-ZSZQSSIHSA-N 0 1 394.924 3.698 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4[O-])C3)C2)n1 ZINC001231911837 1034987096 /nfs/dbraw/zinc/98/70/96/1034987096.db2.gz QXUQIPCTQQMQGI-NQIIRXRSSA-N 0 1 388.895 3.699 20 10 GHCDMN CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232201803 1035158980 /nfs/dbraw/zinc/15/89/80/1035158980.db2.gz MSKWJOIXCBKHEN-KRWDZBQOSA-N 0 1 394.943 3.730 20 10 GHCDMN Cc1ccc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)nc1 ZINC001232201979 1035158993 /nfs/dbraw/zinc/15/89/93/1035158993.db2.gz RXTCTYDCARMPCD-GOSISDBHSA-N 0 1 387.911 3.533 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC001462084949 1069986063 /nfs/dbraw/zinc/98/60/63/1069986063.db2.gz IGLUSGZKLOCXEE-GFCCVEGCSA-N 0 1 384.701 3.749 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@@H]2C1 ZINC001232258654 1037981387 /nfs/dbraw/zinc/98/13/87/1037981387.db2.gz BUBGPNSDNAKAMX-OKILXGFUSA-N 0 1 396.915 3.830 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(Cl)c([O-])cc3O)CC[C@@H]2C1 ZINC001232258654 1037981388 /nfs/dbraw/zinc/98/13/88/1037981388.db2.gz BUBGPNSDNAKAMX-OKILXGFUSA-N 0 1 396.915 3.830 20 10 GHCDMN COc1cc(O)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1Cl ZINC001232265478 1037986322 /nfs/dbraw/zinc/98/63/22/1037986322.db2.gz MDENAEFHGWLHMX-LJQANCHMSA-N 0 1 392.908 3.745 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1Cl ZINC001232265478 1037986325 /nfs/dbraw/zinc/98/63/25/1037986325.db2.gz MDENAEFHGWLHMX-LJQANCHMSA-N 0 1 392.908 3.745 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1Cl ZINC001232265478 1037986335 /nfs/dbraw/zinc/98/63/35/1037986335.db2.gz MDENAEFHGWLHMX-LJQANCHMSA-N 0 1 392.908 3.745 20 10 GHCDMN COc1cc(O)c(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1Cl ZINC001232266725 1037987875 /nfs/dbraw/zinc/98/78/75/1037987875.db2.gz RVIKABLEAOOSSR-GJZGRUSLSA-N 0 1 382.888 3.638 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)c2)nc1C ZINC001232453024 1038235928 /nfs/dbraw/zinc/23/59/28/1038235928.db2.gz DNESMMUIYBOKMH-BPUTZDHNSA-N 0 1 390.480 3.933 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)c2)nc1C ZINC001232453024 1038235939 /nfs/dbraw/zinc/23/59/39/1038235939.db2.gz DNESMMUIYBOKMH-BPUTZDHNSA-N 0 1 390.480 3.933 20 10 GHCDMN C[N@H+](CCc1ccccc1F)Cc1ccc(I)cc1[O-] ZINC001232977756 1038747316 /nfs/dbraw/zinc/74/73/16/1038747316.db2.gz KYVIEMRPAWQYMH-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN C[N@@H+](CCc1ccccc1F)Cc1ccc(I)cc1[O-] ZINC001232977756 1038747324 /nfs/dbraw/zinc/74/73/24/1038747324.db2.gz KYVIEMRPAWQYMH-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN Oc1cc2c(cc1O)CN(Cc1c(O)cc(Br)cc1F)CCC2 ZINC001233030154 1038781524 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GHCDMN OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319706785 1055415271 /nfs/dbraw/zinc/41/52/71/1055415271.db2.gz DEGLECBOLSUIER-HSZRJFAPSA-N 0 1 399.966 3.791 20 10 GHCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001323451310 1056971956 /nfs/dbraw/zinc/97/19/56/1056971956.db2.gz FNIOHDCXGXXBBQ-AWEZNQCLSA-N 0 1 393.119 3.512 20 10 GHCDMN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001324574680 1057167956 /nfs/dbraw/zinc/16/79/56/1057167956.db2.gz FTWGODMVLFKNPO-CYBMUJFWSA-N 0 1 389.757 3.572 20 10 GHCDMN CC[C@@H]1CCCC[C@@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001356065389 1057374824 /nfs/dbraw/zinc/37/48/24/1057374824.db2.gz LYEFAKOEHSIZJN-KNQAVFIVSA-N 0 1 387.568 3.540 20 10 GHCDMN CCOCCCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001445880243 1059645072 /nfs/dbraw/zinc/64/50/72/1059645072.db2.gz FYKNWXRKRMRMCU-GOSISDBHSA-N 0 1 382.932 3.723 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nnc(C(F)F)n2c1 ZINC001347505433 1062446741 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CCN1CCN(c2ccc(CNC(=O)c3coc4ccccc34)cc2F)CC1 ZINC000733218959 862800809 /nfs/dbraw/zinc/80/08/09/862800809.db2.gz JBQZWQYDTSKJBG-UHFFFAOYSA-N 0 1 381.451 3.644 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(Br)cc1[O-] ZINC000281468349 863049528 /nfs/dbraw/zinc/04/95/28/863049528.db2.gz FCFYOMPMARRAEZ-LLVKDONJSA-N 0 1 382.327 3.931 20 10 GHCDMN Cc1cc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)n(C(C)(C)C)n1 ZINC000733610356 863061683 /nfs/dbraw/zinc/06/16/83/863061683.db2.gz ULWLBHUTPMATOG-UHFFFAOYSA-N 0 1 385.556 3.862 20 10 GHCDMN COc1cc(C)cc(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1O ZINC000895290540 859042004 /nfs/dbraw/zinc/04/20/04/859042004.db2.gz KZWFIVMCGBAZDP-QFIPXVFZSA-N 0 1 399.535 3.915 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)c1O ZINC000761196054 859084861 /nfs/dbraw/zinc/08/48/61/859084861.db2.gz UQHGJXNECHXVQQ-GOSISDBHSA-N 0 1 388.895 3.839 20 10 GHCDMN Fc1cc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1N1CCOCC1 ZINC000896227647 860555562 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CCN1CCN(c2ccc(CNC(=O)c3cc4cccc(F)c4o3)cc2F)CC1 ZINC000741926676 866911434 /nfs/dbraw/zinc/91/14/34/866911434.db2.gz JBHIOFYRYIZVAR-UHFFFAOYSA-N 0 1 399.441 3.783 20 10 GHCDMN C[C@H]1CCCN(c2ccc(CNCc3ccc(C(=O)N(C)C)[nH]3)cc2Cl)C1 ZINC000282107347 882081487 /nfs/dbraw/zinc/08/14/87/882081487.db2.gz TUWSWBCUYXDBNY-HNNXBMFYSA-N 0 1 388.943 3.896 20 10 GHCDMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000743405256 868183511 /nfs/dbraw/zinc/18/35/11/868183511.db2.gz GBWQWBLPGVMUJD-QHCPKHFHSA-N 0 1 388.552 3.829 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000743853854 868453680 /nfs/dbraw/zinc/45/36/80/868453680.db2.gz GTZOAWWRSQXSMR-QHCPKHFHSA-N 0 1 394.563 3.614 20 10 GHCDMN CCN(CC(=O)N(C)c1ccccc1)Cc1cc(Br)ccc1O ZINC000743871199 868468085 /nfs/dbraw/zinc/46/80/85/868468085.db2.gz WKRRXBOTNVBPPJ-UHFFFAOYSA-N 0 1 377.282 3.640 20 10 GHCDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000793612236 882329959 /nfs/dbraw/zinc/32/99/59/882329959.db2.gz SDIUFWOXIKHEAW-DYVFJYSZSA-N 0 1 392.293 3.665 20 10 GHCDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000746027170 869955099 /nfs/dbraw/zinc/95/50/99/869955099.db2.gz WYYGDLIOHNUHLE-UHFFFAOYSA-N 0 1 396.531 3.758 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000920957602 882473199 /nfs/dbraw/zinc/47/31/99/882473199.db2.gz XUTCUHGHPUOLKK-DHIFYFQBSA-N 0 1 393.443 3.528 20 10 GHCDMN Cn1nc(Br)c2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc21 ZINC001193625753 871196005 /nfs/dbraw/zinc/19/60/05/871196005.db2.gz SDIJDBDFGLSBQK-UHFFFAOYSA-N 0 1 396.628 3.653 20 10 GHCDMN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(O)c(O)c(Cl)c1 ZINC001193633660 871200906 /nfs/dbraw/zinc/20/09/06/871200906.db2.gz DJHABUBPYDOKAR-LBPRGKRZSA-N 0 1 376.623 3.521 20 10 GHCDMN CCn1ncc(C)c1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000618438434 871606759 /nfs/dbraw/zinc/60/67/59/871606759.db2.gz NUIDRNSMKNNBIO-UHFFFAOYSA-N 0 1 379.508 3.571 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)ccc21 ZINC000525963278 871806869 /nfs/dbraw/zinc/80/68/69/871806869.db2.gz OMMJZXIZRVBTMA-UHFFFAOYSA-N 0 1 389.459 3.942 20 10 GHCDMN CN(C)c1ccc([C@H](CN[C@H]2CCCc3c[nH]nc32)NC(=O)OC(C)(C)C)cc1 ZINC000857863065 882597060 /nfs/dbraw/zinc/59/70/60/882597060.db2.gz PQPRFEDRHDROEV-OALUTQOASA-N 0 1 399.539 3.709 20 10 GHCDMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775653662 872367684 /nfs/dbraw/zinc/36/76/84/872367684.db2.gz MBZYGIAJKCLCAK-CYBMUJFWSA-N 0 1 377.847 3.739 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1)c1cc(Br)c(Cl)cc1F ZINC001195409476 872369599 /nfs/dbraw/zinc/36/95/99/872369599.db2.gz ZEZVXXLGZNJLAI-UHFFFAOYSA-N 0 1 380.622 3.748 20 10 GHCDMN C[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Br)cc1O ZINC000857875368 882603686 /nfs/dbraw/zinc/60/36/86/882603686.db2.gz LPAYJALPEDUCBQ-APPDUMDISA-N 0 1 375.266 3.519 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nn2cnc3ccccc32)C1 ZINC000767488781 872572013 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CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000527995665 873865092 /nfs/dbraw/zinc/86/50/92/873865092.db2.gz AUGNJVKGRMNLHQ-ZBFHGGJFSA-N 0 1 375.266 3.759 20 10 GHCDMN CCCN(CCC)c1ccc(CN2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000769388795 874016053 /nfs/dbraw/zinc/01/60/53/874016053.db2.gz HNOZPINYGXUDLK-UHFFFAOYSA-N 0 1 395.613 3.559 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1[O-] ZINC000769500293 874106007 /nfs/dbraw/zinc/10/60/07/874106007.db2.gz UQKOBPGVNRGAEA-HNNXBMFYSA-N 0 1 376.840 3.993 20 10 GHCDMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2nccnc2c1 ZINC001198144150 874244405 /nfs/dbraw/zinc/24/44/05/874244405.db2.gz GMDHMLKPSVNGEG-UHFFFAOYSA-N 0 1 389.436 3.662 20 10 GHCDMN CCOC(=O)c1sc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775837424 874331693 /nfs/dbraw/zinc/33/16/93/874331693.db2.gz SMLSZUUIWHUJNW-CQSZACIVSA-N 0 1 389.521 3.589 20 10 GHCDMN CCCCNC(=O)c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858097450 882842380 /nfs/dbraw/zinc/84/23/80/882842380.db2.gz MWNABFHVIDPLHF-UHFFFAOYSA-N 0 1 391.309 3.974 20 10 GHCDMN CCOc1ccc(O)c(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000770312918 874590912 /nfs/dbraw/zinc/59/09/12/874590912.db2.gz RKNLEXJYVGTPND-GOSISDBHSA-N 0 1 394.471 3.932 20 10 GHCDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770378095 874618814 /nfs/dbraw/zinc/61/88/14/874618814.db2.gz GRVMBTIQEJBFIZ-RISCZKNCSA-N 0 1 399.875 3.831 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2cc[nH]c2c1 ZINC000771067622 875019916 /nfs/dbraw/zinc/01/99/16/875019916.db2.gz VAJYCBDOLDVYDZ-SFHVURJKSA-N 0 1 383.879 3.921 20 10 GHCDMN Cc1ccc(OC(F)F)c(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC001199721144 875145154 /nfs/dbraw/zinc/14/51/54/875145154.db2.gz FNSYBGXVWUNAHY-UHFFFAOYSA-N 0 1 394.437 3.986 20 10 GHCDMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000528860599 875162967 /nfs/dbraw/zinc/16/29/67/875162967.db2.gz IPKFNUSNQPFXSU-RHSMWYFYSA-N 0 1 376.884 3.913 20 10 GHCDMN COc1ccc(N2CC[C@@H](CNCc3ncc(Br)cc3F)C2)cc1 ZINC000858183035 882917158 /nfs/dbraw/zinc/91/71/58/882917158.db2.gz QRPVQYQBIGSSDQ-ZDUSSCGKSA-N 0 1 394.288 3.608 20 10 GHCDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000771791307 875462757 /nfs/dbraw/zinc/46/27/57/875462757.db2.gz MPHLYAMTFIEACH-UHFFFAOYSA-N 0 1 384.480 3.818 20 10 GHCDMN NC(=O)C[C@@H](NCc1c(O)cccc1Br)c1cccc(Cl)c1 ZINC001201733779 875856610 /nfs/dbraw/zinc/85/66/10/875856610.db2.gz BCLVMAFDTSLFHC-CQSZACIVSA-N 0 1 383.673 3.514 20 10 GHCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000858353849 883044525 /nfs/dbraw/zinc/04/45/25/883044525.db2.gz MRSJZFJRYDFUKX-SFHVURJKSA-N 0 1 376.504 3.775 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(Cc3ccco3)C2)C1 ZINC000529861440 876761525 /nfs/dbraw/zinc/76/15/25/876761525.db2.gz CAAFMTGGUDNKJN-UHFFFAOYSA-N 0 1 391.515 3.702 20 10 GHCDMN Oc1cccc(Cl)c1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786578260 876768556 /nfs/dbraw/zinc/76/85/56/876768556.db2.gz FOJQJDPSHQYFDM-UHFFFAOYSA-N 0 1 392.834 3.628 20 10 GHCDMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000786726781 876889778 /nfs/dbraw/zinc/88/97/78/876889778.db2.gz LQKPFSBBXIIEOL-UHFFFAOYSA-N 0 1 397.468 3.789 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3nnn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000850487089 876960941 /nfs/dbraw/zinc/96/09/41/876960941.db2.gz FJBFDGCVNRSUMI-QAPCUYQASA-N 0 1 395.482 3.653 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ncc(Br)cc3F)C2)cc1 ZINC000850487454 876962128 /nfs/dbraw/zinc/96/21/28/876962128.db2.gz HBCFIEOUAXZZFJ-GXTWGEPZSA-N 0 1 394.288 3.921 20 10 GHCDMN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850558326 877026063 /nfs/dbraw/zinc/02/60/63/877026063.db2.gz QFMGDKNXFCVWKN-DOMZBBRYSA-N 0 1 383.330 3.842 20 10 GHCDMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCCCC2)cc1 ZINC000786964231 877052690 /nfs/dbraw/zinc/05/26/90/877052690.db2.gz VZWSPQOIDIMEDD-HNNXBMFYSA-N 0 1 378.563 3.993 20 10 GHCDMN CC1(N2CCOCC2)CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000530106139 877105175 /nfs/dbraw/zinc/10/51/75/877105175.db2.gz VRYFWGNIWMEHOM-UHFFFAOYSA-N 0 1 384.520 3.704 20 10 GHCDMN C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cc(Br)ccc1[O-] ZINC000858453595 883111049 /nfs/dbraw/zinc/11/10/49/883111049.db2.gz XPBALEWXKWQPAS-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN Cc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(C)n1-c1ccccc1C ZINC000787679693 877551652 /nfs/dbraw/zinc/55/16/52/877551652.db2.gz XCBIXZPEBATHED-LJQANCHMSA-N 0 1 395.547 3.728 20 10 GHCDMN Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000180614859 879085276 /nfs/dbraw/zinc/08/52/76/879085276.db2.gz AUQNHZRGMKSOJJ-UHFFFAOYSA-N 0 1 388.103 3.888 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000853544412 879101563 /nfs/dbraw/zinc/10/15/63/879101563.db2.gz UGKHMBMXLRECDF-JOCHJYFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000853544412 879101575 /nfs/dbraw/zinc/10/15/75/879101575.db2.gz UGKHMBMXLRECDF-JOCHJYFZSA-N 0 1 398.478 3.513 20 10 GHCDMN CCS[C@H](C)c1noc(CN(C)Cc2cccc(Br)c2O)n1 ZINC000180740680 879282392 /nfs/dbraw/zinc/28/23/92/879282392.db2.gz YRAUIHIBONMOHW-SNVBAGLBSA-N 0 1 386.315 3.984 20 10 GHCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000790067785 879441392 /nfs/dbraw/zinc/44/13/92/879441392.db2.gz DKIODOISFFRAGM-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c(O)c1 ZINC000792188340 880976466 /nfs/dbraw/zinc/97/64/66/880976466.db2.gz ODPRPEYDUZIEOM-HSZRJFAPSA-N 0 1 395.503 3.743 20 10 GHCDMN O=C(NCc1ccc(-n2cccn2)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804959201 883513668 /nfs/dbraw/zinc/51/36/68/883513668.db2.gz FEWDITGMEKFSNS-UHFFFAOYSA-N 0 1 391.258 3.884 20 10 GHCDMN C[C@H]1Cc2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3O)ccc2O1 ZINC000805134847 883615259 /nfs/dbraw/zinc/61/52/59/883615259.db2.gz KYCXHLUCDAGUFC-VIFPVBQESA-N 0 1 388.272 3.501 20 10 GHCDMN CSc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135677 883616556 /nfs/dbraw/zinc/61/65/56/883616556.db2.gz QERIYCOBVYQOLS-UHFFFAOYSA-N 0 1 378.302 3.899 20 10 GHCDMN CCc1nn(C)c(CC)c1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805229767 883678073 /nfs/dbraw/zinc/67/80/73/883678073.db2.gz DWHCRZCEWCONGR-UHFFFAOYSA-N 0 1 385.295 3.557 20 10 GHCDMN Cn1cc([C@@H](NCc2cc(Br)ccc2O)c2ccc(F)cc2)cn1 ZINC000187515542 883798086 /nfs/dbraw/zinc/79/80/86/883798086.db2.gz FJMIQMUYAYWPBK-SFHVURJKSA-N 0 1 390.256 3.907 20 10 GHCDMN CCCCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275236016 912765783 /nfs/dbraw/zinc/76/57/83/912765783.db2.gz HMJYHHRCTZGBAU-IBGZPJMESA-N 0 1 399.318 3.840 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(Br)ccc2O)C1=O ZINC001275242528 912805904 /nfs/dbraw/zinc/80/59/04/912805904.db2.gz VXNIIGHVDDNBKO-SCLBCKFNSA-N 0 1 381.314 3.520 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000806131498 884349668 /nfs/dbraw/zinc/34/96/68/884349668.db2.gz KGFBHDAOLNSCPD-IBGZPJMESA-N 0 1 388.943 3.823 20 10 GHCDMN C[C@H]1Oc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2NC1=O ZINC000806176998 884398160 /nfs/dbraw/zinc/39/81/60/884398160.db2.gz RJOJPMQOIRLEGW-MRVPVSSYSA-N 0 1 396.230 3.740 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000914688521 884513170 /nfs/dbraw/zinc/51/31/70/884513170.db2.gz SXSSXFMJRLGNJY-OAQYLSRUSA-N 0 1 399.510 3.560 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2cnc3n2CCOC3)cc1 ZINC000898271474 884689381 /nfs/dbraw/zinc/68/93/81/884689381.db2.gz ANYOZWOIXGMFQU-UHFFFAOYSA-N 0 1 376.504 3.730 20 10 GHCDMN Cc1ncsc1CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000556406486 884797840 /nfs/dbraw/zinc/79/78/40/884797840.db2.gz KDOHSRIKCNSBLN-UHFFFAOYSA-N 0 1 396.560 3.532 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761996795 885129125 /nfs/dbraw/zinc/12/91/25/885129125.db2.gz YUEYYQVJDUNMMP-UHFFFAOYSA-N 0 1 386.813 3.542 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000807835960 885800574 /nfs/dbraw/zinc/80/05/74/885800574.db2.gz CSFJGGCRUAIZRM-UHFFFAOYSA-N 0 1 385.213 3.590 20 10 GHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)c1ccccc1 ZINC000807837590 885802651 /nfs/dbraw/zinc/80/26/51/885802651.db2.gz WTNFOAZAACCKDZ-NSHDSACASA-N 0 1 381.259 3.524 20 10 GHCDMN Cc1cccc(-n2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nn2)c1 ZINC000807839337 885806334 /nfs/dbraw/zinc/80/63/34/885806334.db2.gz CDCBXBJCQHXSQC-UHFFFAOYSA-N 0 1 377.231 3.518 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2ccc(N3CCCC3)nc2)ccc1N1CCCCC1 ZINC000915227749 886068683 /nfs/dbraw/zinc/06/86/83/886068683.db2.gz ZFKCRJOUMXTQDJ-UHFFFAOYSA-N 0 1 395.507 3.870 20 10 GHCDMN Cc1c(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)ccnc1F ZINC000862273495 886270947 /nfs/dbraw/zinc/27/09/47/886270947.db2.gz IGINTFMHHWJZNW-UHFFFAOYSA-N 0 1 383.389 3.674 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000862329374 886294088 /nfs/dbraw/zinc/29/40/88/886294088.db2.gz XHJLDPBZCTWGRY-UHFFFAOYSA-N 0 1 394.284 3.863 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000862354554 886315056 /nfs/dbraw/zinc/31/50/56/886315056.db2.gz BCKRTXFRIWXYKU-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000862354554 886315069 /nfs/dbraw/zinc/31/50/69/886315069.db2.gz BCKRTXFRIWXYKU-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)c2)CC1 ZINC000808554558 886473220 /nfs/dbraw/zinc/47/32/20/886473220.db2.gz DHDCGUSKFLCNIY-UHFFFAOYSA-N 0 1 395.475 3.567 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000862961350 886786425 /nfs/dbraw/zinc/78/64/25/886786425.db2.gz WQHBSABBZJHHPF-UHFFFAOYSA-N 0 1 395.547 3.729 20 10 GHCDMN COC(=O)c1ccc(CNCc2c(O)cccc2Cl)c(Br)c1 ZINC000809753574 887792470 /nfs/dbraw/zinc/79/24/70/887792470.db2.gz LJAQODDEBSWWAG-UHFFFAOYSA-N 0 1 384.657 3.885 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225410 888301449 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377.370 3.628 20 10 GHCDMN C[C@@H](NC[C@@H](n1cncn1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866434429 888874616 /nfs/dbraw/zinc/87/46/16/888874616.db2.gz TWQXCLUHHBUNLJ-CXAGYDPISA-N 0 1 385.409 3.862 20 10 GHCDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000121864320 889186591 /nfs/dbraw/zinc/18/65/91/889186591.db2.gz LGKIDLXOMSVGDA-CQSZACIVSA-N 0 1 392.450 3.842 20 10 GHCDMN Cc1cc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000811788081 890000246 /nfs/dbraw/zinc/00/02/46/890000246.db2.gz YQGBPOIMTAOGBV-AWEZNQCLSA-N 0 1 386.458 3.889 20 10 GHCDMN Cc1cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000811788081 890000261 /nfs/dbraw/zinc/00/02/61/890000261.db2.gz YQGBPOIMTAOGBV-AWEZNQCLSA-N 0 1 386.458 3.889 20 10 GHCDMN COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917075054 890972970 /nfs/dbraw/zinc/97/29/70/890972970.db2.gz OYNFPPKGTLXLIK-UHFFFAOYSA-N 0 1 383.536 3.630 20 10 GHCDMN COc1cccc(CN(C)C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000917075054 890972980 /nfs/dbraw/zinc/97/29/80/890972980.db2.gz OYNFPPKGTLXLIK-UHFFFAOYSA-N 0 1 383.536 3.630 20 10 GHCDMN C[C@H](NCc1ccc2oc(=O)[nH]c2c1)c1ccc(N2CCOCC2)cc1Cl ZINC000872122330 891168937 /nfs/dbraw/zinc/16/89/37/891168937.db2.gz DULBDFCSNRYGNA-ZDUSSCGKSA-N 0 1 387.867 3.874 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000917207964 891574344 /nfs/dbraw/zinc/57/43/44/891574344.db2.gz SJRIHSPOOLCZTG-INIZCTEOSA-N 0 1 387.911 3.888 20 10 GHCDMN CC[N@@H+](Cc1ccccc1C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000917436046 891958884 /nfs/dbraw/zinc/95/88/84/891958884.db2.gz DGSBIRPHNUYZPK-UHFFFAOYSA-N 0 1 396.531 3.758 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)c2C)cc1 ZINC000814650914 893004590 /nfs/dbraw/zinc/00/45/90/893004590.db2.gz TUNMEQITINAMAF-UHFFFAOYSA-N 0 1 388.431 3.535 20 10 GHCDMN c1cc(CNCc2ccc(N3CCCCC3)cc2)c(OC[C@@H]2CCOC2)cn1 ZINC000288413114 913759598 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/nfs/dbraw/zinc/53/47/83/898534783.db2.gz BDABGBUOEIJWPL-WBVHZDCISA-N 0 1 396.000 3.630 20 10 GHCDMN Fc1c(Br)cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000823698729 899194808 /nfs/dbraw/zinc/19/48/08/899194808.db2.gz XOURIWGPMONZLM-UHFFFAOYSA-N 0 1 379.273 3.715 20 10 GHCDMN O=C(NC1CCN(Cc2ccc(Br)cc2O)CC1)c1ccccc1 ZINC000824542470 899701445 /nfs/dbraw/zinc/70/14/45/899701445.db2.gz SRALJDCQMSVYFG-UHFFFAOYSA-N 0 1 389.293 3.549 20 10 GHCDMN CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)nn1 ZINC000824739175 899773253 /nfs/dbraw/zinc/77/32/53/899773253.db2.gz VJRBBVJYQMZINJ-UHFFFAOYSA-N 0 1 391.859 3.806 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000825144468 900004693 /nfs/dbraw/zinc/00/46/93/900004693.db2.gz NWBZCDFXZFKHSD-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000134784820 900119506 /nfs/dbraw/zinc/11/95/06/900119506.db2.gz DCQQLQGMJHGAHI-ICSRJNTNSA-N 0 1 375.415 3.961 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000134784820 900119512 /nfs/dbraw/zinc/11/95/12/900119512.db2.gz DCQQLQGMJHGAHI-ICSRJNTNSA-N 0 1 375.415 3.961 20 10 GHCDMN CC[C@@H](O)[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001144005698 900878219 /nfs/dbraw/zinc/87/82/19/900878219.db2.gz AJORCGLUUXFQGO-XZOQPEGZSA-N 0 1 397.563 3.560 20 10 GHCDMN Cc1nc([C@@H]2COCCN2Cc2cc(Br)c(F)cc2O)cs1 ZINC001144293242 901622650 /nfs/dbraw/zinc/62/26/50/901622650.db2.gz MORMDMQCBHTLGQ-AWEZNQCLSA-N 0 1 387.274 3.632 20 10 GHCDMN O=C(C1CCN(Cc2cc(Br)c(F)cc2O)CC1)C(F)(F)F ZINC001144299865 901651560 /nfs/dbraw/zinc/65/15/60/901651560.db2.gz KVNCMRIWTQFWJU-UHFFFAOYSA-N 0 1 384.167 3.637 20 10 GHCDMN COc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299728 901651706 /nfs/dbraw/zinc/65/17/06/901651706.db2.gz HMNMGDGBHYQFPB-ZDUSSCGKSA-N 0 1 396.256 3.956 20 10 GHCDMN COC(=O)[C@H]1CN(Cc2cc(Br)c(F)cc2O)Cc2ccccc21 ZINC001144308125 901700455 /nfs/dbraw/zinc/70/04/55/901700455.db2.gz QJNOUZYPMLMGQO-AWEZNQCLSA-N 0 1 394.240 3.566 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000158646896 901943332 /nfs/dbraw/zinc/94/33/32/901943332.db2.gz YIQSPUIVMDDYCY-OAQYLSRUSA-N 0 1 392.471 3.567 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[O-] ZINC000158646896 901943344 /nfs/dbraw/zinc/94/33/44/901943344.db2.gz YIQSPUIVMDDYCY-OAQYLSRUSA-N 0 1 392.471 3.567 20 10 GHCDMN CN(Cc1cc(I)c[nH]1)Cc1ccc(N2CCCC2)cc1 ZINC001144400788 902015341 /nfs/dbraw/zinc/01/53/41/902015341.db2.gz HDJNJVHCLMRNSR-UHFFFAOYSA-N 0 1 395.288 3.852 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846018803 902599648 /nfs/dbraw/zinc/59/96/48/902599648.db2.gz PMEBKNGNRIIWFD-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000846161324 902731139 /nfs/dbraw/zinc/73/11/39/902731139.db2.gz XUNCYQLBEXADGL-UHFFFAOYSA-N 0 1 397.258 3.979 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846216931 902792986 /nfs/dbraw/zinc/79/29/86/902792986.db2.gz YCXQIBAIYBNTET-XHDPSFHLSA-N 0 1 377.282 3.582 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)cc2)CC1 ZINC000846281139 902843182 /nfs/dbraw/zinc/84/31/82/902843182.db2.gz TVWSWMSXHIKIPE-XMMPIXPASA-N 0 1 394.515 3.530 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000846286186 902847271 /nfs/dbraw/zinc/84/72/71/902847271.db2.gz XIIHHRJDQSFBOR-DHIUTWEWSA-N 0 1 394.515 3.602 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779160562 904908728 /nfs/dbraw/zinc/90/87/28/904908728.db2.gz FOLWTXYYDRRRCE-NEPJUHHUSA-N 0 1 399.875 3.689 20 10 GHCDMN C[C@H](NCc1cccc(Br)n1)c1ccc(N2CCOCC2)cc1 ZINC000779440163 907094057 /nfs/dbraw/zinc/09/40/57/907094057.db2.gz XRFFJHIKNDMWAC-AWEZNQCLSA-N 0 1 376.298 3.532 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)ccc1[O-] ZINC000184979450 907690989 /nfs/dbraw/zinc/69/09/89/907690989.db2.gz WFRTURNUJJJVSL-GFCCVEGCSA-N 0 1 393.281 3.703 20 10 GHCDMN O=C1c2ccccc2C(=O)c2cc(Nc3cc([N+](=O)[O-])ccc3F)c(O)cc21 ZINC001175740162 907714345 /nfs/dbraw/zinc/71/43/45/907714345.db2.gz VIECDMSWEQSSDO-UHFFFAOYSA-N 0 1 378.315 3.959 20 10 GHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000779617056 907895105 /nfs/dbraw/zinc/89/51/05/907895105.db2.gz ZLJUFZKXPSPGJN-INIZCTEOSA-N 0 1 389.814 3.808 20 10 GHCDMN O=[N+]([O-])c1cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1N1CCCCC1 ZINC000777438687 908177573 /nfs/dbraw/zinc/17/75/73/908177573.db2.gz BCBYXAVTTZXVLB-QFIPXVFZSA-N 0 1 399.466 3.818 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001177459780 908578272 /nfs/dbraw/zinc/57/82/72/908578272.db2.gz YZIWQBFKAXTIHP-GFCCVEGCSA-N 0 1 375.774 3.594 20 10 GHCDMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)cc(OC)c1 ZINC001179887697 909778790 /nfs/dbraw/zinc/77/87/90/909778790.db2.gz NQBSTPDXGNDZDV-AWEZNQCLSA-N 0 1 378.419 3.764 20 10 GHCDMN COc1cccc(C2([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCOCC2)c1F ZINC000773990058 911239218 /nfs/dbraw/zinc/23/92/18/911239218.db2.gz HNTZEKRXFKLEJR-UHFFFAOYSA-N 0 1 391.414 3.677 20 10 GHCDMN Cc1n[nH]c(C)c1CCOC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000774159405 911459713 /nfs/dbraw/zinc/45/97/13/911459713.db2.gz SNMFOQQEPXOJEQ-UHFFFAOYSA-N 0 1 394.519 3.534 20 10 GHCDMN COc1cc(Br)cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324605 912199016 /nfs/dbraw/zinc/19/90/16/912199016.db2.gz XANFDXQVWUJNQV-GFCCVEGCSA-N 0 1 380.282 3.932 20 10 GHCDMN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324605 912199026 /nfs/dbraw/zinc/19/90/26/912199026.db2.gz XANFDXQVWUJNQV-GFCCVEGCSA-N 0 1 380.282 3.932 20 10 GHCDMN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324604 912199373 /nfs/dbraw/zinc/19/93/73/912199373.db2.gz XANFDXQVWUJNQV-LBPRGKRZSA-N 0 1 380.282 3.932 20 10 GHCDMN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[O-] ZINC000093324604 912199386 /nfs/dbraw/zinc/19/93/86/912199386.db2.gz XANFDXQVWUJNQV-LBPRGKRZSA-N 0 1 380.282 3.932 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)CC3CCCC3)CC2)cc1 ZINC000303539696 914912087 /nfs/dbraw/zinc/91/20/87/914912087.db2.gz JIAWDEZFFGRSTA-IBGZPJMESA-N 0 1 387.568 3.540 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000097476955 915585315 /nfs/dbraw/zinc/58/53/15/915585315.db2.gz OYWHFVXQICHHLE-FQEVSTJZSA-N 0 1 395.547 3.645 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1[O-] ZINC000293730149 916352253 /nfs/dbraw/zinc/35/22/53/916352253.db2.gz OIDKKGCYVDFTOL-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000775253617 916644434 /nfs/dbraw/zinc/64/44/34/916644434.db2.gz ABWWDMBWRFFLJM-AWEZNQCLSA-N 0 1 375.856 3.936 20 10 GHCDMN COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC001190256134 917214148 /nfs/dbraw/zinc/21/41/48/917214148.db2.gz PNZJZDKOXMEZFU-UHFFFAOYSA-N 0 1 375.368 3.837 20 10 GHCDMN COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001190256546 917214218 /nfs/dbraw/zinc/21/42/18/917214218.db2.gz FRXRQMWYVGNGJI-UHFFFAOYSA-N 0 1 375.368 3.837 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Br)ccc1[O-] ZINC000775509061 918476825 /nfs/dbraw/zinc/47/68/25/918476825.db2.gz YZQILLMLBANETE-KRWDZBQOSA-N 0 1 387.281 3.976 20 10 GHCDMN CC[C@@H]([NH2+][C@H](C)CN1CCN(c2ccccn2)CC1)c1cc(Cl)ccc1[O-] ZINC000775509032 918476867 /nfs/dbraw/zinc/47/68/67/918476867.db2.gz YVWCVRYYBYHADC-VQIMIIECSA-N 0 1 388.943 3.692 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(OC)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775511529 918529652 /nfs/dbraw/zinc/52/96/52/918529652.db2.gz HAHIACKLZJCHFM-MGPUTAFESA-N 0 1 393.911 3.955 20 10 GHCDMN CC[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000903346703 922945231 /nfs/dbraw/zinc/94/52/31/922945231.db2.gz IREDQPVWFLRHLL-HNNXBMFYSA-N 0 1 384.314 3.517 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000748977091 923967193 /nfs/dbraw/zinc/96/71/93/923967193.db2.gz LVIKEDXXHMSOCS-UHFFFAOYSA-N 0 1 386.515 3.555 20 10 GHCDMN C[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccc(Br)cc1O ZINC000371864243 924922476 /nfs/dbraw/zinc/92/24/76/924922476.db2.gz KTRWJJPOZPTMMX-NEPJUHHUSA-N 0 1 379.302 3.884 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000827391083 925414024 /nfs/dbraw/zinc/41/40/24/925414024.db2.gz WMXHITXANGTEDG-UHFFFAOYSA-N 0 1 383.511 3.763 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2ccncc21 ZINC001137438654 925789439 /nfs/dbraw/zinc/78/94/39/925789439.db2.gz QJCRTLQITMYANM-SFHVURJKSA-N 0 1 395.890 3.988 20 10 GHCDMN CC(C)(NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000750874713 927911659 /nfs/dbraw/zinc/91/16/59/927911659.db2.gz IRQMNTNOBQUPDI-UHFFFAOYSA-N 0 1 398.462 3.925 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000752079950 928595767 /nfs/dbraw/zinc/59/57/67/928595767.db2.gz UHXKBYWMUOGNNU-TZMCWYRMSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000752079950 928595777 /nfs/dbraw/zinc/59/57/77/928595777.db2.gz UHXKBYWMUOGNNU-TZMCWYRMSA-N 0 1 396.915 3.983 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cnc(-c4ccncc4)s3)cc2F)CC1 ZINC000753365679 929319640 /nfs/dbraw/zinc/31/96/40/929319640.db2.gz JIANGCXCXGQSDS-UHFFFAOYSA-N 0 1 398.507 3.595 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1O ZINC000757284365 929685008 /nfs/dbraw/zinc/68/50/08/929685008.db2.gz DEMTVMKSORUPDM-KRWDZBQOSA-N 0 1 395.503 3.724 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000758187671 929966152 /nfs/dbraw/zinc/96/61/52/929966152.db2.gz ASQSALORCDTSQF-QHCPKHFHSA-N 0 1 380.536 3.506 20 10 GHCDMN C[C@H](C(=O)NCCc1cccs1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759694165 930455730 /nfs/dbraw/zinc/45/57/30/930455730.db2.gz MHQOYVUDOQVODH-GOSISDBHSA-N 0 1 385.577 3.918 20 10 GHCDMN Cc1noc(C2(C)CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)n1 ZINC000781529103 930879042 /nfs/dbraw/zinc/87/90/42/930879042.db2.gz KCOYXZZXELWGSP-UHFFFAOYSA-N 0 1 399.495 3.830 20 10 GHCDMN COC(=O)c1cc(C[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])oc1C ZINC000781895514 931015366 /nfs/dbraw/zinc/01/53/66/931015366.db2.gz UUZASUZQFXLEEH-UHFFFAOYSA-N 0 1 382.254 3.783 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000781911554 931025457 /nfs/dbraw/zinc/02/54/57/931025457.db2.gz LWTJKHSFCBJMPP-AWEZNQCLSA-N 0 1 397.357 3.837 20 10 GHCDMN CC(=O)OCCCc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000783676598 931615187 /nfs/dbraw/zinc/61/51/87/931615187.db2.gz YMJZOKKZCUYHNX-UHFFFAOYSA-N 0 1 381.520 3.546 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000797819899 932416903 /nfs/dbraw/zinc/41/69/03/932416903.db2.gz VNDBCLFXHMJLMK-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)ccc1O ZINC000797819902 932417071 /nfs/dbraw/zinc/41/70/71/932417071.db2.gz VOKKIKSGNWZWDP-UHFFFAOYSA-N 0 1 378.233 3.517 20 10 GHCDMN Nc1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC001120677112 934490864 /nfs/dbraw/zinc/49/08/64/934490864.db2.gz JVQGAOMLJZIZOA-QGZVFWFLSA-N 0 1 382.512 3.524 20 10 GHCDMN CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000828044606 935569306 /nfs/dbraw/zinc/56/93/06/935569306.db2.gz UXDUILWSRAVQRF-UHFFFAOYSA-N 0 1 391.258 3.918 20 10 GHCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC(O)CC2)cc1 ZINC001595363004 980777412 /nfs/dbraw/zinc/77/74/12/980777412.db2.gz VZPUURNZVFJQPY-JOCHJYFZSA-N 0 1 382.504 3.686 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001594538267 986165799 /nfs/dbraw/zinc/16/57/99/986165799.db2.gz KOFXWBKOTGDEOZ-BRWVUGGUSA-N 0 1 398.503 3.550 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CCC=C(C)C)cc2F)CC1 ZINC001226825531 1032146327 /nfs/dbraw/zinc/14/63/27/1032146327.db2.gz NQLTUAWFXRJLCD-GOSISDBHSA-N 0 1 390.547 3.902 20 10 GHCDMN Cc1cc(O)c(CN2CCC[C@]23CCN(CCC(F)(F)F)C3=O)cc1Cl ZINC001277213488 1032436507 /nfs/dbraw/zinc/43/65/07/1032436507.db2.gz NDPHTKQBRYLWIP-QGZVFWFLSA-N 0 1 390.833 3.873 20 10 GHCDMN COc1cc(CN2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc(O)c1O ZINC001204352156 1032789294 /nfs/dbraw/zinc/78/92/94/1032789294.db2.gz ZCMRZKHESVQEIZ-UHFFFAOYSA-N 0 1 393.487 3.887 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140339786 1021446954 /nfs/dbraw/zinc/44/69/54/1021446954.db2.gz YFUBCNIQGDNURA-FPOVZHCZSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140339786 1021446958 /nfs/dbraw/zinc/44/69/58/1021446958.db2.gz YFUBCNIQGDNURA-FPOVZHCZSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001140340054 1021448426 /nfs/dbraw/zinc/44/84/26/1021448426.db2.gz QKJUTGJAIUEQSV-OZOXKJRCSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001140340054 1021448435 /nfs/dbraw/zinc/44/84/35/1021448435.db2.gz QKJUTGJAIUEQSV-OZOXKJRCSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000802655582 1021516268 /nfs/dbraw/zinc/51/62/68/1021516268.db2.gz AYPFXZZHELKIOZ-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001140467418 1021761828 /nfs/dbraw/zinc/76/18/28/1021761828.db2.gz PNHPNUDCSFWNJS-IBGZPJMESA-N 0 1 388.895 3.781 20 10 GHCDMN COC(=O)c1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140467216 1021764407 /nfs/dbraw/zinc/76/44/07/1021764407.db2.gz PYNRXJMDYJMQQK-UHFFFAOYSA-N 0 1 375.852 3.876 20 10 GHCDMN Cc1c(O)ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C2)c1O ZINC001140747450 1022420653 /nfs/dbraw/zinc/42/06/53/1022420653.db2.gz DPKNNHBLUJWHHB-KRWDZBQOSA-N 0 1 378.513 3.874 20 10 GHCDMN CCN(CC)c1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001140852407 1022702136 /nfs/dbraw/zinc/70/21/36/1022702136.db2.gz MWWVQMNOLUOUDR-UHFFFAOYSA-N 0 1 398.551 3.767 20 10 GHCDMN COc1cccc(OC2CCN(Cc3ccc(N(C)C)cc3Cl)CC2)n1 ZINC001140925533 1022902102 /nfs/dbraw/zinc/90/21/02/1022902102.db2.gz CMMMWUSNDOIXCQ-UHFFFAOYSA-N 0 1 375.900 3.853 20 10 GHCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]2C)c(OC)c1 ZINC001141032156 1023299225 /nfs/dbraw/zinc/29/92/25/1023299225.db2.gz UJWCOZOERXJUHU-LSDHHAIUSA-N 0 1 394.512 3.535 20 10 GHCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(Cl)c(F)cc1O ZINC001204867629 1033132281 /nfs/dbraw/zinc/13/22/81/1033132281.db2.gz XAOOZTHQDDWRDE-UHFFFAOYSA-N 0 1 388.222 3.719 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC2(CN(Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141074851 1023434326 /nfs/dbraw/zinc/43/43/26/1023434326.db2.gz CVXBEXHZLCFTJY-UHFFFAOYSA-N 0 1 397.563 3.828 20 10 GHCDMN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756366088 1023609025 /nfs/dbraw/zinc/60/90/25/1023609025.db2.gz DUCNBBRIHINJJA-MJBXVCDLSA-N 0 1 385.346 3.693 20 10 GHCDMN C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(Br)cc1[O-] ZINC000756445179 1023653714 /nfs/dbraw/zinc/65/37/14/1023653714.db2.gz KWTSCDAHTHMZEG-GFCCVEGCSA-N 0 1 381.339 3.925 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000756470232 1023670481 /nfs/dbraw/zinc/67/04/81/1023670481.db2.gz NCABHBVPDPYMPZ-QGZVFWFLSA-N 0 1 390.483 3.869 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000756477446 1023676361 /nfs/dbraw/zinc/67/63/61/1023676361.db2.gz XOBMLQBZWACLBN-OCCSQVGLSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1[O-] ZINC000756477521 1023676636 /nfs/dbraw/zinc/67/66/36/1023676636.db2.gz ASDPARWFNPYVFW-NSHDSACASA-N 0 1 397.700 3.889 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc(Oc4cccc(F)c4)n3)cc2)CC1 ZINC001156658019 1033161061 /nfs/dbraw/zinc/16/10/61/1033161061.db2.gz QWEIGEYOAZYVMV-UHFFFAOYSA-N 0 1 393.466 3.772 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc4cc([N+](=O)[O-])ccc43)cc2)CC1 ZINC001156660708 1033163013 /nfs/dbraw/zinc/16/30/13/1033163013.db2.gz ZPZATBBHLVWEFM-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000756777616 1023812022 /nfs/dbraw/zinc/81/20/22/1023812022.db2.gz JWLNRHYKMAYNNY-NSHDSACASA-N 0 1 385.302 3.672 20 10 GHCDMN CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000756806249 1023822341 /nfs/dbraw/zinc/82/23/41/1023822341.db2.gz YQDYLHZFRBVVHF-MRXNPFEDSA-N 0 1 384.480 3.611 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)c1ccccc1C ZINC000830796335 1024153560 /nfs/dbraw/zinc/15/35/60/1024153560.db2.gz AIBBDSFMFPUGKT-QGZVFWFLSA-N 0 1 377.282 3.512 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001138125688 1024169577 /nfs/dbraw/zinc/16/95/77/1024169577.db2.gz VJVYLBIYRAIKDD-PGRDOPGGSA-N 0 1 386.467 3.514 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001138125263 1024169902 /nfs/dbraw/zinc/16/99/02/1024169902.db2.gz MPDUAWFWBPAMFD-IBGZPJMESA-N 0 1 377.410 3.664 20 10 GHCDMN Cc1c(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138257954 1024485213 /nfs/dbraw/zinc/48/52/13/1024485213.db2.gz FMDWIJNHBGGNNB-QZTJIDSGSA-N 0 1 375.488 3.924 20 10 GHCDMN CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367602 1024739980 /nfs/dbraw/zinc/73/99/80/1024739980.db2.gz HRDYSCKRVZORMX-LLVKDONJSA-N 0 1 390.705 3.973 20 10 GHCDMN CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000832059877 1025191228 /nfs/dbraw/zinc/19/12/28/1025191228.db2.gz UWIHKDKBWPKTTQ-UHFFFAOYSA-N 0 1 389.279 3.763 20 10 GHCDMN CCOC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C[C@H]2CCCC[C@@H]12 ZINC001139124712 1025937720 /nfs/dbraw/zinc/93/77/20/1025937720.db2.gz DIASMSCMKDDLJM-NXHRZFHOSA-N 0 1 399.487 3.608 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001139129305 1025941646 /nfs/dbraw/zinc/94/16/46/1025941646.db2.gz VGGUPJIUNCXWRX-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001139129305 1025941655 /nfs/dbraw/zinc/94/16/55/1025941655.db2.gz VGGUPJIUNCXWRX-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001139129305 1025941658 /nfs/dbraw/zinc/94/16/58/1025941658.db2.gz VGGUPJIUNCXWRX-RXVVDRJESA-N 0 1 390.483 3.513 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001139682169 1026537804 /nfs/dbraw/zinc/53/78/04/1026537804.db2.gz RBPWANNUNYEEBR-UHFFFAOYSA-N 0 1 385.389 3.867 20 10 GHCDMN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@@H]1c1ccccc1 ZINC001140101895 1026880699 /nfs/dbraw/zinc/88/06/99/1026880699.db2.gz CXVSXXOOAUVLLT-CABCVRRESA-N 0 1 390.277 3.543 20 10 GHCDMN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@@H]1c1ccccc1 ZINC001140101895 1026880707 /nfs/dbraw/zinc/88/07/07/1026880707.db2.gz CXVSXXOOAUVLLT-CABCVRRESA-N 0 1 390.277 3.543 20 10 GHCDMN COC(=O)c1ccc(C2C[NH+](Cc3c([O-])cccc3Br)C2)cc1 ZINC001140102693 1026882976 /nfs/dbraw/zinc/88/29/76/1026882976.db2.gz WQTGHZBIFHFVJK-UHFFFAOYSA-N 0 1 376.250 3.541 20 10 GHCDMN COC(=O)c1ccc(C2CN(Cc3c(O)cccc3Br)C2)cc1 ZINC001140102693 1026882984 /nfs/dbraw/zinc/88/29/84/1026882984.db2.gz WQTGHZBIFHFVJK-UHFFFAOYSA-N 0 1 376.250 3.541 20 10 GHCDMN Cc1cccc(N2CCC[N@H+](Cc3c([O-])cccc3Br)CC2)n1 ZINC001140102993 1026883942 /nfs/dbraw/zinc/88/39/42/1026883942.db2.gz CZYXALACIAVHSK-UHFFFAOYSA-N 0 1 376.298 3.570 20 10 GHCDMN Cc1cccc(N2CCC[N@@H+](Cc3c([O-])cccc3Br)CC2)n1 ZINC001140102993 1026883946 /nfs/dbraw/zinc/88/39/46/1026883946.db2.gz CZYXALACIAVHSK-UHFFFAOYSA-N 0 1 376.298 3.570 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(OCC4CCOCC4)cc3)cc2)CC1 ZINC001461218293 1069447756 /nfs/dbraw/zinc/44/77/56/1069447756.db2.gz OBEQCYVZHRRMJP-UHFFFAOYSA-N 0 1 395.547 3.856 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C1CCOCC1 ZINC001203567190 1027438216 /nfs/dbraw/zinc/43/82/16/1027438216.db2.gz KCWWUNDMEVNRQZ-UHFFFAOYSA-N 0 1 393.119 3.918 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001203580379 1027449253 /nfs/dbraw/zinc/44/92/53/1027449253.db2.gz VORNCOSWHVACAW-KXBFYZLASA-N 0 1 395.286 3.906 20 10 GHCDMN COc1cccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1O ZINC001203593449 1027459426 /nfs/dbraw/zinc/45/94/26/1027459426.db2.gz MUVGCGVSDHPINY-UHFFFAOYSA-N 0 1 393.487 3.579 20 10 GHCDMN CCOC[C@H]1CN(Cc2cccc(OCC)c2O)Cc2cnn(CC3CC3)c21 ZINC001203609590 1027474863 /nfs/dbraw/zinc/47/48/63/1027474863.db2.gz HVPCBJHIFYAYOU-LJQANCHMSA-N 0 1 385.508 3.533 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001203658748 1027514497 /nfs/dbraw/zinc/51/44/97/1027514497.db2.gz NMKNYXAOEPRSAT-UHFFFAOYSA-N 0 1 399.922 3.959 20 10 GHCDMN COC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000840760428 1027799315 /nfs/dbraw/zinc/79/93/15/1027799315.db2.gz XSPXFABHUWKYSW-LJQANCHMSA-N 0 1 396.865 3.932 20 10 GHCDMN C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)c(F)cc1O ZINC000840869757 1027905508 /nfs/dbraw/zinc/90/55/08/1027905508.db2.gz PYIORHUAJCVURW-ZETCQYMHSA-N 0 1 394.166 3.953 20 10 GHCDMN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000840879641 1027916052 /nfs/dbraw/zinc/91/60/52/1027916052.db2.gz FQPLGTVFQGORTC-UHFFFAOYSA-N 0 1 398.457 3.585 20 10 GHCDMN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840946519 1027977235 /nfs/dbraw/zinc/97/72/35/1027977235.db2.gz PMZZKZRAJBEJRI-WDEREUQCSA-N 0 1 382.917 3.521 20 10 GHCDMN C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841746687 1028908315 /nfs/dbraw/zinc/90/83/15/1028908315.db2.gz KMOGYAHBKUIEIG-INIZCTEOSA-N 0 1 390.911 3.607 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841756784 1028915775 /nfs/dbraw/zinc/91/57/75/1028915775.db2.gz KCEGWALKFZRTSY-ZFWWWQNUSA-N 0 1 384.904 3.722 20 10 GHCDMN C[C@H](c1ccccc1)n1cc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000842740433 1029547047 /nfs/dbraw/zinc/54/70/47/1029547047.db2.gz QMFVSKFHYWBRQV-LJQANCHMSA-N 0 1 375.520 3.856 20 10 GHCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCc1cccs1 ZINC000842910723 1029677037 /nfs/dbraw/zinc/67/70/37/1029677037.db2.gz VYIQTOVJKGLKOQ-NHYWBVRUSA-N 0 1 397.338 3.962 20 10 GHCDMN CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001216557867 1029685488 /nfs/dbraw/zinc/68/54/88/1029685488.db2.gz HOGHGEGINBIPOE-GOSISDBHSA-N 0 1 398.555 3.564 20 10 GHCDMN COc1ccc(Br)c(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)n1 ZINC001216976484 1030046658 /nfs/dbraw/zinc/04/66/58/1030046658.db2.gz CSFNAIXYTDJZKE-UHFFFAOYSA-N 0 1 398.600 3.634 20 10 GHCDMN Cc1cc2ccccc2nc1-c1noc(-c2cc3cc(O)c(O)cc3oc2=O)n1 ZINC001217553540 1030488157 /nfs/dbraw/zinc/48/81/57/1030488157.db2.gz CGHAWJYLZQMKEZ-UHFFFAOYSA-N 0 1 387.351 3.778 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Br)c2[O-])C1=O ZINC001276944948 1030876860 /nfs/dbraw/zinc/87/68/60/1030876860.db2.gz YQAGXCVUEBVPKT-KZULUSFZSA-N 0 1 399.304 3.659 20 10 GHCDMN CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(Br)c2[O-])C1=O ZINC001276944948 1030876879 /nfs/dbraw/zinc/87/68/79/1030876879.db2.gz YQAGXCVUEBVPKT-KZULUSFZSA-N 0 1 399.304 3.659 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)cc1 ZINC001218954621 1031173418 /nfs/dbraw/zinc/17/34/18/1031173418.db2.gz CYGYTOYGEPJBKT-QAPCUYQASA-N 0 1 377.410 3.733 20 10 GHCDMN COc1ccc(CN[C@H](C)c2cc(F)ccc2N(C)C)cc1Cn1cccn1 ZINC001461836832 1069781610 /nfs/dbraw/zinc/78/16/10/1069781610.db2.gz SCJXULXKWQEHQI-MRXNPFEDSA-N 0 1 382.483 3.996 20 10 GHCDMN CCc1ccc(C(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001461846156 1069787179 /nfs/dbraw/zinc/78/71/79/1069787179.db2.gz ZBPLYICKLSAVMS-UHFFFAOYSA-N 0 1 376.859 3.705 20 10 GHCDMN CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC001205710439 1033541510 /nfs/dbraw/zinc/54/15/10/1033541510.db2.gz BTZPBGBLFMNWOY-INIZCTEOSA-N 0 1 384.904 3.887 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 ZINC001157436114 1033587203 /nfs/dbraw/zinc/58/72/03/1033587203.db2.gz YZKYADHKKYDLFS-QGCDCVKKSA-N 0 1 396.531 3.681 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](CC(F)(F)F)O1 ZINC001206743333 1033966162 /nfs/dbraw/zinc/96/61/62/1033966162.db2.gz RFAJPQCZVOTGQD-KCJUWKMLSA-N 0 1 386.183 3.836 20 10 GHCDMN COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O[C@@H]1C=CCC1 ZINC001230437782 1034056038 /nfs/dbraw/zinc/05/60/38/1034056038.db2.gz OVCMIHDXVPBCHY-GFCCVEGCSA-N 0 1 382.368 3.683 20 10 GHCDMN CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)c(F)cc1[O-] ZINC001276517652 1034212060 /nfs/dbraw/zinc/21/20/60/1034212060.db2.gz GLCPSERNYLDCEN-HZPDHXFCSA-N 0 1 399.304 3.659 20 10 GHCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)c(O)c1 ZINC001231455894 1034598807 /nfs/dbraw/zinc/59/88/07/1034598807.db2.gz WQTRMTKEDKYMOJ-AWEZNQCLSA-N 0 1 376.250 3.842 20 10 GHCDMN COc1ccc(Br)c(CN2CCC(Oc3cccnc3)CC2)c1O ZINC001231552894 1034705284 /nfs/dbraw/zinc/70/52/84/1034705284.db2.gz MINHBNBLILWHJP-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN CC(C)C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231563453 1034713108 /nfs/dbraw/zinc/71/31/08/1034713108.db2.gz AIGJXZZIAIUESP-KRWDZBQOSA-N 0 1 392.496 3.558 20 10 GHCDMN Cc1cccc(CN2CCc3c(COCc4ccccn4)cncc3C2)c1O ZINC001231592339 1034746333 /nfs/dbraw/zinc/74/63/33/1034746333.db2.gz MAWIOPQIMNGWBO-UHFFFAOYSA-N 0 1 375.472 3.766 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c1 ZINC001277540386 1034754565 /nfs/dbraw/zinc/75/45/65/1034754565.db2.gz LADJHPBLDCABNP-IBGZPJMESA-N 0 1 395.341 3.686 20 10 GHCDMN CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1=O ZINC001277541763 1034762303 /nfs/dbraw/zinc/76/23/03/1034762303.db2.gz YVDZIQFRIFVCLO-LJQANCHMSA-N 0 1 395.341 3.688 20 10 GHCDMN O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC001461926246 1069891542 /nfs/dbraw/zinc/89/15/42/1069891542.db2.gz JKXTXGKXIFPRSX-UHFFFAOYSA-N 0 1 397.277 3.725 20 10 GHCDMN Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)cc1Cl ZINC001231869857 1034956670 /nfs/dbraw/zinc/95/66/70/1034956670.db2.gz XUNQQHGAVJMALH-LAUBAEHRSA-N 0 1 394.943 3.640 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)cc1Cl ZINC001231869857 1034956672 /nfs/dbraw/zinc/95/66/72/1034956672.db2.gz XUNQQHGAVJMALH-LAUBAEHRSA-N 0 1 394.943 3.640 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)cc1Cl ZINC001231869857 1034956679 /nfs/dbraw/zinc/95/66/79/1034956679.db2.gz XUNQQHGAVJMALH-LAUBAEHRSA-N 0 1 394.943 3.640 20 10 GHCDMN O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])[C@H]2C1 ZINC001231882215 1034965948 /nfs/dbraw/zinc/96/59/48/1034965948.db2.gz NIVIXXANNVSMFR-XLIONFOSSA-N 0 1 376.456 3.875 20 10 GHCDMN O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])[C@H]2C1 ZINC001231882215 1034965949 /nfs/dbraw/zinc/96/59/49/1034965949.db2.gz NIVIXXANNVSMFR-XLIONFOSSA-N 0 1 376.456 3.875 20 10 GHCDMN CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])Cc2c1cnn2CC1CC1 ZINC001231910263 1034984176 /nfs/dbraw/zinc/98/41/76/1034984176.db2.gz MAARKTYPIGNTMR-INIZCTEOSA-N 0 1 375.900 3.788 20 10 GHCDMN CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2c1cnn2CC1CC1 ZINC001231910263 1034984178 /nfs/dbraw/zinc/98/41/78/1034984178.db2.gz MAARKTYPIGNTMR-INIZCTEOSA-N 0 1 375.900 3.788 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001231910730 1034985279 /nfs/dbraw/zinc/98/52/79/1034985279.db2.gz VBITYICEEJVHDJ-DFQSSKMNSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001231911309 1034985456 /nfs/dbraw/zinc/98/54/56/1034985456.db2.gz JFRRCMRPVGDKEJ-UHFFFAOYSA-N 0 1 387.867 3.958 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001231911647 1034986723 /nfs/dbraw/zinc/98/67/23/1034986723.db2.gz OCFQWBNCEFEBHH-LAUBAEHRSA-N 0 1 388.895 3.891 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1F ZINC001160766786 1035062333 /nfs/dbraw/zinc/06/23/33/1035062333.db2.gz LIVWAUNERFTVJU-UHFFFAOYSA-N 0 1 381.451 3.752 20 10 GHCDMN CCc1nc(C2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)CC2)no1 ZINC001232200277 1035157936 /nfs/dbraw/zinc/15/79/36/1035157936.db2.gz RQWVDTVKSKBACB-UHFFFAOYSA-N 0 1 390.915 3.502 20 10 GHCDMN O=C(Nc1cccc(Cc2nc3ccccc3[nH]2)c1)c1c(F)ccc(O)c1O ZINC001161493496 1035240837 /nfs/dbraw/zinc/24/08/37/1035240837.db2.gz CRKYPJFBESGWNI-UHFFFAOYSA-N 0 1 377.375 3.956 20 10 GHCDMN COc1cc(O)c(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1Cl ZINC001232263792 1037985110 /nfs/dbraw/zinc/98/51/10/1037985110.db2.gz AIBCXINEKCXDEN-AWEZNQCLSA-N 0 1 384.904 3.933 20 10 GHCDMN COC(=O)c1c(CN2CC[C@H](Oc3cccc(F)c3)C2)c2ccccc2n1C ZINC001232410644 1038194883 /nfs/dbraw/zinc/19/48/83/1038194883.db2.gz PUYVPDKJVAATNO-KRWDZBQOSA-N 0 1 382.435 3.757 20 10 GHCDMN CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001277666561 1038219300 /nfs/dbraw/zinc/21/93/00/1038219300.db2.gz WQNKMJLQDPUUHX-UHFFFAOYSA-N 0 1 380.916 3.612 20 10 GHCDMN c1[nH]c2ncncc2c1CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001232659480 1038449055 /nfs/dbraw/zinc/44/90/55/1038449055.db2.gz UDHZHDYMQYXJEX-UHFFFAOYSA-N 0 1 399.498 3.811 20 10 GHCDMN COc1cccc(N2CCN(Cc3c(O)cc(Br)cc3F)CC2)c1 ZINC001233027060 1038778956 /nfs/dbraw/zinc/77/89/56/1038778956.db2.gz KVLZELBYDUZXKI-UHFFFAOYSA-N 0 1 395.272 3.625 20 10 GHCDMN C[N@H+]1CCN(Cc2c([O-])cc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC001233027238 1038779077 /nfs/dbraw/zinc/77/90/77/1038779077.db2.gz OJADMHGSUZIQDX-KRWDZBQOSA-N 0 1 379.273 3.783 20 10 GHCDMN [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001233031820 1038785317 /nfs/dbraw/zinc/78/53/17/1038785317.db2.gz NRSPVZUVOSJULK-HOTGVXAUSA-N 0 1 391.284 3.753 20 10 GHCDMN CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1=O ZINC001233077399 1038841747 /nfs/dbraw/zinc/84/17/47/1038841747.db2.gz OSNPLBZACGBNNA-JOCHJYFZSA-N 0 1 386.442 3.817 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2O)[C@H](C(F)(F)F)C1 ZINC001233079403 1038844684 /nfs/dbraw/zinc/84/46/84/1038844684.db2.gz AUHDZSVYFFVWIT-LBPRGKRZSA-N 0 1 396.356 3.654 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001233110052 1038899330 /nfs/dbraw/zinc/89/93/30/1038899330.db2.gz QAXLOEUVSFGJJW-DOMZBBRYSA-N 0 1 399.329 3.808 20 10 GHCDMN Cc1cc(Br)cc(CN2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC001233110134 1038900662 /nfs/dbraw/zinc/90/06/62/1038900662.db2.gz VJYGCAPZGHNDOZ-UHFFFAOYSA-N 0 1 399.329 3.810 20 10 GHCDMN Cc1cc(O[C@@H]2CCCN(Cc3cc(Br)cc(C)c3O)C2)ncn1 ZINC001233110661 1038900970 /nfs/dbraw/zinc/90/09/70/1038900970.db2.gz HSUJNTKNYBJWJK-MRXNPFEDSA-N 0 1 392.297 3.605 20 10 GHCDMN CCOC(=O)c1c(CN2CCC(Oc3ccncc3)CC2)c2ccccc2n1C ZINC001233270291 1039038725 /nfs/dbraw/zinc/03/87/25/1039038725.db2.gz IHQLBBRESCCMQT-UHFFFAOYSA-N 0 1 393.487 3.793 20 10 GHCDMN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC001233306289 1039096102 /nfs/dbraw/zinc/09/61/02/1039096102.db2.gz LSFMUQSFWZNTFR-UHFFFAOYSA-N 0 1 378.213 3.563 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@@H](C)O)cc1 ZINC001233415628 1039269729 /nfs/dbraw/zinc/26/97/29/1039269729.db2.gz CYCJWKVJTYTDPQ-CQSZACIVSA-N 0 1 383.410 3.845 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416567 1039272070 /nfs/dbraw/zinc/27/20/70/1039272070.db2.gz NDULYLFMDPBMFB-HIFRSBDPSA-N 0 1 386.414 3.852 20 10 GHCDMN CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3O)C2)C1 ZINC001233416339 1039272888 /nfs/dbraw/zinc/27/28/88/1039272888.db2.gz FDLYOYASUUWXKX-IBGZPJMESA-N 0 1 386.458 3.734 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452490 1039336042 /nfs/dbraw/zinc/33/60/42/1039336042.db2.gz YMVDGQQBJLCPRK-HIFRSBDPSA-N 0 1 386.414 3.852 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452490 1039336057 /nfs/dbraw/zinc/33/60/57/1039336057.db2.gz YMVDGQQBJLCPRK-HIFRSBDPSA-N 0 1 386.414 3.852 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[O-])CC2)N1CC1CC1 ZINC001233452549 1039337844 /nfs/dbraw/zinc/33/78/44/1039337844.db2.gz AQRLUKQXFHEXJV-UHFFFAOYSA-N 0 1 382.426 3.778 20 10 GHCDMN CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233453052 1039337966 /nfs/dbraw/zinc/33/79/66/1039337966.db2.gz TUEGWFKQTRVOPA-UHFFFAOYSA-N 0 1 381.398 3.589 20 10 GHCDMN CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233453052 1039337985 /nfs/dbraw/zinc/33/79/85/1039337985.db2.gz TUEGWFKQTRVOPA-UHFFFAOYSA-N 0 1 381.398 3.589 20 10 GHCDMN CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3[O-])CC2)n1 ZINC001233455750 1039346522 /nfs/dbraw/zinc/34/65/22/1039346522.db2.gz XAMWBZHAJANBRQ-UHFFFAOYSA-N 0 1 398.381 3.955 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)c2c1 ZINC001234525389 1040101342 /nfs/dbraw/zinc/10/13/42/1040101342.db2.gz FEYQJKLPZKYTES-JXFKEZNVSA-N 0 1 398.503 3.995 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(c4ncccc4Cl)CC3)c2c1 ZINC001234561806 1040130104 /nfs/dbraw/zinc/13/01/04/1040130104.db2.gz BEFVOISVTPINRV-UHFFFAOYSA-N 0 1 383.879 3.925 20 10 GHCDMN Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001254715846 1040475083 /nfs/dbraw/zinc/47/50/83/1040475083.db2.gz AWTJWAYPZGWIAH-QHCPKHFHSA-N 0 1 392.547 3.794 20 10 GHCDMN CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234998363 1040492287 /nfs/dbraw/zinc/49/22/87/1040492287.db2.gz FPZXDQIHQZXSAD-FQEVSTJZSA-N 0 1 382.504 3.519 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cc(F)cc(Br)c1O ZINC001235303555 1040779465 /nfs/dbraw/zinc/77/94/65/1040779465.db2.gz OELKMENFBXYKHV-CQSZACIVSA-N 0 1 388.277 3.990 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cc(C)cnc4F)C3)C2)cc1 ZINC001235333679 1040804171 /nfs/dbraw/zinc/80/41/71/1040804171.db2.gz YQHJRPWFKYVPMA-QHCPKHFHSA-N 0 1 399.510 3.657 20 10 GHCDMN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCc3c(c4cc(OC)ccc4n3C)C1)C2 ZINC001255209683 1040905311 /nfs/dbraw/zinc/90/53/11/1040905311.db2.gz GYZBOVKRBWLDCY-FVQHAEBGSA-N 0 1 397.519 3.697 20 10 GHCDMN C[C@H]1C(=O)Nc2ccccc2CN1Cc1cc(Br)cc(F)c1O ZINC001462518750 1070323241 /nfs/dbraw/zinc/32/32/41/1070323241.db2.gz WKCFVVKKEYLRMY-JTQLQIEISA-N 0 1 379.229 3.637 20 10 GHCDMN CCc1noc([C@H]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3O)C2)n1 ZINC001255968065 1041447719 /nfs/dbraw/zinc/44/77/19/1041447719.db2.gz ZFEVPJMTERXMIX-CABZTGNLSA-N 0 1 399.278 3.780 20 10 GHCDMN Cc1cnc(O[C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)nc1 ZINC001236669428 1041816969 /nfs/dbraw/zinc/81/69/69/1041816969.db2.gz JEJXKGRDGUZAKW-HNNXBMFYSA-N 0 1 392.297 3.605 20 10 GHCDMN COc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c(O)cc1Br ZINC001236750942 1041871485 /nfs/dbraw/zinc/87/14/85/1041871485.db2.gz NOBZVMWMRULIIC-OAHLLOKOSA-N 0 1 396.256 3.956 20 10 GHCDMN COc1cc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)c(O)cc1Br ZINC001236752501 1041873193 /nfs/dbraw/zinc/87/31/93/1041873193.db2.gz YDPLRHZUKDNKMI-OAHLLOKOSA-N 0 1 396.256 3.956 20 10 GHCDMN COc1cc(CN2CCN(C)[C@@H](c3ccccc3)C2)c(O)cc1Br ZINC001236752693 1041873249 /nfs/dbraw/zinc/87/32/49/1041873249.db2.gz FFNIPXZWXOLDBO-QGZVFWFLSA-N 0 1 391.309 3.652 20 10 GHCDMN O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236790613 1041897136 /nfs/dbraw/zinc/89/71/36/1041897136.db2.gz REUHGUWBPXVSBL-IYBDPMFKSA-N 0 1 391.298 3.903 20 10 GHCDMN Oc1ccc(OCc2ccccc2)cc1CN1CCN(Cc2cccnc2)CC1 ZINC001236794158 1041897997 /nfs/dbraw/zinc/89/79/97/1041897997.db2.gz YOVPBTQBMAWKQN-UHFFFAOYSA-N 0 1 389.499 3.684 20 10 GHCDMN COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236795708 1041900796 /nfs/dbraw/zinc/90/07/96/1041900796.db2.gz NPNKGMSENTUKJR-CYBMUJFWSA-N 0 1 384.904 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236795708 1041900798 /nfs/dbraw/zinc/90/07/98/1041900798.db2.gz NPNKGMSENTUKJR-CYBMUJFWSA-N 0 1 384.904 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001236795708 1041900802 /nfs/dbraw/zinc/90/08/02/1041900802.db2.gz NPNKGMSENTUKJR-CYBMUJFWSA-N 0 1 384.904 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(Cl)c1 ZINC001236796727 1041900916 /nfs/dbraw/zinc/90/09/16/1041900916.db2.gz YJVUGXQBGQPFNM-DYVFJYSZSA-N 0 1 396.915 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(Cl)c1 ZINC001236796727 1041900918 /nfs/dbraw/zinc/90/09/18/1041900918.db2.gz YJVUGXQBGQPFNM-DYVFJYSZSA-N 0 1 396.915 3.886 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c([O-])c1Cl ZINC001236802241 1041904258 /nfs/dbraw/zinc/90/42/58/1041904258.db2.gz PXWPQBRGRIVVEY-OXJNMPFZSA-N 0 1 381.900 3.604 20 10 GHCDMN COc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c([O-])c1Cl ZINC001236803113 1041905243 /nfs/dbraw/zinc/90/52/43/1041905243.db2.gz FNKNANPPMHDZKV-AWEZNQCLSA-N 0 1 392.931 3.668 20 10 GHCDMN COc1cc(C)c(CN2CCCn3cnc(COCc4ccco4)c3C2)c(O)c1 ZINC001236811785 1041911192 /nfs/dbraw/zinc/91/11/92/1041911192.db2.gz UGTREAIEZRPLMO-UHFFFAOYSA-N 0 1 397.475 3.621 20 10 GHCDMN COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1Cl ZINC001236812151 1041911217 /nfs/dbraw/zinc/91/12/17/1041911217.db2.gz SGOJPWZKNOUTJB-UHFFFAOYSA-N 0 1 378.875 3.901 20 10 GHCDMN COc1ccc(C(=O)N2CCN(Cc3cc4ccccc4cc3O)CC2)cc1 ZINC001236835499 1041922627 /nfs/dbraw/zinc/92/26/27/1041922627.db2.gz OMBMQRFTYRITKC-UHFFFAOYSA-N 0 1 376.456 3.512 20 10 GHCDMN CC(C)(C)OC(=O)N1CCOc2cc(O)c(CN3CCC[C@](C)(F)C3)cc2C1 ZINC001236848063 1041927273 /nfs/dbraw/zinc/92/72/73/1041927273.db2.gz RITOSRRZERFFCB-NRFANRHFSA-N 0 1 394.487 3.846 20 10 GHCDMN CN1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1c1ccccc1 ZINC001236922327 1041959927 /nfs/dbraw/zinc/95/99/27/1041959927.db2.gz QMKMAYLGPFILFR-JOCHJYFZSA-N 0 1 385.939 3.665 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(OCC)cc2O)Cc2cnn(CC3CC3)c21 ZINC001237041327 1042001563 /nfs/dbraw/zinc/00/15/63/1042001563.db2.gz OXYLSQFIGPNVMB-IBGZPJMESA-N 0 1 385.508 3.533 20 10 GHCDMN CCOc1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001237042626 1042003248 /nfs/dbraw/zinc/00/32/48/1042003248.db2.gz ZCCSHTJMOXXGJX-UHFFFAOYSA-N 0 1 381.398 3.527 20 10 GHCDMN COc1cc(O)c(CN(C)C[C@H]2Cc3ccccc3O2)c(Br)c1 ZINC001237067178 1042018695 /nfs/dbraw/zinc/01/86/95/1042018695.db2.gz GTFGZLDPCILQEF-CQSZACIVSA-N 0 1 378.266 3.599 20 10 GHCDMN COc1cc([O-])c(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(Br)c1 ZINC001237067178 1042018697 /nfs/dbraw/zinc/01/86/97/1042018697.db2.gz GTFGZLDPCILQEF-CQSZACIVSA-N 0 1 378.266 3.599 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(Br)c1 ZINC001237067178 1042018703 /nfs/dbraw/zinc/01/87/03/1042018703.db2.gz GTFGZLDPCILQEF-CQSZACIVSA-N 0 1 378.266 3.599 20 10 GHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001237080429 1042026895 /nfs/dbraw/zinc/02/68/95/1042026895.db2.gz LZXLEVCGUABQTM-KUHUBIRLSA-N 0 1 395.286 3.906 20 10 GHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001237087021 1042029821 /nfs/dbraw/zinc/02/98/21/1042029821.db2.gz SCMMXXKINOWFJE-CDMJZVDBSA-N 0 1 387.307 3.996 20 10 GHCDMN CC(C)OCCN(CCOC(C)C)Cc1c(O)cccc1OC(F)(F)F ZINC001237111494 1042043997 /nfs/dbraw/zinc/04/39/97/1042043997.db2.gz PRLRKSCBRRFFAG-UHFFFAOYSA-N 0 1 379.419 3.943 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]2C1 ZINC001237125482 1042053162 /nfs/dbraw/zinc/05/31/62/1042053162.db2.gz CZHKQQBIUNHKIA-OLZOCXBDSA-N 0 1 384.879 3.874 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@H]2C1 ZINC001237125482 1042053164 /nfs/dbraw/zinc/05/31/64/1042053164.db2.gz CZHKQQBIUNHKIA-OLZOCXBDSA-N 0 1 384.879 3.874 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128205 1042055248 /nfs/dbraw/zinc/05/52/48/1042055248.db2.gz MEUSEWPABWQORT-LALPHHSUSA-N 0 1 384.879 3.920 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]12 ZINC001237128205 1042055250 /nfs/dbraw/zinc/05/52/50/1042055250.db2.gz MEUSEWPABWQORT-LALPHHSUSA-N 0 1 384.879 3.920 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135204 1042057586 /nfs/dbraw/zinc/05/75/86/1042057586.db2.gz GSUHQFCVQPLKDI-HIFRSBDPSA-N 0 1 386.414 3.852 20 10 GHCDMN Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2c(C)cccc2O)C3)n1 ZINC001237487670 1042230594 /nfs/dbraw/zinc/23/05/94/1042230594.db2.gz CYOVIQUZIAESFP-RPWUZVMVSA-N 0 1 396.531 3.992 20 10 GHCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001237495250 1042235349 /nfs/dbraw/zinc/23/53/49/1042235349.db2.gz NXVUSMQYUWAPJU-CABCVRRESA-N 0 1 388.430 3.978 20 10 GHCDMN COc1cccc([C@H]2CSCCN2Cc2cc(OC)cc(OC)c2O)c1 ZINC001237683824 1042324459 /nfs/dbraw/zinc/32/44/59/1042324459.db2.gz KSPDDPYYQNHYFS-GOSISDBHSA-N 0 1 375.490 3.708 20 10 GHCDMN CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001237747217 1042350932 /nfs/dbraw/zinc/35/09/32/1042350932.db2.gz ZSLJVQJZGVIESI-UHFFFAOYSA-N 0 1 387.549 3.585 20 10 GHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(I)c1[O-] ZINC001237779484 1042365797 /nfs/dbraw/zinc/36/57/97/1042365797.db2.gz HBYPJTGGTKMFRM-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN CC[C@H]1[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001237935655 1042427322 /nfs/dbraw/zinc/42/73/22/1042427322.db2.gz DGTQEVBAUMACLU-QUCCMNQESA-N 0 1 398.906 3.567 20 10 GHCDMN CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C2)C1 ZINC001237935021 1042427483 /nfs/dbraw/zinc/42/74/83/1042427483.db2.gz OVODHACLGLDXRG-GFCCVEGCSA-N 0 1 384.879 3.874 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001237935214 1042427527 /nfs/dbraw/zinc/42/75/27/1042427527.db2.gz RNURBQNHEJYZQT-TZMCWYRMSA-N 0 1 384.879 3.874 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cc(F)c(O)c(Cl)c3)CC2)cc1 ZINC001237993528 1042448438 /nfs/dbraw/zinc/44/84/38/1042448438.db2.gz SAXMZYRCUKMSAB-UHFFFAOYSA-N 0 1 394.874 3.532 20 10 GHCDMN COC(=O)c1c(CN2CC[C@H](Cc3nccs3)C2)c2cc(F)ccc2n1C ZINC001462656118 1070446860 /nfs/dbraw/zinc/44/68/60/1070446860.db2.gz VBPPKNVSLJEZLA-CYBMUJFWSA-N 0 1 387.480 3.625 20 10 GHCDMN CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3cc(Cl)c(Cl)cc3[O-])[C@@H]2C1 ZINC001279665531 1047906019 /nfs/dbraw/zinc/90/60/19/1047906019.db2.gz QDNPRLRAJLIWRE-SUMWQHHRSA-N 0 1 395.334 3.622 20 10 GHCDMN O=C([C@H]1CC12C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C2)N1CCCC12CC2 ZINC001279975896 1048022706 /nfs/dbraw/zinc/02/27/06/1048022706.db2.gz KJATUWHRQSSHJS-CQSZACIVSA-N 0 1 381.303 3.676 20 10 GHCDMN C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC001307610258 1049449246 /nfs/dbraw/zinc/44/92/46/1049449246.db2.gz IRJVBSKLNQTTLS-OAHLLOKOSA-N 0 1 384.435 3.751 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(OC[C@H]4CCCO4)cc3)cc2)CC1 ZINC001308272616 1049933341 /nfs/dbraw/zinc/93/33/41/1049933341.db2.gz NERRRWVQFBNZOE-HSZRJFAPSA-N 0 1 381.520 3.608 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC001308685413 1050059134 /nfs/dbraw/zinc/05/91/34/1050059134.db2.gz JCWJEDVDSJJANF-ZDUSSCGKSA-N 0 1 384.701 3.749 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccccc3O)cc2Cl)C1 ZINC001309442380 1050722702 /nfs/dbraw/zinc/72/27/02/1050722702.db2.gz YLIBQGFEIJXAEU-CQSZACIVSA-N 0 1 394.924 3.760 20 10 GHCDMN O=C([O-])C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(-c2ccccc2)c1 ZINC000756377981 1051060239 /nfs/dbraw/zinc/06/02/39/1051060239.db2.gz CJYYASYZLGKERX-INIZCTEOSA-N 0 1 389.814 3.676 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3csc(C)c3)cc2F)CC1 ZINC001311049636 1051804603 /nfs/dbraw/zinc/80/46/03/1051804603.db2.gz IFUAMDFAFIFAFS-UHFFFAOYSA-N 0 1 376.501 3.659 20 10 GHCDMN COc1cccc(OCCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001312042291 1052543629 /nfs/dbraw/zinc/54/36/29/1052543629.db2.gz UIFLCWQCHSCXAF-UHFFFAOYSA-N 0 1 399.274 3.976 20 10 GHCDMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313211200 1052986103 /nfs/dbraw/zinc/98/61/03/1052986103.db2.gz CDSLRJFVSCIABS-QHCPKHFHSA-N 0 1 394.563 3.977 20 10 GHCDMN O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319799435 1055476768 /nfs/dbraw/zinc/47/67/68/1055476768.db2.gz YMIQMLRCHJDATP-UHFFFAOYSA-N 0 1 381.495 3.774 20 10 GHCDMN CN1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001320167848 1055688226 /nfs/dbraw/zinc/68/82/26/1055688226.db2.gz ZHEWQXGKCPBSEZ-FGZHOGPDSA-N 0 1 396.510 3.671 20 10 GHCDMN CN(c1ccc(CNC(=O)c2ccn(-c3ccncc3)n2)cc1)C1CCCCC1 ZINC001320812741 1055971416 /nfs/dbraw/zinc/97/14/16/1055971416.db2.gz OHIROEIDXTURKF-UHFFFAOYSA-N 0 1 389.503 3.966 20 10 GHCDMN Cc1nn(-c2ccccc2F)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000848532010 1057153474 /nfs/dbraw/zinc/15/34/74/1057153474.db2.gz ZAYCZZVIFTWOPQ-UHFFFAOYSA-N 0 1 398.457 3.585 20 10 GHCDMN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001450724949 1060668969 /nfs/dbraw/zinc/66/89/69/1060668969.db2.gz UUAIUBMKMZWLDL-SNVBAGLBSA-N 0 1 391.295 3.961 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)cc2F)CC1 ZINC001456127509 1062498680 /nfs/dbraw/zinc/49/86/80/1062498680.db2.gz JAKAEHBTQLMXJA-ZHALLVOQSA-N 0 1 375.532 3.656 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C3CC3)cc2F)CC1 ZINC001456131772 1062502625 /nfs/dbraw/zinc/50/26/25/1062502625.db2.gz WQEIPZGSMKVTBU-VQTJNVASSA-N 0 1 387.543 3.800 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001459678234 1064165910 /nfs/dbraw/zinc/16/59/10/1064165910.db2.gz WVFNMXSWFCZRTD-URXFXBBRSA-N 0 1 377.532 3.770 20 10 GHCDMN Cc1ccccc1CN1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001464086601 1064811431 /nfs/dbraw/zinc/81/14/31/1064811431.db2.gz KBUDQCWDANIYMJ-UHFFFAOYSA-N 0 1 396.512 3.969 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001200132104 1065304289 /nfs/dbraw/zinc/30/42/89/1065304289.db2.gz CNUNRUMLRWQHSP-UHFFFAOYSA-N 0 1 391.832 3.786 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cscc3C(F)F)cc2F)CC1 ZINC001352970939 1065527874 /nfs/dbraw/zinc/52/78/74/1065527874.db2.gz VVMUZEUPSQKDJI-UHFFFAOYSA-N 0 1 397.466 3.897 20 10 GHCDMN O=C(c1cccc(C(F)(F)F)c1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000847604990 1065735576 /nfs/dbraw/zinc/73/55/76/1065735576.db2.gz SXCLRMRESSZXPQ-AWEZNQCLSA-N 0 1 395.377 3.938 20 10 GHCDMN CC(C)[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCN1C ZINC001468339675 1067693651 /nfs/dbraw/zinc/69/36/51/1067693651.db2.gz VHQQILILIZRWPY-JOCHJYFZSA-N 0 1 386.584 3.937 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NCCC(C)(C)CC)cc2F)CC1 ZINC001477804823 1078573647 /nfs/dbraw/zinc/57/36/47/1078573647.db2.gz TWWLPRFIUJZWBV-UHFFFAOYSA-N 0 1 378.536 3.593 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N[C@H]3CC(C)(C)c4ccccc43)cc2)CC1 ZINC001469319124 1068099806 /nfs/dbraw/zinc/09/98/06/1068099806.db2.gz JXKHKFXCZUYPKI-QFIPXVFZSA-N 0 1 392.547 3.660 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000769512366 1068369702 /nfs/dbraw/zinc/36/97/02/1068369702.db2.gz DHKFWQRCJVUETN-AWEZNQCLSA-N 0 1 385.302 3.644 20 10 GHCDMN Cc1ccc(CC(C)(C)NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001471191666 1072960065 /nfs/dbraw/zinc/96/00/65/1072960065.db2.gz RKZHCORRYXTYBO-UHFFFAOYSA-N 0 1 394.563 3.567 20 10 GHCDMN Cc1cc(CN2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1N1CCCCC1 ZINC001473441633 1073964129 /nfs/dbraw/zinc/96/41/29/1073964129.db2.gz JPGJKRVUBWSOGT-OAQYLSRUSA-N 0 1 384.568 3.563 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC001474549252 1074459137 /nfs/dbraw/zinc/45/91/37/1074459137.db2.gz BVUXWPKMMLBOQO-MJGOQNOKSA-N 0 1 394.284 3.763 20 10 GHCDMN CCCOc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001475888467 1075041897 /nfs/dbraw/zinc/04/18/97/1075041897.db2.gz GJYIHQXNSHEROZ-UHFFFAOYSA-N 0 1 382.508 3.549 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000683485598 837395071 /nfs/dbraw/zinc/39/50/71/837395071.db2.gz CZXJZQQUQYCLKK-UHFFFAOYSA-N 0 1 391.519 3.653 20 10 GHCDMN CCN(CC)c1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160167939 834367883 /nfs/dbraw/zinc/36/78/83/834367883.db2.gz PCRWAVLOFSVBJL-QGZVFWFLSA-N 0 1 375.538 3.876 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000255953823 837818941 /nfs/dbraw/zinc/81/89/41/837818941.db2.gz UECNFVYYXIASFN-QRVBRYPASA-N 0 1 382.504 3.591 20 10 GHCDMN O=C(c1cc(C2CCCCC2)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179504539 835796046 /nfs/dbraw/zinc/79/60/46/835796046.db2.gz DWXVMPGPYDKEOJ-SFHVURJKSA-N 0 1 383.492 3.984 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000382440602 838125195 /nfs/dbraw/zinc/12/51/95/838125195.db2.gz DVLFYFRIKWKDJZ-IUODEOHRSA-N 0 1 399.329 3.938 20 10 GHCDMN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000121057253 838139175 /nfs/dbraw/zinc/13/91/75/838139175.db2.gz ARHPJQLTIMBASZ-UHFFFAOYSA-N 0 1 388.851 3.625 20 10 GHCDMN COc1cccc([C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)N(C)C)c1 ZINC000471511960 838643789 /nfs/dbraw/zinc/64/37/89/838643789.db2.gz VNDLYZVKUHEAGO-QFIPXVFZSA-N 0 1 394.519 3.597 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)N2CCCC2)o1 ZINC000725872836 839392945 /nfs/dbraw/zinc/39/29/45/839392945.db2.gz RPEMYBUNSYPCIB-OAQYLSRUSA-N 0 1 396.535 3.607 20 10 GHCDMN COc1ccc(-c2cnc(NCc3ccc(N4CCN(C)CC4)cc3)nc2)cc1 ZINC001167422876 839888846 /nfs/dbraw/zinc/88/88/46/839888846.db2.gz FOJWKYKNZNDNAB-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc4c(nn3)-c3ccccc3CCC4)cc2)CC1 ZINC001167426496 839929205 /nfs/dbraw/zinc/92/92/05/839929205.db2.gz GVDIEVLSQAEZFT-UHFFFAOYSA-N 0 1 399.542 3.996 20 10 GHCDMN Cc1ccc2c(Cl)nnc(NCc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC001167427122 839931468 /nfs/dbraw/zinc/93/14/68/839931468.db2.gz YWNUYDMNPQBGJA-UHFFFAOYSA-N 0 1 381.911 3.956 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)C3(CN4)CCOCC3)cc2)CC1 ZINC001167431001 840033046 /nfs/dbraw/zinc/03/30/46/840033046.db2.gz AULSYZMBYLRIDW-UHFFFAOYSA-N 0 1 392.547 3.524 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Br)ccc3Cl)cc2)CC1 ZINC001167434114 840167562 /nfs/dbraw/zinc/16/75/62/840167562.db2.gz CJOPDDMYFABNIW-UHFFFAOYSA-N 0 1 395.732 3.861 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc4cnccc4c3[N+](=O)[O-])cc2)CC1 ZINC001167434508 840178839 /nfs/dbraw/zinc/17/88/39/840178839.db2.gz NHWSFEIBMYHLKL-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(O[C@H]4CCCCO4)cc3)cc2)CC1 ZINC001167434874 840196426 /nfs/dbraw/zinc/19/64/26/840196426.db2.gz XFTIVRMNZZCBFB-QHCPKHFHSA-N 0 1 381.520 3.956 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccc3C)cc2F)CC1 ZINC001125976340 841015619 /nfs/dbraw/zinc/01/56/19/841015619.db2.gz WLKCKJUEIGCXRK-GOSISDBHSA-N 0 1 383.511 3.696 20 10 GHCDMN COc1cccc(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)c1O ZINC000759958760 842291368 /nfs/dbraw/zinc/29/13/68/842291368.db2.gz PFCFZCMAZWSDGC-UHFFFAOYSA-N 0 1 379.441 3.936 20 10 GHCDMN COc1cccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F ZINC000800223158 843538038 /nfs/dbraw/zinc/53/80/38/843538038.db2.gz SUTNAIREQOBJNZ-HUUCEWRRSA-N 0 1 376.447 3.877 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc2ccccc2c1[O-] ZINC000273496446 847356356 /nfs/dbraw/zinc/35/63/56/847356356.db2.gz XVNKMXHCRXGCAH-IIBYNOLFSA-N 0 1 375.472 3.782 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nc(C3CC3)c[nH]2)C1 ZINC000582686604 848021641 /nfs/dbraw/zinc/02/16/41/848021641.db2.gz XCJMRRLIWZZCIK-UHFFFAOYSA-N 0 1 377.492 3.647 20 10 GHCDMN O=C(Nc1ccccc1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731851841 861908247 /nfs/dbraw/zinc/90/82/47/861908247.db2.gz GYZSMWFZYRVMDZ-OAHLLOKOSA-N 0 1 377.847 3.971 20 10 GHCDMN CC(=O)c1cnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000435867959 850942962 /nfs/dbraw/zinc/94/29/62/850942962.db2.gz BNVTZFYUTPCGIQ-UHFFFAOYSA-N 0 1 396.516 3.706 20 10 GHCDMN CC(C)[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCO1 ZINC000436051092 851149862 /nfs/dbraw/zinc/14/98/62/851149862.db2.gz PLAUQFBLYICLCK-FDDCHVKYSA-N 0 1 397.563 3.728 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1Oc1cccnc1 ZINC000516237704 852310484 /nfs/dbraw/zinc/31/04/84/852310484.db2.gz GJOPIEMPCINVIR-UHFFFAOYSA-N 0 1 398.469 3.988 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H](c3nc(C)n[nH]3)C2)c(C)n1-c1ccccc1 ZINC000760965036 856814334 /nfs/dbraw/zinc/81/43/34/856814334.db2.gz LOXPDZJBMQFVAL-GOSISDBHSA-N 0 1 377.492 3.583 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccc1 ZINC000760965036 856814362 /nfs/dbraw/zinc/81/43/62/856814362.db2.gz LOXPDZJBMQFVAL-GOSISDBHSA-N 0 1 377.492 3.583 20 10 GHCDMN O=S(=O)(c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1)N1CCCCC1 ZINC000733322770 862864497 /nfs/dbraw/zinc/86/44/97/862864497.db2.gz CPPRNYFPLIFDBK-UHFFFAOYSA-N 0 1 394.924 3.510 20 10 GHCDMN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000733321445 862865072 /nfs/dbraw/zinc/86/50/72/862865072.db2.gz SWMQGKARJCZTSD-QGZVFWFLSA-N 0 1 376.378 3.535 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC2(F)F)C1 ZINC000672497056 857407596 /nfs/dbraw/zinc/40/75/96/857407596.db2.gz YMMZHGQZLRZEBZ-LJQANCHMSA-N 0 1 375.463 3.712 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000060630214 859705535 /nfs/dbraw/zinc/70/55/35/859705535.db2.gz FXQPYZQAVCJXJB-UHFFFAOYSA-N 0 1 380.473 3.528 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000765308265 859906475 /nfs/dbraw/zinc/90/64/75/859906475.db2.gz UKXHGSRHBBSECX-UHFFFAOYSA-N 0 1 378.476 3.814 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)C[C@H](C)c2ccccc2)c1 ZINC000727427248 860091127 /nfs/dbraw/zinc/09/11/27/860091127.db2.gz FFEOBTWXPFWUHD-SFHVURJKSA-N 0 1 396.531 3.663 20 10 GHCDMN COc1cc(C)cc(CN2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC000783535151 860513491 /nfs/dbraw/zinc/51/34/91/860513491.db2.gz MZYIZGSLNYDZLU-CALCHBBNSA-N 0 1 376.497 3.683 20 10 GHCDMN CCCOc1cccc(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)c1 ZINC000730194172 860937597 /nfs/dbraw/zinc/93/75/97/860937597.db2.gz KXZFQMXQBMRPBP-UHFFFAOYSA-N 0 1 399.510 3.686 20 10 GHCDMN C[C@H](NCc1ccc(Br)cn1)c1ccc(N2CCOCC2)cc1 ZINC000733798652 863190922 /nfs/dbraw/zinc/19/09/22/863190922.db2.gz XUZMFRIQORAACX-AWEZNQCLSA-N 0 1 376.298 3.532 20 10 GHCDMN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000186141909 863293836 /nfs/dbraw/zinc/29/38/36/863293836.db2.gz SANMEKCMZLXCTA-AWEZNQCLSA-N 0 1 390.530 3.544 20 10 GHCDMN CCCCNC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792790051 881667418 /nfs/dbraw/zinc/66/74/18/881667418.db2.gz PCAYXSTYUPIGER-UHFFFAOYSA-N 0 1 385.474 3.900 20 10 GHCDMN CN(C)c1ccc(CN2CCC(CN3CCCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000792827881 881716631 /nfs/dbraw/zinc/71/66/31/881716631.db2.gz GBRBBVNWIPNDDT-UHFFFAOYSA-N 0 1 397.485 3.996 20 10 GHCDMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000127187698 866029560 /nfs/dbraw/zinc/02/95/60/866029560.db2.gz DRZOEOFFDYFLCO-ZDUSSCGKSA-N 0 1 387.281 3.928 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000070976562 866229886 /nfs/dbraw/zinc/22/98/86/866229886.db2.gz RLVFSFPAKVXTKV-GIVPXCGWSA-N 0 1 386.536 3.554 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000793191436 882006663 /nfs/dbraw/zinc/00/66/63/882006663.db2.gz KQASRUCEGBALGL-SWLSCSKDSA-N 0 1 384.364 3.907 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CCCC(C)(C)CC3)cc2F)CC1 ZINC000745808501 869830516 /nfs/dbraw/zinc/83/05/16/869830516.db2.gz MDJIUJAPXUFOQR-UHFFFAOYSA-N 0 1 390.547 3.689 20 10 GHCDMN CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000793690368 882368248 /nfs/dbraw/zinc/36/82/48/882368248.db2.gz VSJJYSSIYVNSBP-AYOQOUSVSA-N 0 1 394.943 3.722 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])[C@@]12CCCO2 ZINC000775555147 870752695 /nfs/dbraw/zinc/75/26/95/870752695.db2.gz KAHQAEGQIZJQFS-OWLYRPNTSA-N 0 1 384.314 3.922 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000775555675 870797419 /nfs/dbraw/zinc/79/74/19/870797419.db2.gz OBQCXEVWXPMDRB-GOSISDBHSA-N 0 1 394.924 3.826 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000775581324 870954760 /nfs/dbraw/zinc/95/47/60/870954760.db2.gz YGZQEMUXCPVPDN-AGIUHOORSA-N 0 1 385.302 3.672 20 10 GHCDMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(O)c(O)c1Cl ZINC001193236608 870964621 /nfs/dbraw/zinc/96/46/21/870964621.db2.gz JJHWRWPTTRMDDQ-UHFFFAOYSA-N 0 1 380.231 3.644 20 10 GHCDMN Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)c3cc(O)c(O)c(Cl)c3)c21 ZINC001193589508 871176096 /nfs/dbraw/zinc/17/60/96/871176096.db2.gz LEDWEIGIGDINGU-UHFFFAOYSA-N 0 1 386.717 3.602 20 10 GHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001193611517 871187726 /nfs/dbraw/zinc/18/77/26/871187726.db2.gz HGJNIDFJWQYFQQ-UHFFFAOYSA-N 0 1 398.887 3.613 20 10 GHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001193602343 871210154 /nfs/dbraw/zinc/21/01/54/871210154.db2.gz AKYOLTFNTBNPKZ-HRAATJIYSA-N 0 1 387.863 3.930 20 10 GHCDMN Cc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)N2CCCC2)o1 ZINC000101527619 872067009 /nfs/dbraw/zinc/06/70/09/872067009.db2.gz NVQIZHREOAKQKB-HXUWFJFHSA-N 0 1 392.503 3.957 20 10 GHCDMN COc1ccc(N(C)CCN(C)[C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC001195788759 872663698 /nfs/dbraw/zinc/66/36/98/872663698.db2.gz ITNDUVOEWOSRGS-QFIPXVFZSA-N 0 1 381.520 3.567 20 10 GHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000921188589 882677997 /nfs/dbraw/zinc/67/79/97/882677997.db2.gz HVNFHJSSRYGVLQ-UHFFFAOYSA-N 0 1 375.900 3.766 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196434533 873084977 /nfs/dbraw/zinc/08/49/77/873084977.db2.gz DXOYNIXBJPAITC-UHFFFAOYSA-N 0 1 391.832 3.786 20 10 GHCDMN COc1cc2c(c(CN(Cc3ccccc3O)C[C@H]3CCCO3)c1)O[C@H](C)C2 ZINC000768162073 873122547 /nfs/dbraw/zinc/12/25/47/873122547.db2.gz KNSRWZCOVQYLED-OXQOHEQNSA-N 0 1 383.488 3.905 20 10 GHCDMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768919882 873688767 /nfs/dbraw/zinc/68/87/67/873688767.db2.gz ZEMLQBYPJQGLLZ-JOCHJYFZSA-N 0 1 376.504 3.747 20 10 GHCDMN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768919882 873688775 /nfs/dbraw/zinc/68/87/75/873688775.db2.gz ZEMLQBYPJQGLLZ-JOCHJYFZSA-N 0 1 376.504 3.747 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cc(Br)ccc1[O-] ZINC000527995661 873863786 /nfs/dbraw/zinc/86/37/86/873863786.db2.gz AUGNJVKGRMNLHQ-GOEBONIOSA-N 0 1 375.266 3.759 20 10 GHCDMN Fc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1N1CCOCC1 ZINC000769316647 873962746 /nfs/dbraw/zinc/96/27/46/873962746.db2.gz MUGNOSDWTXLSSK-LJQANCHMSA-N 0 1 384.451 3.728 20 10 GHCDMN CN(C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000769332265 873973122 /nfs/dbraw/zinc/97/31/22/873973122.db2.gz JOMAEFDJZHINDE-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN CN(C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC000769332265 873973131 /nfs/dbraw/zinc/97/31/31/873973131.db2.gz JOMAEFDJZHINDE-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN CCOc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000769473252 874093040 /nfs/dbraw/zinc/09/30/40/874093040.db2.gz MHUCCHGMDFARBX-LJQANCHMSA-N 0 1 396.487 3.719 20 10 GHCDMN CN(C)c1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1F ZINC000769527217 874133506 /nfs/dbraw/zinc/13/35/06/874133506.db2.gz CCPFNIWMHDLNJW-GOSISDBHSA-N 0 1 381.289 3.820 20 10 GHCDMN Cc1noc(C)c1CCOC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769663220 874221094 /nfs/dbraw/zinc/22/10/94/874221094.db2.gz MOKVFRXJRFNERJ-UHFFFAOYSA-N 0 1 395.503 3.799 20 10 GHCDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775834612 874339863 /nfs/dbraw/zinc/33/98/63/874339863.db2.gz BGSAPSAEELXZSY-GFCCVEGCSA-N 0 1 376.844 3.604 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccc4[nH]ccc4c3)CC2)cc1 ZINC001198448751 874433927 /nfs/dbraw/zinc/43/39/27/874433927.db2.gz AURXPPWIEWEMMM-UHFFFAOYSA-N 0 1 390.531 3.730 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000858096946 882840828 /nfs/dbraw/zinc/84/08/28/882840828.db2.gz UQOKJJWJAZVWOD-UHFFFAOYSA-N 0 1 376.294 3.993 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000858097483 882841508 /nfs/dbraw/zinc/84/15/08/882841508.db2.gz NZUARIKELXCLBA-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN Oc1cccc(Br)c1CNCc1ccnc(OCC(F)(F)F)c1 ZINC000858097483 882841527 /nfs/dbraw/zinc/84/15/27/882841527.db2.gz NZUARIKELXCLBA-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000858108023 882852625 /nfs/dbraw/zinc/85/26/25/882852625.db2.gz QVSXBMMQOBIWPP-CYBMUJFWSA-N 0 1 379.273 3.910 20 10 GHCDMN COc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1F ZINC000771057414 875014496 /nfs/dbraw/zinc/01/44/96/875014496.db2.gz JCRZVHDTLGSPRR-INIZCTEOSA-N 0 1 392.858 3.588 20 10 GHCDMN CN1CCN(c2ccc(C=C(Cl)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1 ZINC000771517184 875308941 /nfs/dbraw/zinc/30/89/41/875308941.db2.gz DLPMDPJQHMHCEO-ATVHPVEESA-N 0 1 397.866 3.960 20 10 GHCDMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000776103224 875342936 /nfs/dbraw/zinc/34/29/36/875342936.db2.gz RSTCWNDRSQXJKE-FXAWDEMLSA-N 0 1 384.524 3.933 20 10 GHCDMN Cc1cccc(NC(=O)NC(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000771791655 875462572 /nfs/dbraw/zinc/46/25/72/875462572.db2.gz QFUPGAVPCPDMJT-UHFFFAOYSA-N 0 1 394.519 3.682 20 10 GHCDMN CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000771792203 875463795 /nfs/dbraw/zinc/46/37/95/875463795.db2.gz XLAUCBBGVJFIKB-UHFFFAOYSA-N 0 1 382.508 3.560 20 10 GHCDMN CS(=O)(=O)Nc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000771925135 875530114 /nfs/dbraw/zinc/53/01/14/875530114.db2.gz YLRVNFUNCQJJDR-UHFFFAOYSA-N 0 1 386.473 3.559 20 10 GHCDMN C[C@H](O)[C@@](C)(C[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC001202289749 876109783 /nfs/dbraw/zinc/10/97/83/876109783.db2.gz VIXPGUQPTORWGY-IFXJQAMLSA-N 0 1 378.310 3.874 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C(F)F)nc1 ZINC000850427075 876910041 /nfs/dbraw/zinc/91/00/41/876910041.db2.gz LWSLBBCDIQUIIU-ZDUSSCGKSA-N 0 1 379.426 3.970 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@@H](c3cnn(C)c3)c3cccc(F)c3)C2)cc1 ZINC000850487105 876962571 /nfs/dbraw/zinc/96/25/71/876962571.db2.gz FUUVFJBWIGNATB-SIKLNZKXSA-N 0 1 380.467 3.526 20 10 GHCDMN COC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])ccc1Cl ZINC000850515190 876986047 /nfs/dbraw/zinc/98/60/47/876986047.db2.gz JGWBFDMIBFVIBR-VIFPVBQESA-N 0 1 399.672 3.841 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2ccnc(N(C)C)n2)cc1 ZINC000776497416 877239984 /nfs/dbraw/zinc/23/99/84/877239984.db2.gz UNDJWVJRDKJBSK-UHFFFAOYSA-N 0 1 375.520 3.859 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787288156 877297254 /nfs/dbraw/zinc/29/72/54/877297254.db2.gz IJOPTROCLPEVDD-CYBMUJFWSA-N 0 1 381.245 3.732 20 10 GHCDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852128540 878090157 /nfs/dbraw/zinc/09/01/57/878090157.db2.gz RFPDZCVHKPODJA-AWEZNQCLSA-N 0 1 399.926 3.592 20 10 GHCDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nc1 ZINC000093534457 912324672 /nfs/dbraw/zinc/32/46/72/912324672.db2.gz XDUSJUUTKYTMNY-GFCCVEGCSA-N 0 1 383.235 3.689 20 10 GHCDMN CN1CCN(c2ccc(CN(CCC(F)(F)F)CC(F)(F)F)cc2)CC1 ZINC000790932484 880072047 /nfs/dbraw/zinc/07/20/47/880072047.db2.gz HKYRIYYBFCRGOG-UHFFFAOYSA-N 0 1 383.380 3.755 20 10 GHCDMN CC(=O)c1ccc(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)c(F)c1 ZINC000792157728 880947757 /nfs/dbraw/zinc/94/77/57/880947757.db2.gz ZVIRCGYDUWHXMO-UHFFFAOYSA-N 0 1 380.822 3.849 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000919952450 881242909 /nfs/dbraw/zinc/24/29/09/881242909.db2.gz ZZXHSUVWYBJRLX-UHFFFAOYSA-N 0 1 395.890 3.942 20 10 GHCDMN O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000919952450 881242922 /nfs/dbraw/zinc/24/29/22/881242922.db2.gz ZZXHSUVWYBJRLX-UHFFFAOYSA-N 0 1 395.890 3.942 20 10 GHCDMN O=C(NCCc1ccc2c(c1)CCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000805114358 883588349 /nfs/dbraw/zinc/58/83/49/883588349.db2.gz SPMRXLRMCSEFRD-UHFFFAOYSA-N 0 1 381.259 3.676 20 10 GHCDMN Cc1ccc2[nH]c(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)nc2c1 ZINC000805167389 883650735 /nfs/dbraw/zinc/65/07/35/883650735.db2.gz FDYAVUSUEACJKC-UHFFFAOYSA-N 0 1 379.247 3.883 20 10 GHCDMN Cc1ccc2nc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)[nH]c2c1 ZINC000805167389 883650747 /nfs/dbraw/zinc/65/07/47/883650747.db2.gz FDYAVUSUEACJKC-UHFFFAOYSA-N 0 1 379.247 3.883 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000805280839 883734565 /nfs/dbraw/zinc/73/45/65/883734565.db2.gz IDGMBJXIBTVZOI-LBPRGKRZSA-N 0 1 389.185 3.910 20 10 GHCDMN O=C1N(CC(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237210 912784629 /nfs/dbraw/zinc/78/46/29/912784629.db2.gz WCGYJWGNAZFLPH-INIZCTEOSA-N 0 1 379.234 3.531 20 10 GHCDMN O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275237210 912784647 /nfs/dbraw/zinc/78/46/47/912784647.db2.gz WCGYJWGNAZFLPH-INIZCTEOSA-N 0 1 379.234 3.531 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Br)ccc2O)N1C1CCCC1 ZINC001275242544 912804747 /nfs/dbraw/zinc/80/47/47/912804747.db2.gz WHOGZDBKVXLWKK-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Br)ccc2[O-])N1C1CCCC1 ZINC001275242544 912804769 /nfs/dbraw/zinc/80/47/69/912804769.db2.gz WHOGZDBKVXLWKK-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Br)ccc2[O-])N1C1CCCC1 ZINC001275242544 912804780 /nfs/dbraw/zinc/80/47/80/912804780.db2.gz WHOGZDBKVXLWKK-IAGOWNOFSA-N 0 1 393.325 3.663 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509191 884311508 /nfs/dbraw/zinc/31/15/08/884311508.db2.gz ZZJWWBMYWAKWCL-HXUWFJFHSA-N 0 1 382.451 3.893 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C(F)(F)F ZINC001183853567 912856854 /nfs/dbraw/zinc/85/68/54/912856854.db2.gz BPJFXEFVATZXHA-DGCLKSJQSA-N 0 1 394.821 3.933 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C(F)(F)F ZINC001183853567 912856864 /nfs/dbraw/zinc/85/68/64/912856864.db2.gz BPJFXEFVATZXHA-DGCLKSJQSA-N 0 1 394.821 3.933 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1C ZINC000117540264 884740068 /nfs/dbraw/zinc/74/00/68/884740068.db2.gz WYEIAJLBGOXMBD-UHFFFAOYSA-N 0 1 375.475 3.631 20 10 GHCDMN Cc1cc(C2CCN(C(=O)c3ccccc3-n3c(C)cc(C=O)c3C)CC2)n[nH]1 ZINC000860567784 884809827 /nfs/dbraw/zinc/80/98/27/884809827.db2.gz PLQXEOCHHKVWIS-UHFFFAOYSA-N 0 1 390.487 3.958 20 10 GHCDMN CCN(CC)[C@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)c1ccccc1 ZINC001130745514 884986072 /nfs/dbraw/zinc/98/60/72/884986072.db2.gz ZIJDZKFHEYRBME-QFIPXVFZSA-N 0 1 383.536 3.673 20 10 GHCDMN C[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC001183919957 912908472 /nfs/dbraw/zinc/90/84/72/912908472.db2.gz RNVVRGOZEXZFHH-VIFPVBQESA-N 0 1 379.092 3.528 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC001183919957 912908478 /nfs/dbraw/zinc/90/84/78/912908478.db2.gz RNVVRGOZEXZFHH-VIFPVBQESA-N 0 1 379.092 3.528 20 10 GHCDMN COc1ccc2c(c1)OC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000807051697 885209685 /nfs/dbraw/zinc/20/96/85/885209685.db2.gz MODQEKIKNWZKII-CYBMUJFWSA-N 0 1 397.258 3.511 20 10 GHCDMN CSc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807511058 885496080 /nfs/dbraw/zinc/49/60/80/885496080.db2.gz FBFHJSVKRUUHON-UHFFFAOYSA-N 0 1 385.272 3.676 20 10 GHCDMN O=C(CCCn1c(=O)oc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807837277 885802188 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CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862242132 886241593 /nfs/dbraw/zinc/24/15/93/886241593.db2.gz XTFQHDXKXSEMII-CYBMUJFWSA-N 0 1 383.330 3.529 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862254231 886260068 /nfs/dbraw/zinc/26/00/68/886260068.db2.gz WZERFCJDDOHFEK-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862254231 886260082 /nfs/dbraw/zinc/26/00/82/886260082.db2.gz WZERFCJDDOHFEK-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])cccc1Br ZINC000862357620 886316620 /nfs/dbraw/zinc/31/66/20/886316620.db2.gz AGIBPEUWHHWDOK-AGUYFDCRSA-N 0 1 376.298 3.799 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1Br ZINC000862357620 886316638 /nfs/dbraw/zinc/31/66/38/886316638.db2.gz AGIBPEUWHHWDOK-AGUYFDCRSA-N 0 1 376.298 3.799 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N1C[C@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001168245035 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CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cncc(N(C)C)c2)C1 ZINC001132002826 888051348 /nfs/dbraw/zinc/05/13/48/888051348.db2.gz VQPNJWWYZGMVNH-UHFFFAOYSA-N 0 1 391.519 3.508 20 10 GHCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000747814570 890929294 /nfs/dbraw/zinc/92/92/94/890929294.db2.gz BZVCUADFZQEUAL-IBGZPJMESA-N 0 1 391.471 3.572 20 10 GHCDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000813131827 891287394 /nfs/dbraw/zinc/28/73/94/891287394.db2.gz ZOWJQUCTUFKVTK-UHFFFAOYSA-N 0 1 382.548 3.870 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)c1ccc(Cl)cc1F ZINC000813683642 891874362 /nfs/dbraw/zinc/87/43/62/891874362.db2.gz XNGUYKFVCFBVEW-AWEZNQCLSA-N 0 1 378.614 3.841 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCC(O)CC2)cc1 ZINC000813684355 891875900 /nfs/dbraw/zinc/87/59/00/891875900.db2.gz OPPSJGBCCQORMD-UHFFFAOYSA-N 0 1 395.286 3.590 20 10 GHCDMN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)cc1O ZINC000876986627 893420994 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CC(C)N1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CCOC[C@@H]3C)no2)C1 ZINC000567397801 897117597 /nfs/dbraw/zinc/11/75/97/897117597.db2.gz XUKYALSSGKTNKF-DLBZAZTESA-N 0 1 394.519 3.979 20 10 GHCDMN CC(C)c1nn(C)cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000568462583 897860402 /nfs/dbraw/zinc/86/04/02/897860402.db2.gz YDWQYEVMDOCOIW-UHFFFAOYSA-N 0 1 393.535 3.903 20 10 GHCDMN CCn1ccnc1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000569563911 898790601 /nfs/dbraw/zinc/79/06/01/898790601.db2.gz PWKIGEAHROCQSH-KRWDZBQOSA-N 0 1 393.535 3.502 20 10 GHCDMN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(CN4CCCCC4)o3)C2)cc1 ZINC000823202848 898898590 /nfs/dbraw/zinc/89/85/90/898898590.db2.gz ZHBYXEZCDYKUAT-GOSISDBHSA-N 0 1 397.519 3.530 20 10 GHCDMN CCn1nc2c(cc1=O)CN(Cc1ccc(N(C)Cc3cccs3)cc1)CC2 ZINC000823472013 899049204 /nfs/dbraw/zinc/04/92/04/899049204.db2.gz ZYUKYUYXUQQVSA-UHFFFAOYSA-N 0 1 394.544 3.519 20 10 GHCDMN Cc1cc(O)c(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000824556327 899685955 /nfs/dbraw/zinc/68/59/55/899685955.db2.gz PNLWYGLHYRQWGK-UHFFFAOYSA-N 0 1 376.859 3.841 20 10 GHCDMN Cc1cc(O)c(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1Cl ZINC000824555672 899686473 /nfs/dbraw/zinc/68/64/73/899686473.db2.gz HUELNIVIOWFXNJ-UHFFFAOYSA-N 0 1 376.859 3.841 20 10 GHCDMN CCN(C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)CC(F)(F)F ZINC000824894780 899863523 /nfs/dbraw/zinc/86/35/23/899863523.db2.gz JTNVUIYNNZLMJR-LBPRGKRZSA-N 0 1 395.263 3.861 20 10 GHCDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)CC(F)(F)F ZINC000824894780 899863536 /nfs/dbraw/zinc/86/35/36/899863536.db2.gz JTNVUIYNNZLMJR-LBPRGKRZSA-N 0 1 395.263 3.861 20 10 GHCDMN O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825119429 899990907 /nfs/dbraw/zinc/99/09/07/899990907.db2.gz CBQGPXBFQVMMPW-QGZVFWFLSA-N 0 1 389.293 3.608 20 10 GHCDMN COC1CCN(C2(C[NH2+]Cc3ccc(Br)cc3[O-])CCCC2)CC1 ZINC000825291539 900074575 /nfs/dbraw/zinc/07/45/75/900074575.db2.gz NDUBWXIXVHYPRZ-UHFFFAOYSA-N 0 1 397.357 3.668 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])c(O[C@H]2CCOC2)c1 ZINC000825341299 900104923 /nfs/dbraw/zinc/10/49/23/900104923.db2.gz GFMJTGQFLJFOQB-KRWDZBQOSA-N 0 1 392.293 3.921 20 10 GHCDMN CCCCNC(=O)NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216486107 900375743 /nfs/dbraw/zinc/37/57/43/900375743.db2.gz JWHDYOHPUPXHAA-QGZVFWFLSA-N 0 1 383.492 3.581 20 10 GHCDMN CCCC[N@@H+](C)CC1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206802 900598921 /nfs/dbraw/zinc/59/89/21/900598921.db2.gz UDNNUUOWUNCWAP-VURMDHGXSA-N 0 1 375.469 3.641 20 10 GHCDMN COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(Br)c(F)cc1O ZINC001144308097 901700608 /nfs/dbraw/zinc/70/06/08/901700608.db2.gz OPKKWWBLNLIRFQ-INIZCTEOSA-N 0 1 396.256 3.510 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981773 902490309 /nfs/dbraw/zinc/49/03/09/902490309.db2.gz QQCSKMRUVKKGNP-TZMCWYRMSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000778981773 902490317 /nfs/dbraw/zinc/49/03/17/902490317.db2.gz QQCSKMRUVKKGNP-TZMCWYRMSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000846998887 903378880 /nfs/dbraw/zinc/37/88/80/903378880.db2.gz FOXDPLXLARTPMM-WGSAOQKQSA-N 0 1 387.451 3.745 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000801590459 921171046 /nfs/dbraw/zinc/17/10/46/921171046.db2.gz KTVWRQWWPVXNKV-SFHVURJKSA-N 0 1 397.485 3.766 20 10 GHCDMN C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172961476 906070259 /nfs/dbraw/zinc/07/02/59/906070259.db2.gz UJOUOJQHIKFWKA-LBPRGKRZSA-N 0 1 387.318 3.890 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)n1-c1ccccn1 ZINC000179368088 906485928 /nfs/dbraw/zinc/48/59/28/906485928.db2.gz YBYOJXOLKRWOSH-KRWDZBQOSA-N 0 1 390.491 3.504 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CC[C@H](c3cccc(F)c3)C2(C)C)cc1 ZINC001175220103 907439609 /nfs/dbraw/zinc/43/96/09/907439609.db2.gz QFRULRJCFNAKRB-OAQYLSRUSA-N 0 1 383.511 3.776 20 10 GHCDMN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185027770 907699592 /nfs/dbraw/zinc/69/95/92/907699592.db2.gz TVRBIXHGMQTUFF-LBPRGKRZSA-N 0 1 377.282 3.755 20 10 GHCDMN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Br)ccc1[O-] ZINC000185068548 907706591 /nfs/dbraw/zinc/70/65/91/907706591.db2.gz DBFRPUKZRWNYDQ-AWEZNQCLSA-N 0 1 390.325 3.865 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1[O-] ZINC000186526498 907938732 /nfs/dbraw/zinc/93/87/32/907938732.db2.gz PVEUFRCJDMGCBS-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC001177938387 908825750 /nfs/dbraw/zinc/82/57/50/908825750.db2.gz QTDZGOLDLWIDQY-SWLSCSKDSA-N 0 1 384.904 3.896 20 10 GHCDMN CCN(CC)c1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000194754625 908920105 /nfs/dbraw/zinc/92/01/05/908920105.db2.gz FFXPPYUXVSFGFZ-NBVRZTHBSA-N 0 1 389.590 3.828 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)c2nccc(OC)c2c1 ZINC001179507298 909574804 /nfs/dbraw/zinc/57/48/04/909574804.db2.gz TUUGQKINEXSDPJ-UHFFFAOYSA-N 0 1 392.503 3.616 20 10 GHCDMN CCN(C)c1ccc(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000773835208 909769128 /nfs/dbraw/zinc/76/91/28/909769128.db2.gz WMDUMMXEWLCWLP-NRFANRHFSA-N 0 1 387.549 3.549 20 10 GHCDMN Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180112138 909966852 /nfs/dbraw/zinc/96/68/52/909966852.db2.gz HPTKRKAKDZGLFX-UHFFFAOYSA-N 0 1 388.103 3.888 20 10 GHCDMN Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC001180112138 909966863 /nfs/dbraw/zinc/96/68/63/909966863.db2.gz HPTKRKAKDZGLFX-UHFFFAOYSA-N 0 1 388.103 3.888 20 10 GHCDMN COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3ccccc3O)CCN2C2CC2)c1 ZINC000245931064 910006534 /nfs/dbraw/zinc/00/65/34/910006534.db2.gz IGIGSJJIFFDZMG-UNMCSNQZSA-N 0 1 395.503 3.520 20 10 GHCDMN CCOc1cccc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000092453516 911545616 /nfs/dbraw/zinc/54/56/16/911545616.db2.gz WSKNBWINKKDMQZ-UHFFFAOYSA-N 0 1 388.895 3.792 20 10 GHCDMN CCc1nn(C)c(OC)c1CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796347524 914880716 /nfs/dbraw/zinc/88/07/16/914880716.db2.gz UFEYYILADFVNHA-UHFFFAOYSA-N 0 1 390.531 3.844 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1[O-] ZINC000293571125 916272453 /nfs/dbraw/zinc/27/24/53/916272453.db2.gz BGRVLPBRCOVWBU-CQSZACIVSA-N 0 1 391.309 3.842 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1ccccc1C(F)(F)F ZINC000775318857 916898400 /nfs/dbraw/zinc/89/84/00/916898400.db2.gz LROWKGKENFIGPZ-AWEZNQCLSA-N 0 1 384.785 3.960 20 10 GHCDMN COC1CCN(c2ccc(CN3CCN([C@@H](C)c4cccnc4)CC3)cc2)CC1 ZINC000295088768 917136289 /nfs/dbraw/zinc/13/62/89/917136289.db2.gz RYZWPQYLPYXWNI-FQEVSTJZSA-N 0 1 394.563 3.576 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1cc(Br)ccc1[O-] ZINC000775486571 918242263 /nfs/dbraw/zinc/24/22/63/918242263.db2.gz CPSFYOPKWDQUDQ-INIZCTEOSA-N 0 1 395.297 3.816 20 10 GHCDMN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498363 918395584 /nfs/dbraw/zinc/39/55/84/918395584.db2.gz YPHNBWGJMYLAFW-CXAGYDPISA-N 0 1 391.309 3.900 20 10 GHCDMN CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(Br)ccc1[O-] ZINC000775500532 918427050 /nfs/dbraw/zinc/42/70/50/918427050.db2.gz QWAVXTWAKZTCOF-INIZCTEOSA-N 0 1 383.330 3.988 20 10 GHCDMN CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(Br)ccc1[O-] ZINC000775503725 918461425 /nfs/dbraw/zinc/46/14/25/918461425.db2.gz NHCPHTUAFHKAIK-HNNXBMFYSA-N 0 1 383.330 3.844 20 10 GHCDMN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Br)ccc1[O-] ZINC000802311550 922007139 /nfs/dbraw/zinc/00/71/39/922007139.db2.gz WRIREYQZWRYSDF-SKDZVZGDSA-N 0 1 398.341 3.763 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000903423410 923011763 /nfs/dbraw/zinc/01/17/63/923011763.db2.gz CKEPYTZFMFNCTP-KRWDZBQOSA-N 0 1 382.913 3.682 20 10 GHCDMN Nc1ccc(Cl)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440581 925796300 /nfs/dbraw/zinc/79/63/00/925796300.db2.gz YNGGWGPRKMNFBY-OAHLLOKOSA-N 0 1 394.302 3.676 20 10 GHCDMN Nc1ccc(Cc2nc(C(=O)N3CCN(CC4CCCCC4)CC3)cs2)cc1 ZINC000827814866 926043757 /nfs/dbraw/zinc/04/37/57/926043757.db2.gz JNSXDDXOOODDRX-UHFFFAOYSA-N 0 1 398.576 3.654 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)s1 ZINC000827942071 926369462 /nfs/dbraw/zinc/36/94/62/926369462.db2.gz MLZISYIOJJUZKA-AWEZNQCLSA-N 0 1 377.485 3.514 20 10 GHCDMN COc1ccc(N2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1F ZINC000753856287 929563656 /nfs/dbraw/zinc/56/36/56/929563656.db2.gz DALXBVXYPDBYBT-UHFFFAOYSA-N 0 1 391.874 3.639 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000758157568 929951583 /nfs/dbraw/zinc/95/15/83/929951583.db2.gz NLHRQERQEWVNNR-LJQANCHMSA-N 0 1 378.476 3.718 20 10 GHCDMN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000780657621 930570045 /nfs/dbraw/zinc/57/00/45/930570045.db2.gz LRMKCYQBNQZWEX-ATZDWAIDSA-N 0 1 394.943 3.722 20 10 GHCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)c2)CC1 ZINC000780733904 930588020 /nfs/dbraw/zinc/58/80/20/930588020.db2.gz NROVHWWIRPIFRD-UHFFFAOYSA-N 0 1 395.475 3.567 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c1 ZINC000781895849 931016278 /nfs/dbraw/zinc/01/62/78/931016278.db2.gz FNJFNYGQXSFCBT-UHFFFAOYSA-N 0 1 383.330 3.686 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905392 931021285 /nfs/dbraw/zinc/02/12/85/931021285.db2.gz OBGMEIPANBODOX-HUUCEWRRSA-N 0 1 397.357 3.980 20 10 GHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924795186 931542187 /nfs/dbraw/zinc/54/21/87/931542187.db2.gz LONPYJPDVNSUCU-QZTJIDSGSA-N 0 1 377.492 3.516 20 10 GHCDMN COc1ccc(N2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000783547239 931577851 /nfs/dbraw/zinc/57/78/51/931577851.db2.gz QHTVJIFCMZCKAN-UHFFFAOYSA-N 0 1 394.494 3.791 20 10 GHCDMN CC(C)n1cc([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000925162721 931685951 /nfs/dbraw/zinc/68/59/51/931685951.db2.gz WQGRPEMPYMORBD-LSDHHAIUSA-N 0 1 379.455 3.780 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(Br)cc1[O-] ZINC000797131098 932196110 /nfs/dbraw/zinc/19/61/10/932196110.db2.gz FGLIRQHCUXKLRA-AMXDTQDGSA-N 0 1 382.323 3.884 20 10 GHCDMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000797819993 932416885 /nfs/dbraw/zinc/41/68/85/932416885.db2.gz AEQXXVMTNBECNT-UHFFFAOYSA-N 0 1 381.759 3.874 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)CCCC3 ZINC000799952051 933186063 /nfs/dbraw/zinc/18/60/63/933186063.db2.gz DPFWJIWLHSASGN-KRWDZBQOSA-N 0 1 384.520 3.561 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)CCCC3 ZINC000799952051 933186068 /nfs/dbraw/zinc/18/60/68/933186068.db2.gz DPFWJIWLHSASGN-KRWDZBQOSA-N 0 1 384.520 3.561 20 10 GHCDMN CCOC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001116673330 933696054 /nfs/dbraw/zinc/69/60/54/933696054.db2.gz LWDTZQZYWAMJFU-KRWDZBQOSA-N 0 1 375.469 3.503 20 10 GHCDMN COC1CCN(c2ccc(CN3CCO[C@@]4(CCc5ccccc54)C3)cc2)CC1 ZINC000828480088 935642091 /nfs/dbraw/zinc/64/20/91/935642091.db2.gz KGKJDPSOIYOOBJ-VWLOTQADSA-N 0 1 392.543 3.976 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H](C3CCOCC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000828492983 935645033 /nfs/dbraw/zinc/64/50/33/935645033.db2.gz XSSQTJCPEQHKSN-GOSISDBHSA-N 0 1 385.483 3.559 20 10 GHCDMN CCc1nc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC001137716290 935743927 /nfs/dbraw/zinc/74/39/27/935743927.db2.gz AZYWXAKXQUQGLL-UHFFFAOYSA-N 0 1 388.269 3.789 20 10 GHCDMN CCc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 ZINC001137716290 935743931 /nfs/dbraw/zinc/74/39/31/935743931.db2.gz AZYWXAKXQUQGLL-UHFFFAOYSA-N 0 1 388.269 3.789 20 10 GHCDMN CCOC(=O)c1cnc2n1CCN(Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001137859348 935829896 /nfs/dbraw/zinc/82/98/96/935829896.db2.gz UKBUDKBQIMCLCY-UHFFFAOYSA-N 0 1 392.503 3.526 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001594538268 986165508 /nfs/dbraw/zinc/16/55/08/986165508.db2.gz KOFXWBKOTGDEOZ-IXDOHACOSA-N 0 1 398.503 3.550 20 10 GHCDMN COc1ccc2c(c1)n[nH]c2C(=O)n1c(=N)ccc(N=Nc2ccccc2)c1N ZINC001154464954 1032120554 /nfs/dbraw/zinc/12/05/54/1032120554.db2.gz HSOQZKSKQIAOQO-RICCLWDESA-N 0 1 387.403 3.539 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCc4c(Cl)ccnc43)cc2)C1 ZINC000924729915 1017008833 /nfs/dbraw/zinc/00/88/33/1017008833.db2.gz PNIYTLJIAGZPHJ-UZLBHIALSA-N 0 1 398.938 3.604 20 10 GHCDMN COc1cc2[nH]ncc2cc1C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001154801118 1032290253 /nfs/dbraw/zinc/29/02/53/1032290253.db2.gz ZPJVHPMMFCJQBC-FQEVSTJZSA-N 0 1 379.460 3.947 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](c2cccnc2)C2CC2)c1O ZINC001227495820 1032440770 /nfs/dbraw/zinc/44/07/70/1032440770.db2.gz XOGBAJTWAMUZDH-CQSZACIVSA-N 0 1 391.445 3.732 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)COc2ccccc2)c1O ZINC001227494045 1032440967 /nfs/dbraw/zinc/44/09/67/1032440967.db2.gz NHFXSNDMZCAYGX-GFCCVEGCSA-N 0 1 394.445 3.653 20 10 GHCDMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000193103427 1020912353 /nfs/dbraw/zinc/91/23/53/1020912353.db2.gz DZLVMIPMIRZVPX-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)CCO[C@@H]2C1 ZINC001140337895 1021441743 /nfs/dbraw/zinc/44/17/43/1021441743.db2.gz LPXDWVUOLRRXIP-RDTXWAMCSA-N 0 1 396.915 3.503 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)CCO[C@@H]2C1 ZINC001140337895 1021441749 /nfs/dbraw/zinc/44/17/49/1021441749.db2.gz LPXDWVUOLRRXIP-RDTXWAMCSA-N 0 1 396.915 3.503 20 10 GHCDMN COc1ccc(N2C[C@]3(CC[N@H+](Cc4c([O-])cccc4Cl)C3)CC2=O)cc1 ZINC001140338421 1021445335 /nfs/dbraw/zinc/44/53/35/1021445335.db2.gz IWGHGHFUFAQQPL-OAQYLSRUSA-N 0 1 386.879 3.683 20 10 GHCDMN COc1ccc(N2C[C@]3(CC[N@@H+](Cc4c([O-])cccc4Cl)C3)CC2=O)cc1 ZINC001140338421 1021445341 /nfs/dbraw/zinc/44/53/41/1021445341.db2.gz IWGHGHFUFAQQPL-OAQYLSRUSA-N 0 1 386.879 3.683 20 10 GHCDMN CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)cc1 ZINC001140342817 1021456579 /nfs/dbraw/zinc/45/65/79/1021456579.db2.gz ZKGFCXHOZUPAPP-KRWDZBQOSA-N 0 1 388.895 3.839 20 10 GHCDMN CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)cc1 ZINC001140342817 1021456585 /nfs/dbraw/zinc/45/65/85/1021456585.db2.gz ZKGFCXHOZUPAPP-KRWDZBQOSA-N 0 1 388.895 3.839 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H](CC(F)(F)F)O1 ZINC001206743336 1021522875 /nfs/dbraw/zinc/52/28/75/1021522875.db2.gz RFAJPQCZVOTGQD-LDYMZIIASA-N 0 1 386.183 3.836 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2ccccc2c1[O-] ZINC000834910170 1021672726 /nfs/dbraw/zinc/67/27/26/1021672726.db2.gz FXWQLSYUAVLUDO-WBVHZDCISA-N 0 1 386.492 3.832 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001140464815 1021757721 /nfs/dbraw/zinc/75/77/21/1021757721.db2.gz CMZKXUOKJSQFEE-SFHLNBCPSA-N 0 1 388.895 3.779 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001140464815 1021757740 /nfs/dbraw/zinc/75/77/40/1021757740.db2.gz CMZKXUOKJSQFEE-SFHLNBCPSA-N 0 1 388.895 3.779 20 10 GHCDMN COCCn1c(C)cc(C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000754668040 1022820828 /nfs/dbraw/zinc/82/08/28/1022820828.db2.gz KZTCLDABRRWWMR-UHFFFAOYSA-N 0 1 385.552 3.911 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000756351411 1023602271 /nfs/dbraw/zinc/60/22/71/1023602271.db2.gz JUZYREPSAIUTHS-LIRRHRJNSA-N 0 1 378.875 3.909 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756460803 1023664065 /nfs/dbraw/zinc/66/40/65/1023664065.db2.gz TUZXAJUUCQKCSG-JSGCOSHPSA-N 0 1 382.273 3.796 20 10 GHCDMN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756461784 1023664641 /nfs/dbraw/zinc/66/46/41/1023664641.db2.gz VRSIIYPJCNLKBI-ZBFHGGJFSA-N 0 1 394.309 3.862 20 10 GHCDMN COc1cc2c(cc1OC)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001204899765 1033154468 /nfs/dbraw/zinc/15/44/68/1033154468.db2.gz RXXILIOPTBIXSV-UHFFFAOYSA-N 0 1 392.293 3.773 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC001156656690 1033159426 /nfs/dbraw/zinc/15/94/26/1033159426.db2.gz YJORGCQPJGDPFA-UHFFFAOYSA-N 0 1 391.475 3.815 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc4ccccc4cc3[N+](=O)[O-])cc2)CC1 ZINC001156656895 1033159643 /nfs/dbraw/zinc/15/96/43/1033159643.db2.gz AZSXLOUYSOLUPB-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756661316 1023760840 /nfs/dbraw/zinc/76/08/40/1023760840.db2.gz QRBGODJCZUOTHG-MLGOLLRUSA-N 0 1 375.266 3.611 20 10 GHCDMN COc1ccccc1-c1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC001156660332 1033162964 /nfs/dbraw/zinc/16/29/64/1033162964.db2.gz VEAWHPVCVCQEND-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1[O-] ZINC000756777615 1023812149 /nfs/dbraw/zinc/81/21/49/1023812149.db2.gz JWLNRHYKMAYNNY-LLVKDONJSA-N 0 1 385.302 3.672 20 10 GHCDMN O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC2(CC2(F)F)C1 ZINC000830544411 1023977823 /nfs/dbraw/zinc/97/78/23/1023977823.db2.gz PNKJGCJCKMZQSK-DBQDNQAGSA-N 0 1 384.854 3.562 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC2(CC2(F)F)C1 ZINC000830544411 1023977828 /nfs/dbraw/zinc/97/78/28/1023977828.db2.gz PNKJGCJCKMZQSK-DBQDNQAGSA-N 0 1 384.854 3.562 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]2CF)CC1 ZINC001138123728 1024167578 /nfs/dbraw/zinc/16/75/78/1024167578.db2.gz JCMVGQNAUQPTAO-GJZGRUSLSA-N 0 1 382.451 3.606 20 10 GHCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001138126897 1024173533 /nfs/dbraw/zinc/17/35/33/1024173533.db2.gz LVOFLPFCFZDLSL-IRLDBZIGSA-N 0 1 386.467 3.514 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000830966530 1024278832 /nfs/dbraw/zinc/27/88/32/1024278832.db2.gz AHMPSLVAVQUCLX-HMXCVIKNSA-N 0 1 399.510 3.826 20 10 GHCDMN c1cc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cc2c1OCO2 ZINC001138215709 1024381175 /nfs/dbraw/zinc/38/11/75/1024381175.db2.gz QNOVBBPQYYPIJH-UHFFFAOYSA-N 0 1 393.531 3.723 20 10 GHCDMN CC(=O)c1ccc2c(c1)CN(Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138341802 1024702491 /nfs/dbraw/zinc/70/24/91/1024702491.db2.gz KNSIHPZCDWGVNZ-UHFFFAOYSA-N 0 1 376.500 3.852 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001138386910 1024759608 /nfs/dbraw/zinc/75/96/08/1024759608.db2.gz ZTXHFTGTDSFMGN-JTSKRJEESA-N 0 1 389.540 3.640 20 10 GHCDMN Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)n1 ZINC001141377515 1024774218 /nfs/dbraw/zinc/77/42/18/1024774218.db2.gz RDMFTEFXAMUCRH-ZDUSSCGKSA-N 0 1 398.688 3.560 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(-n4ccnc4C)cc3)CC2)c(OC)c1 ZINC001138549660 1024996923 /nfs/dbraw/zinc/99/69/23/1024996923.db2.gz BQYLDRNMRHKZCH-UHFFFAOYSA-N 0 1 392.503 3.520 20 10 GHCDMN CC(C)(C)c1nc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)n[nH]1 ZINC000838757494 1025349181 /nfs/dbraw/zinc/34/91/81/1025349181.db2.gz WVFPWHCRPUEKER-UHFFFAOYSA-N 0 1 385.512 3.852 20 10 GHCDMN Cc1c(CNCc2ccc(N3CCCCC3)c(Br)c2)cnn1C ZINC000838985134 1025502845 /nfs/dbraw/zinc/50/28/45/1025502845.db2.gz SYJPWIJCUGBISP-UHFFFAOYSA-N 0 1 377.330 3.771 20 10 GHCDMN Fc1cc(CN[C@H]2CSCCc3ccccc32)cc(F)c1N1CCOCC1 ZINC000839143868 1025638796 /nfs/dbraw/zinc/63/87/96/1025638796.db2.gz DGMVSRJOAZOXCE-FQEVSTJZSA-N 0 1 390.499 3.922 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000832620122 1025774888 /nfs/dbraw/zinc/77/48/88/1025774888.db2.gz BJKCVWXMUBGOCI-UHFFFAOYSA-N 0 1 378.822 3.707 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001139129044 1025940082 /nfs/dbraw/zinc/94/00/82/1025940082.db2.gz MAPFXYPDNHDCFJ-UHFFFAOYSA-N 0 1 396.462 3.654 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC001139127613 1025940403 /nfs/dbraw/zinc/94/04/03/1025940403.db2.gz ZBMMBVLXQYEEEX-MRXNPFEDSA-N 0 1 396.462 3.652 20 10 GHCDMN Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132812 1025945251 /nfs/dbraw/zinc/94/52/51/1025945251.db2.gz APHPKXCSSLMAQW-INIZCTEOSA-N 0 1 380.444 3.554 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc(OC(C)C)cn3)CC2)cc1 ZINC001164330108 1026488254 /nfs/dbraw/zinc/48/82/54/1026488254.db2.gz KWHXVPSPMJSVIN-UHFFFAOYSA-N 0 1 384.524 3.502 20 10 GHCDMN Oc1ccc(F)cc1CN1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001140053996 1026834235 /nfs/dbraw/zinc/83/42/35/1026834235.db2.gz HRGBUVJDLXKYFN-SIKLNZKXSA-N 0 1 386.467 3.514 20 10 GHCDMN COc1cccc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102733 1026883758 /nfs/dbraw/zinc/88/37/58/1026883758.db2.gz YCXPFPIGYAPISW-CYBMUJFWSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)n1 ZINC001140102733 1026883764 /nfs/dbraw/zinc/88/37/64/1026883764.db2.gz YCXPFPIGYAPISW-CYBMUJFWSA-N 0 1 393.281 3.602 20 10 GHCDMN CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001203577255 1027444831 /nfs/dbraw/zinc/44/48/31/1027444831.db2.gz AVIJDPOOTIZOBS-LJQANCHMSA-N 0 1 377.271 3.819 20 10 GHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203645813 1027503643 /nfs/dbraw/zinc/50/36/43/1027503643.db2.gz TWBIOJDDPWNPAY-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203645813 1027503652 /nfs/dbraw/zinc/50/36/52/1027503652.db2.gz TWBIOJDDPWNPAY-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001203656152 1027510752 /nfs/dbraw/zinc/51/07/52/1027510752.db2.gz JQLSKBMIICWLPA-DLVCFXQMSA-N 0 1 390.911 3.750 20 10 GHCDMN CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]2CCCO[C@H]12 ZINC001203656152 1027510762 /nfs/dbraw/zinc/51/07/62/1027510762.db2.gz JQLSKBMIICWLPA-DLVCFXQMSA-N 0 1 390.911 3.750 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc(OC)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203673471 1027523355 /nfs/dbraw/zinc/52/33/55/1027523355.db2.gz ZVHIYLXRTJEOQV-HXUWFJFHSA-N 0 1 399.535 3.923 20 10 GHCDMN O=C(NC1CCN(Cc2ccc(O)c(O)c2)CC1)c1ccccc1C(F)(F)F ZINC001203883096 1027677586 /nfs/dbraw/zinc/67/75/86/1027677586.db2.gz DRIDKXONIBKDPA-UHFFFAOYSA-N 0 1 394.393 3.511 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC001203938964 1027730871 /nfs/dbraw/zinc/73/08/71/1027730871.db2.gz HGYFZNLIPTUQDD-CTNGQTDRSA-N 0 1 381.520 3.862 20 10 GHCDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840760948 1027804761 /nfs/dbraw/zinc/80/47/61/1027804761.db2.gz LJQSWAHCNAVOAL-AWEZNQCLSA-N 0 1 391.418 3.869 20 10 GHCDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000840979088 1028019270 /nfs/dbraw/zinc/01/92/70/1028019270.db2.gz RISVYJQFUJIOGB-NXEZZACHSA-N 0 1 393.119 3.510 20 10 GHCDMN CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000841762764 1028920570 /nfs/dbraw/zinc/92/05/70/1028920570.db2.gz LBAQIHDBZXIMML-OAHLLOKOSA-N 0 1 386.330 3.763 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000843041135 1029782847 /nfs/dbraw/zinc/78/28/47/1029782847.db2.gz OURTYRZDDWODDR-ZBFHGGJFSA-N 0 1 395.341 3.982 20 10 GHCDMN CNC(=O)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccc(F)cc1C ZINC000843414773 1029987833 /nfs/dbraw/zinc/98/78/33/1029987833.db2.gz MPRJQKIQQWBOCN-LJQANCHMSA-N 0 1 380.463 3.687 20 10 GHCDMN COc1ccc(Cl)cc1-c1noc(-c2cc3cc(O)c(O)cc3oc2=O)n1 ZINC001217553644 1030488274 /nfs/dbraw/zinc/48/82/74/1030488274.db2.gz KJYYIEKJCCUOIL-UHFFFAOYSA-N 0 1 386.747 3.583 20 10 GHCDMN CC(C)(C)[NH+]1CCC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229199476 1033336508 /nfs/dbraw/zinc/33/65/08/1033336508.db2.gz VSSFWCUMRQJLNI-UHFFFAOYSA-N 0 1 395.455 3.515 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])CCN1c1ccccc1C(F)(F)F ZINC001205433958 1033410713 /nfs/dbraw/zinc/41/07/13/1033410713.db2.gz FZZYOVKRURJFCY-CQSZACIVSA-N 0 1 384.785 3.960 20 10 GHCDMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001205660117 1033514871 /nfs/dbraw/zinc/51/48/71/1033514871.db2.gz LVLXZORUGWWGLC-MRXNPFEDSA-N 0 1 382.273 3.983 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)c(C)cc2O)C1=O ZINC001277427949 1033770781 /nfs/dbraw/zinc/77/07/81/1033770781.db2.gz ZFTACQRBJGKUND-LIRRHRJNSA-N 0 1 395.341 3.829 20 10 GHCDMN COc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccnn4C(C)C)C3)C2)cc1 ZINC001207171374 1034142964 /nfs/dbraw/zinc/14/29/64/1034142964.db2.gz GGSMXNGNVMCDDE-HSZRJFAPSA-N 0 1 398.551 3.592 20 10 GHCDMN O=C1N(CC2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001277510887 1034549116 /nfs/dbraw/zinc/54/91/16/1034549116.db2.gz SKFINVXCVAYYIY-HXUWFJFHSA-N 0 1 380.891 3.799 20 10 GHCDMN CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453557 1034596013 /nfs/dbraw/zinc/59/60/13/1034596013.db2.gz IMYJTUXDORMVKA-UHFFFAOYSA-N 0 1 395.434 3.844 20 10 GHCDMN CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453557 1034596030 /nfs/dbraw/zinc/59/60/30/1034596030.db2.gz IMYJTUXDORMVKA-UHFFFAOYSA-N 0 1 395.434 3.844 20 10 GHCDMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001231454711 1034598724 /nfs/dbraw/zinc/59/87/24/1034598724.db2.gz UFNIGNCVAUANSL-HSZRJFAPSA-N 0 1 380.488 3.579 20 10 GHCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001231454711 1034598729 /nfs/dbraw/zinc/59/87/29/1034598729.db2.gz UFNIGNCVAUANSL-HSZRJFAPSA-N 0 1 380.488 3.579 20 10 GHCDMN Cc1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)nc1 ZINC001231468078 1034612359 /nfs/dbraw/zinc/61/23/59/1034612359.db2.gz AYPGFOHONNAIBG-UHFFFAOYSA-N 0 1 389.499 3.997 20 10 GHCDMN CC1(C)OC[C@H](CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)O1 ZINC001207932987 1034665391 /nfs/dbraw/zinc/66/53/91/1034665391.db2.gz SXPPBBCPGOOXKQ-IBGZPJMESA-N 0 1 393.487 3.768 20 10 GHCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)c1 ZINC001231563868 1034712593 /nfs/dbraw/zinc/71/25/93/1034712593.db2.gz FQIUURPUOPEIKR-CQSZACIVSA-N 0 1 376.250 3.842 20 10 GHCDMN O=C([O-])c1ccc(O)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)c1 ZINC001231564849 1034715426 /nfs/dbraw/zinc/71/54/26/1034715426.db2.gz ZWMDYKUORKRMKR-JAXLGGSGSA-N 0 1 379.456 3.787 20 10 GHCDMN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)O1 ZINC001231880072 1034963925 /nfs/dbraw/zinc/96/39/25/1034963925.db2.gz DGKNKYYWXOBXKL-HYBUGGRVSA-N 0 1 396.531 3.831 20 10 GHCDMN CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)O1 ZINC001231880072 1034963929 /nfs/dbraw/zinc/96/39/29/1034963929.db2.gz DGKNKYYWXOBXKL-HYBUGGRVSA-N 0 1 396.531 3.831 20 10 GHCDMN O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231880039 1034964066 /nfs/dbraw/zinc/96/40/66/1034964066.db2.gz BDHRJQBVIKNPQH-IBGZPJMESA-N 0 1 394.515 3.585 20 10 GHCDMN C[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001231883331 1034966767 /nfs/dbraw/zinc/96/67/67/1034966767.db2.gz OPDLASOJKXTQDJ-QFIPXVFZSA-N 0 1 376.500 3.878 20 10 GHCDMN 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C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001474669317 1074506991 /nfs/dbraw/zinc/50/69/91/1074506991.db2.gz ZTFFDDMJIYKKBQ-AWEZNQCLSA-N 0 1 392.229 3.849 20 10 GHCDMN C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001474689262 1074517069 /nfs/dbraw/zinc/51/70/69/1074517069.db2.gz NVIYQKCDNHAPFW-KRWDZBQOSA-N 0 1 379.504 3.729 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C2(CC2)C1 ZINC001474753336 1074546416 /nfs/dbraw/zinc/54/64/16/1074546416.db2.gz XBKIMDSTNPLPON-OAHLLOKOSA-N 0 1 397.313 3.644 20 10 GHCDMN CN(C)c1cc(F)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1F ZINC001656466837 1126257947 /nfs/dbraw/zinc/25/79/47/1126257947.db2.gz RFSYNZZLZAEXHH-SJLPKXTDSA-N 0 1 388.380 3.655 20 10 GHCDMN CN(C)c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cc1 ZINC000736778989 598887639 /nfs/dbraw/zinc/88/76/39/598887639.db2.gz JLRJSZOTJASCDY-UHFFFAOYSA-N 0 1 390.516 3.951 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC[C@H]1NC(=O)[O-] ZINC000739185249 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COc1cc(N2CCN(Cc3ccc4c(c3)CCC4)CC2)cc(OC)c1OC ZINC000759885403 840343734 /nfs/dbraw/zinc/34/37/34/840343734.db2.gz DCAMECMLIGUVHB-UHFFFAOYSA-N 0 1 382.504 3.523 20 10 GHCDMN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000588403727 840936885 /nfs/dbraw/zinc/93/68/85/840936885.db2.gz NDUNFKZUTGUKFY-LUAWRHEFSA-N 0 1 388.467 3.609 20 10 GHCDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404277 840942810 /nfs/dbraw/zinc/94/28/10/840942810.db2.gz HYCAMDWEBCGDKX-DAXSKMNVSA-N 0 1 384.501 3.607 20 10 GHCDMN CSc1ccnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000650551488 843197836 /nfs/dbraw/zinc/19/78/36/843197836.db2.gz XNIPTEKMUIJHBY-UHFFFAOYSA-N 0 1 395.532 3.558 20 10 GHCDMN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000273555274 847370576 /nfs/dbraw/zinc/37/05/76/847370576.db2.gz GSQKDTPNQYITBM-OAHLLOKOSA-N 0 1 387.911 3.565 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000435525515 850612472 /nfs/dbraw/zinc/61/24/72/850612472.db2.gz 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/nfs/dbraw/zinc/42/79/37/860427937.db2.gz GPSPDFNEQNOJSO-UHFFFAOYSA-N 0 1 376.456 3.824 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccccc3C)cc2F)CC1 ZINC000730111903 860876888 /nfs/dbraw/zinc/87/68/88/860876888.db2.gz QIJSMKQGHKGMNT-GOSISDBHSA-N 0 1 398.526 3.836 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cc2F)CC1 ZINC000730192933 860935107 /nfs/dbraw/zinc/93/51/07/860935107.db2.gz RKFKXXSZEXHEMO-OAQYLSRUSA-N 0 1 395.522 3.704 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2F)CC1 ZINC000730194336 860936893 /nfs/dbraw/zinc/93/68/93/860936893.db2.gz MTJNXMKJVAXUSR-WOJBJXKFSA-N 0 1 399.485 3.527 20 10 GHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000792702875 881628813 /nfs/dbraw/zinc/62/88/13/881628813.db2.gz GXBQSJDBIKUVIO-UHFFFAOYSA-N 0 1 388.854 3.785 20 10 GHCDMN CN(C)c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792787939 881665845 /nfs/dbraw/zinc/66/58/45/881665845.db2.gz JXUUNWPUKLUPLO-UHFFFAOYSA-N 0 1 397.485 3.996 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3[nH]cnc32)C1 ZINC000444239705 863729078 /nfs/dbraw/zinc/72/90/78/863729078.db2.gz CPHWPVWZGFKEON-UHFFFAOYSA-N 0 1 387.487 3.923 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@H](C)C2)C1 ZINC000444282525 863800310 /nfs/dbraw/zinc/80/03/10/863800310.db2.gz OWQFVKITBVKMEQ-QGZVFWFLSA-N 0 1 385.577 3.619 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000378899255 863850928 /nfs/dbraw/zinc/85/09/28/863850928.db2.gz BOAKZCVTFIXJOG-UHFFFAOYSA-N 0 1 399.329 3.891 20 10 GHCDMN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)N1CCCCCC1 ZINC000733931047 863872244 /nfs/dbraw/zinc/87/22/44/863872244.db2.gz LIINPDVBPKTSPS-MRXNPFEDSA-N 0 1 385.474 3.908 20 10 GHCDMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093282812 864704376 /nfs/dbraw/zinc/70/43/76/864704376.db2.gz UPYMKZMBEHWVBL-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN CCN(CC(=O)N[C@@H](C)c1cccs1)Cc1cc(Br)ccc1O ZINC000174424079 865789746 /nfs/dbraw/zinc/78/97/46/865789746.db2.gz YWLGIIFDAURMOC-LBPRGKRZSA-N 0 1 397.338 3.916 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000741678047 866716194 /nfs/dbraw/zinc/71/61/94/866716194.db2.gz IOCKBWFROFVFQE-MRXNPFEDSA-N 0 1 383.492 3.721 20 10 GHCDMN CCCc1ncc(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)o1 ZINC000456518253 866776053 /nfs/dbraw/zinc/77/60/53/866776053.db2.gz LNWUPMWBYJGXHM-UHFFFAOYSA-N 0 1 394.519 3.665 20 10 GHCDMN COc1ccc(C2([NH2+]Cc3cc(Br)ccc3[O-])CCOCC2)cc1 ZINC000742373157 867266103 /nfs/dbraw/zinc/26/61/03/867266103.db2.gz QJZCMXPYPWKBDV-UHFFFAOYSA-N 0 1 392.293 3.959 20 10 GHCDMN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1n[nH]c2ccccc21 ZINC000742806912 867590646 /nfs/dbraw/zinc/59/06/46/867590646.db2.gz UVBLAVTXSVHFCP-CYBMUJFWSA-N 0 1 386.402 3.563 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000743341245 868072869 /nfs/dbraw/zinc/07/28/69/868072869.db2.gz VWFPSXLJACUEMC-FQEVSTJZSA-N 0 1 386.540 3.960 20 10 GHCDMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000743380202 868176787 /nfs/dbraw/zinc/17/67/87/868176787.db2.gz IPZROUFYZDJMIM-VGSWGCGISA-N 0 1 388.552 3.828 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000743870818 868469736 /nfs/dbraw/zinc/46/97/36/868469736.db2.gz CACUHZOOGAYDGC-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000743870818 868469742 /nfs/dbraw/zinc/46/97/42/868469742.db2.gz CACUHZOOGAYDGC-QGZVFWFLSA-N 0 1 386.236 3.988 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCCC1(F)F ZINC000857472655 882285558 /nfs/dbraw/zinc/28/55/58/882285558.db2.gz NINBQTOBTWDAMH-HOTGVXAUSA-N 0 1 386.870 3.952 20 10 GHCDMN Cc1cccc(OCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857471822 882285720 /nfs/dbraw/zinc/28/57/20/882285720.db2.gz BTBGKXBLINACIK-GOSISDBHSA-N 0 1 388.895 3.514 20 10 GHCDMN CC(C)(C)c1cc(CN2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793700676 882384289 /nfs/dbraw/zinc/38/42/89/882384289.db2.gz UEDPURBUEHCYTN-HNNXBMFYSA-N 0 1 381.582 3.854 20 10 GHCDMN COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4ccccc4cc3[O-])CC2=O)cc1 ZINC001168910724 870995700 /nfs/dbraw/zinc/99/57/00/870995700.db2.gz ZUQJDGQFNIKPQA-OAQYLSRUSA-N 0 1 390.483 3.835 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000857757965 882519975 /nfs/dbraw/zinc/51/99/75/882519975.db2.gz YQBSZZRKAWEJHZ-QGZVFWFLSA-N 0 1 396.535 3.950 20 10 GHCDMN CCN(CC)c1ccc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)cc1F ZINC000775627513 872103475 /nfs/dbraw/zinc/10/34/75/872103475.db2.gz NCTANNDTZLXHGM-INIZCTEOSA-N 0 1 378.513 3.624 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H]2CCC(C)C)c1 ZINC000767760338 872817189 /nfs/dbraw/zinc/81/71/89/872817189.db2.gz VVDOFLHPULOVIB-QFIPXVFZSA-N 0 1 388.552 3.828 20 10 GHCDMN CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767763020 872818789 /nfs/dbraw/zinc/81/87/89/872818789.db2.gz QPXVDSPIKVOCMV-JOCHJYFZSA-N 0 1 388.552 3.972 20 10 GHCDMN Cc1c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n[nH]c1C1CC1 ZINC000767857790 872896625 /nfs/dbraw/zinc/89/66/25/872896625.db2.gz MWRRNFLBUHSVCM-UHFFFAOYSA-N 0 1 391.519 3.955 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@@H]1c1cccc(Br)c1)[C@H](O)CO2 ZINC000768442149 873305551 /nfs/dbraw/zinc/30/55/51/873305551.db2.gz JRDIBGMXVSESOF-SJLPKXTDSA-N 0 1 390.277 3.918 20 10 GHCDMN COC(=O)c1cccc(C)c1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001197031959 873555147 /nfs/dbraw/zinc/55/51/47/873555147.db2.gz WGDSSUZYCIOYKV-UHFFFAOYSA-N 0 1 377.462 3.720 20 10 GHCDMN O=C(CCc1ccc(F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917270 873686308 /nfs/dbraw/zinc/68/63/08/873686308.db2.gz WZSUICQWOPWHMU-IBGZPJMESA-N 0 1 390.886 3.898 20 10 GHCDMN COc1cc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccn1 ZINC000769663219 874220593 /nfs/dbraw/zinc/22/05/93/874220593.db2.gz MNXWZURZBKVUEA-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN CC(C)OCc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001198898878 874682499 /nfs/dbraw/zinc/68/24/99/874682499.db2.gz KNYSSCPBRWOILR-UHFFFAOYSA-N 0 1 396.535 3.685 20 10 GHCDMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000771055350 875012957 /nfs/dbraw/zinc/01/29/57/875012957.db2.gz BOSGGVXBAFCIGF-KXBFYZLASA-N 0 1 387.911 3.715 20 10 GHCDMN CCO[C@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771060093 875015943 /nfs/dbraw/zinc/01/59/43/875015943.db2.gz UCGVCLIBACMWQN-IEBWSBKVSA-N 0 1 382.932 3.577 20 10 GHCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Br)c(O[C@H]2CCOC2)c1 ZINC000858150270 882888331 /nfs/dbraw/zinc/88/83/31/882888331.db2.gz QDNIKPRVQIBXGD-HNNXBMFYSA-N 0 1 392.293 3.921 20 10 GHCDMN Cc1ccc(CNCc2c(O)cccc2Br)c(O[C@H]2CCOC2)c1 ZINC000858150270 882888348 /nfs/dbraw/zinc/88/83/48/882888348.db2.gz QDNIKPRVQIBXGD-HNNXBMFYSA-N 0 1 392.293 3.921 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000858158347 882895688 /nfs/dbraw/zinc/89/56/88/882895688.db2.gz HEQOECJPLBAROY-YGRLFVJLSA-N 0 1 382.220 3.728 20 10 GHCDMN CC(=O)N(Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)C1CC1 ZINC001201331619 875613375 /nfs/dbraw/zinc/61/33/75/875613375.db2.gz SBUCIVCYHCXUKV-UHFFFAOYSA-N 0 1 392.547 3.561 20 10 GHCDMN COc1ccc(N2CC[C@@H](NCc3cc(O)ccc3Br)C2)cc1 ZINC000850346064 876837712 /nfs/dbraw/zinc/83/77/12/876837712.db2.gz BUEUUGJHCSTVFZ-CQSZACIVSA-N 0 1 377.282 3.532 20 10 GHCDMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000786723793 876887333 /nfs/dbraw/zinc/88/73/33/876887333.db2.gz JGPAIONZFYBBDX-LBPRGKRZSA-N 0 1 385.869 3.569 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@H](C)c3ncc(Br)cc3F)C2)cc1 ZINC000850487459 876962075 /nfs/dbraw/zinc/96/20/75/876962075.db2.gz HBCFIEOUAXZZFJ-OCCSQVGLSA-N 0 1 394.288 3.921 20 10 GHCDMN CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850562864 877028357 /nfs/dbraw/zinc/02/83/57/877028357.db2.gz PRTAESISZDTWLU-CRAIPNDOSA-N 0 1 386.330 3.763 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1[O-] ZINC000787016064 877122505 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396.531 3.931 20 10 GHCDMN COc1cc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc(OC)c1 ZINC000180500487 878971442 /nfs/dbraw/zinc/97/14/42/878971442.db2.gz HBGKMIPKBGRMHW-UHFFFAOYSA-N 0 1 399.274 3.787 20 10 GHCDMN COc1cc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cc(OC)c1 ZINC000180500487 878971446 /nfs/dbraw/zinc/97/14/46/878971446.db2.gz HBGKMIPKBGRMHW-UHFFFAOYSA-N 0 1 399.274 3.787 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCC[C@@H]1O ZINC001203563863 912404530 /nfs/dbraw/zinc/40/45/30/912404530.db2.gz AHRANBYZCWPQOR-RNCFNFMXSA-N 0 1 393.119 3.510 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCC(C)(F)F)C1 ZINC000452197594 879124132 /nfs/dbraw/zinc/12/41/32/879124132.db2.gz CNBMIOBQQNGAQC-UHFFFAOYSA-N 0 1 377.479 3.959 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000790346327 879616565 /nfs/dbraw/zinc/61/65/65/879616565.db2.gz MBWWGTYCIINJMX-UHFFFAOYSA-N 0 1 379.331 3.750 20 10 GHCDMN CN1c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C(C)(C)C1=O ZINC000854474003 879836806 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Cc1nc2ccc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)cc2o1 ZINC000792238597 880998240 /nfs/dbraw/zinc/99/82/40/880998240.db2.gz SCJKFIOYQSIHFX-KRWDZBQOSA-N 0 1 399.878 3.890 20 10 GHCDMN C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(Br)cc1[O-] ZINC000858595611 883223009 /nfs/dbraw/zinc/22/30/09/883223009.db2.gz SGQNYMYYMFCLKS-WMLDXEAASA-N 0 1 394.309 3.773 20 10 GHCDMN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000185084525 883418318 /nfs/dbraw/zinc/41/83/18/883418318.db2.gz LPGMVCHGQNJFCB-GFCCVEGCSA-N 0 1 387.281 3.895 20 10 GHCDMN CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275235847 912764098 /nfs/dbraw/zinc/76/40/98/912764098.db2.gz DQQPWHZPIIUXQG-LJQANCHMSA-N 0 1 399.318 3.696 20 10 GHCDMN CC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@H]1CCCCO1 ZINC001130285628 883936423 /nfs/dbraw/zinc/93/64/23/883936423.db2.gz VFUFEJWZSMPGPF-NZQKXSOJSA-N 0 1 397.563 3.872 20 10 GHCDMN COc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1NC(C)=O ZINC000806209264 884453334 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CCc1csc(-n2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)n1 ZINC000807835256 885798945 /nfs/dbraw/zinc/79/89/45/885798945.db2.gz BSGNWAGZJYTWGB-UHFFFAOYSA-N 0 1 397.287 3.834 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncccc1Br ZINC000807837692 885800399 /nfs/dbraw/zinc/80/03/99/885800399.db2.gz ADWGROBBAHGWAG-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807836391 885800706 /nfs/dbraw/zinc/80/07/06/885800706.db2.gz VZWPVMWAQXOXTQ-AWEZNQCLSA-N 0 1 394.302 3.622 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000807837709 885800840 /nfs/dbraw/zinc/80/08/40/885800840.db2.gz BCPGZDHVROOBQI-NSHDSACASA-N 0 1 397.233 3.507 20 10 GHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000807839485 885805930 /nfs/dbraw/zinc/80/59/30/885805930.db2.gz FUDOGENWTSAZQO-VIFPVBQESA-N 0 1 377.268 3.619 20 10 GHCDMN Cc1cc(CCNC(=O)c2c[nH]c3ccccc3c2=O)c(C)n1-c1ccccc1 ZINC000915191768 885991564 /nfs/dbraw/zinc/99/15/64/885991564.db2.gz OFXPCIYERUAHEO-UHFFFAOYSA-N 0 1 385.467 3.908 20 10 GHCDMN O=[N+]([O-])c1cncc(Br)c1NCc1cc(Cl)cc(Cl)c1O ZINC000808089017 886008987 /nfs/dbraw/zinc/00/89/87/886008987.db2.gz GOAVSDFDMWUZED-UHFFFAOYSA-N 0 1 393.024 3.799 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1nc(-c2cccs2)oc1C ZINC000808093489 886012439 /nfs/dbraw/zinc/01/24/39/886012439.db2.gz PEOSBKGAWUDILH-UHFFFAOYSA-N 0 1 377.462 3.762 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000747470206 886159518 /nfs/dbraw/zinc/15/95/18/886159518.db2.gz ACASLDQETXWSEV-QHCPKHFHSA-N 0 1 381.472 3.721 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862254233 886260847 /nfs/dbraw/zinc/26/08/47/886260847.db2.gz WZERFCJDDOHFEK-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862254233 886260868 /nfs/dbraw/zinc/26/08/68/886260868.db2.gz WZERFCJDDOHFEK-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Br)ccc1[O-] ZINC000809701348 887682040 /nfs/dbraw/zinc/68/20/40/887682040.db2.gz DRGDRLPZJLYQNM-UHFFFAOYSA-N 0 1 388.265 3.879 20 10 GHCDMN C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Br)ccc1[O-] ZINC000809701348 887682045 /nfs/dbraw/zinc/68/20/45/887682045.db2.gz DRGDRLPZJLYQNM-UHFFFAOYSA-N 0 1 388.265 3.879 20 10 GHCDMN Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809713185 887733762 /nfs/dbraw/zinc/73/37/62/887733762.db2.gz LCYNYEZKGCNAIJ-ZDUSSCGKSA-N 0 1 377.282 3.970 20 10 GHCDMN Cc1ccc(CN(CC[NH+](C)C)Cc2cc(C)cc(Br)c2[O-])o1 ZINC000809735790 887769584 /nfs/dbraw/zinc/76/95/84/887769584.db2.gz SSZSIHAMLLKYIX-UHFFFAOYSA-N 0 1 381.314 3.928 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209400 888321009 /nfs/dbraw/zinc/32/10/09/888321009.db2.gz QNXXFWFOAGDDJZ-HNNXBMFYSA-N 0 1 377.370 3.628 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nc2cc(Cl)ccn2n1 ZINC000810249073 888348242 /nfs/dbraw/zinc/34/82/42/888348242.db2.gz LVOZYDCDNZMEPF-UHFFFAOYSA-N 0 1 386.626 3.717 20 10 GHCDMN CCOCc1nc([C@H](C)N[C@H](C)c2cc(Br)c(F)cc2O)no1 ZINC000810256339 888360231 /nfs/dbraw/zinc/36/02/31/888360231.db2.gz XTENFXONKSLKMJ-BDAKNGLRSA-N 0 1 388.237 3.625 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc([C@H](O)C(F)(F)F)cc3)cc2)CC1 ZINC000865664128 888505294 /nfs/dbraw/zinc/50/52/94/888505294.db2.gz CWYSCTMDAGLLGU-IBGZPJMESA-N 0 1 379.426 3.646 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNC[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000865683366 888513558 /nfs/dbraw/zinc/51/35/58/888513558.db2.gz WWCIMSATTCRTLN-KRWDZBQOSA-N 0 1 395.454 3.869 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3F)cc2F)CC1 ZINC000763365041 888854961 /nfs/dbraw/zinc/85/49/61/888854961.db2.gz DTWARGOUFDMFCS-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN CCC(CC)Oc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001132902509 889805296 /nfs/dbraw/zinc/80/52/96/889805296.db2.gz MJGWZOWUVMUSFI-UHFFFAOYSA-N 0 1 395.547 3.936 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)ccc1O ZINC000811691012 889898611 /nfs/dbraw/zinc/89/86/11/889898611.db2.gz IKXVEKZTQGLKMD-UHFFFAOYSA-N 0 1 381.413 3.705 20 10 GHCDMN CC1(C)C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811777226 889949439 /nfs/dbraw/zinc/94/94/39/889949439.db2.gz AZFVAIUZFBGUJC-DENIHFKCSA-N 0 1 381.472 3.718 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001133123546 890257411 /nfs/dbraw/zinc/25/74/11/890257411.db2.gz QFGSGAJYWDIBNF-UHFFFAOYSA-N 0 1 379.548 3.595 20 10 GHCDMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)ccc1[O-] ZINC000812739754 890922226 /nfs/dbraw/zinc/92/22/26/890922226.db2.gz CHKKPJBGYJFCLU-AAEUAGOBSA-N 0 1 393.256 3.750 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000825622380 891309029 /nfs/dbraw/zinc/30/90/29/891309029.db2.gz UPWIUOALAAGQNX-FZMZJTMJSA-N 0 1 382.220 3.728 20 10 GHCDMN C[C@@H](Cc1ccccc1)c1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)n[nH]1 ZINC001184997842 913596265 /nfs/dbraw/zinc/59/62/65/913596265.db2.gz RSTWURGLBJDCDO-HNNXBMFYSA-N 0 1 391.471 3.756 20 10 GHCDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000874043246 891965621 /nfs/dbraw/zinc/96/56/21/891965621.db2.gz RXAIRMRFUFWXIB-JOCHJYFZSA-N 0 1 377.525 3.910 20 10 GHCDMN COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822036 913648521 /nfs/dbraw/zinc/64/85/21/913648521.db2.gz XRCUFQGEQNLNOA-MRXNPFEDSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774822036 913648526 /nfs/dbraw/zinc/64/85/26/913648526.db2.gz XRCUFQGEQNLNOA-MRXNPFEDSA-N 0 1 388.420 3.663 20 10 GHCDMN CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(Cl)ccc2[O-])CC1 ZINC000814179566 892345452 /nfs/dbraw/zinc/34/54/52/892345452.db2.gz UOCHRACXYTVWKT-UHFFFAOYSA-N 0 1 379.913 3.515 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(Cl)ccc2[O-])CC1 ZINC000814179566 892345472 /nfs/dbraw/zinc/34/54/72/892345472.db2.gz UOCHRACXYTVWKT-UHFFFAOYSA-N 0 1 379.913 3.515 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC000825757200 892390501 /nfs/dbraw/zinc/39/05/01/892390501.db2.gz JYTWBONYPNVYGJ-HNNXBMFYSA-N 0 1 389.293 3.640 20 10 GHCDMN CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1)c1ccccc1 ZINC000825757200 892390516 /nfs/dbraw/zinc/39/05/16/892390516.db2.gz JYTWBONYPNVYGJ-HNNXBMFYSA-N 0 1 389.293 3.640 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000918184133 893320815 /nfs/dbraw/zinc/32/08/15/893320815.db2.gz VVKQRUXLSLIGAT-INIZCTEOSA-N 0 1 378.513 3.884 20 10 GHCDMN COc1ccc(F)c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000815115629 893448577 /nfs/dbraw/zinc/44/85/77/893448577.db2.gz KODHUHINCUGOFS-HUUCEWRRSA-N 0 1 376.447 3.877 20 10 GHCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000774854618 913801727 /nfs/dbraw/zinc/80/17/27/913801727.db2.gz YEISRVIZCDRENW-QFBILLFUSA-N 0 1 399.491 3.966 20 10 GHCDMN 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O=C1CCCN1C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825119428 899991354 /nfs/dbraw/zinc/99/13/54/899991354.db2.gz CBQGPXBFQVMMPW-KRWDZBQOSA-N 0 1 389.293 3.608 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000825138844 900000932 /nfs/dbraw/zinc/00/09/32/900000932.db2.gz ZFCICYCEDRAJPH-CYBMUJFWSA-N 0 1 379.273 3.910 20 10 GHCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428338 900137667 /nfs/dbraw/zinc/13/76/67/900137667.db2.gz JYWRURMUJYKNNZ-NSHDSACASA-N 0 1 375.835 3.948 20 10 GHCDMN CCn1nc(C)c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1C ZINC000573190785 900410362 /nfs/dbraw/zinc/41/03/62/900410362.db2.gz HBWZSGFIYQEPLL-UHFFFAOYSA-N 0 1 393.535 3.880 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CCc2cccnc21 ZINC000886506436 901095186 /nfs/dbraw/zinc/09/51/86/901095186.db2.gz SASPZLIAKAXYLZ-SFHVURJKSA-N 0 1 377.410 3.714 20 10 GHCDMN CCO[C@H](C)c1nc(CN2CCN(Cc3cc(C)ccc3O)CC2)cs1 ZINC000093737094 901560888 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O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1)cc2=O ZINC000846258412 902832384 /nfs/dbraw/zinc/83/23/84/902832384.db2.gz HKTAFRWTTCQPMX-ZPIQOJFGSA-N 0 1 398.488 3.653 20 10 GHCDMN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000801548201 921121220 /nfs/dbraw/zinc/12/12/20/921121220.db2.gz BSFWULRFWAEVCK-UHFFFAOYSA-N 0 1 395.547 3.582 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)N2CCCC2)o1 ZINC000773267397 904637636 /nfs/dbraw/zinc/63/76/36/904637636.db2.gz OPGLVCGINGFZJI-XLIONFOSSA-N 0 1 384.524 3.851 20 10 GHCDMN CCC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000779544392 907540136 /nfs/dbraw/zinc/54/01/36/907540136.db2.gz MMZPBYXSBIMOFA-XETPZZHUSA-N 0 1 380.488 3.624 20 10 GHCDMN CCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000192538665 907727241 /nfs/dbraw/zinc/72/72/41/907727241.db2.gz KWHIEVBBRPBCRL-GOSISDBHSA-N 0 1 381.520 3.545 20 10 GHCDMN CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)c1ccccc1 ZINC000777441592 908202922 /nfs/dbraw/zinc/20/29/22/908202922.db2.gz VNYFULSWPMSKEC-HXUWFJFHSA-N 0 1 395.547 3.565 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cc(-c4ccccn4)n[nH]3)cc2F)C[C@H](C)O1 ZINC001177334349 908530523 /nfs/dbraw/zinc/53/05/23/908530523.db2.gz PBWPJLILWCCCEW-IYBDPMFKSA-N 0 1 395.482 3.514 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)CC1 ZINC000194754654 908920740 /nfs/dbraw/zinc/92/07/40/908920740.db2.gz GKLKVQAFSWXEGF-GXDHUFHOSA-N 0 1 384.473 3.583 20 10 GHCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001179966350 909873635 /nfs/dbraw/zinc/87/36/35/909873635.db2.gz KMQMFTZJGJADKZ-GFCCVEGCSA-N 0 1 391.336 3.561 20 10 GHCDMN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001180092795 909913100 /nfs/dbraw/zinc/91/31/00/909913100.db2.gz NXAAPFFSHQOZSZ-KRWDZBQOSA-N 0 1 376.859 3.969 20 10 GHCDMN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1O ZINC001181072315 910545214 /nfs/dbraw/zinc/54/52/14/910545214.db2.gz GIUIKNGCOLKTGP-UHFFFAOYSA-N 0 1 389.320 3.864 20 10 GHCDMN Cc1ccc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000774141197 911409346 /nfs/dbraw/zinc/40/93/46/911409346.db2.gz AEKRIYBKNQABKA-UHFFFAOYSA-N 0 1 377.488 3.855 20 10 GHCDMN CC[C@H]1C[C@@H](OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCO1 ZINC000774183588 911501638 /nfs/dbraw/zinc/50/16/38/911501638.db2.gz NFAOFQWVGZIMBU-ROUUACIJSA-N 0 1 384.520 3.909 20 10 GHCDMN O=C(c1cc(-c2cccs2)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000097576258 915705307 /nfs/dbraw/zinc/70/53/07/915705307.db2.gz XDCWDFLSSNAVDH-HNNXBMFYSA-N 0 1 383.473 3.665 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775200072 916220190 /nfs/dbraw/zinc/22/01/90/916220190.db2.gz MLTJMVYNLQHJQZ-KRWDZBQOSA-N 0 1 394.309 3.805 20 10 GHCDMN CC(C)[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccccc1 ZINC000775200072 916220206 /nfs/dbraw/zinc/22/02/06/916220206.db2.gz MLTJMVYNLQHJQZ-KRWDZBQOSA-N 0 1 394.309 3.805 20 10 GHCDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1ccccc1C(F)(F)F ZINC000775318858 916898643 /nfs/dbraw/zinc/89/86/43/916898643.db2.gz LROWKGKENFIGPZ-CQSZACIVSA-N 0 1 384.785 3.960 20 10 GHCDMN COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cc(O)cc1C ZINC001191115066 917765086 /nfs/dbraw/zinc/76/50/86/917765086.db2.gz RTIRWPLAJIZQEQ-UHFFFAOYSA-N 0 1 386.267 3.581 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cccnc1OCCOC)c1cc(Br)ccc1[O-] ZINC000775486572 918242547 /nfs/dbraw/zinc/24/25/47/918242547.db2.gz CPSFYOPKWDQUDQ-MRXNPFEDSA-N 0 1 395.297 3.816 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775488861 918262500 /nfs/dbraw/zinc/26/25/00/918262500.db2.gz VQPNCDWFPGILGD-YOEHRIQHSA-N 0 1 380.282 3.635 20 10 GHCDMN CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cc(Cl)ccc1[O-] ZINC000775508605 918440575 /nfs/dbraw/zinc/44/05/75/918440575.db2.gz DNAKUMQFFFDYKO-HKUYNNGSSA-N 0 1 385.895 3.925 20 10 GHCDMN O=C(NCC1CCCC1)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275896048 919335496 /nfs/dbraw/zinc/33/54/96/919335496.db2.gz SHBMKPFGBQRRDY-SFHVURJKSA-N 0 1 376.928 3.954 20 10 GHCDMN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3-c3nnc[nH]3)ccc21 ZINC000364814834 920042667 /nfs/dbraw/zinc/04/26/67/920042667.db2.gz PPVCIBAUAKBWKP-UHFFFAOYSA-N 0 1 389.459 3.942 20 10 GHCDMN CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1nccs1 ZINC000901128609 920856363 /nfs/dbraw/zinc/85/63/63/920856363.db2.gz YTNUWFGWJJCGNW-OAHLLOKOSA-N 0 1 393.940 3.561 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Br)ccc1[O-] ZINC000802311547 922007333 /nfs/dbraw/zinc/00/73/33/922007333.db2.gz WRIREYQZWRYSDF-OWQGQXMQSA-N 0 1 398.341 3.763 20 10 GHCDMN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000902434830 922192302 /nfs/dbraw/zinc/19/23/02/922192302.db2.gz ZVCNLRXPHVKESR-UHFFFAOYSA-N 0 1 382.382 3.648 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000802655370 922311548 /nfs/dbraw/zinc/31/15/48/922311548.db2.gz VVZGQFOANBHSID-GOSISDBHSA-N 0 1 399.875 3.691 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000802656466 922314288 /nfs/dbraw/zinc/31/42/88/922314288.db2.gz OOEVJUVJLBHEIK-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000802656466 922314300 /nfs/dbraw/zinc/31/43/00/922314300.db2.gz OOEVJUVJLBHEIK-LJQANCHMSA-N 0 1 376.294 3.681 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1Cl ZINC000748462203 923671012 /nfs/dbraw/zinc/67/10/12/923671012.db2.gz BFSFDKADUPGJAV-SFHVURJKSA-N 0 1 375.900 3.928 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccsc3Cl)cc2F)CC1 ZINC000826719528 924101679 /nfs/dbraw/zinc/10/16/79/924101679.db2.gz MYRJKWZNYQAXQE-UHFFFAOYSA-N 0 1 381.904 3.613 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000827513548 925754650 /nfs/dbraw/zinc/75/46/50/925754650.db2.gz KPKLYWHJDWSDMQ-GDBMZVCRSA-N 0 1 396.274 3.814 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000373256655 925969495 /nfs/dbraw/zinc/96/94/95/925969495.db2.gz QUVDEVYVJJKMSE-NVXWUHKLSA-N 0 1 375.472 3.574 20 10 GHCDMN CNS(=O)(=O)c1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1C ZINC000390215237 926393553 /nfs/dbraw/zinc/39/35/53/926393553.db2.gz GCMDLPUJBFLMPX-UHFFFAOYSA-N 0 1 375.277 3.528 20 10 GHCDMN CC(C)COC(=O)N1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000725775081 926433803 /nfs/dbraw/zinc/43/38/03/926433803.db2.gz JXSPPQVDOQNCGF-UHFFFAOYSA-N 0 1 378.513 3.696 20 10 GHCDMN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108545 929646603 /nfs/dbraw/zinc/64/66/03/929646603.db2.gz FSFHNKXZNIRDFO-KSSFIOAISA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108545 929646607 /nfs/dbraw/zinc/64/66/07/929646607.db2.gz FSFHNKXZNIRDFO-KSSFIOAISA-N 0 1 394.487 3.859 20 10 GHCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108545 929646611 /nfs/dbraw/zinc/64/66/11/929646611.db2.gz FSFHNKXZNIRDFO-KSSFIOAISA-N 0 1 394.487 3.859 20 10 GHCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000780892268 930629992 /nfs/dbraw/zinc/62/99/92/930629992.db2.gz IVSDXELWYAQVDS-NXEZZACHSA-N 0 1 393.119 3.510 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1[O-] ZINC000781151277 930718181 /nfs/dbraw/zinc/71/81/81/930718181.db2.gz ZTYOZFBFQCFAOP-CQSZACIVSA-N 0 1 377.387 3.532 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000781903976 931020128 /nfs/dbraw/zinc/02/01/28/931020128.db2.gz DDCWGXDFEOQYBB-CYBMUJFWSA-N 0 1 399.329 3.810 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000781911574 931024838 /nfs/dbraw/zinc/02/48/38/931024838.db2.gz NWVVURGOZIEFTC-QFIPXVFZSA-N 0 1 382.323 3.833 20 10 GHCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1ccccc1C(F)(F)F ZINC000781931264 931033786 /nfs/dbraw/zinc/03/37/86/931033786.db2.gz SQUKGBFDCLKMBO-HNNXBMFYSA-N 0 1 384.785 3.738 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Br)ccc1O ZINC000797431349 932282676 /nfs/dbraw/zinc/28/26/76/932282676.db2.gz LJMBNJRFGQNCHA-UHFFFAOYSA-N 0 1 376.659 3.917 20 10 GHCDMN COc1ccccc1-n1nccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000797588611 932336154 /nfs/dbraw/zinc/33/61/54/932336154.db2.gz AAEBHHNQVISBMK-FQEVSTJZSA-N 0 1 393.487 3.768 20 10 GHCDMN CC[C@@H](NCc1nc2c(s1)COCC2)c1cc(Br)ccc1O ZINC000927122037 932421054 /nfs/dbraw/zinc/42/10/54/932421054.db2.gz RAUOXHKCVGKKAW-GFCCVEGCSA-N 0 1 383.311 3.925 20 10 GHCDMN Cc1cc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001124639470 935434361 /nfs/dbraw/zinc/43/43/61/935434361.db2.gz CUOIGSCYHYRKMI-RTBURBONSA-N 0 1 397.563 3.641 20 10 GHCDMN CC1(c2nnc(-c3cccnc3)o2)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000828039859 935568271 /nfs/dbraw/zinc/56/82/71/935568271.db2.gz GXGYUXBUXGLFLB-UHFFFAOYSA-N 0 1 389.503 3.895 20 10 GHCDMN COc1ccc(CN2CC[C@@]3(CCC[N@@H+](Cc4c([O-])cccc4F)C3)C2=O)cc1 ZINC001137834306 935813643 /nfs/dbraw/zinc/81/36/43/935813643.db2.gz BQWWTLCHUBXJPD-HSZRJFAPSA-N 0 1 398.478 3.555 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(OCc2cc(C)ccc2OC(C)C)c1O ZINC001227619944 1032488224 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1 394.853 3.573 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001140467125 1021761793 /nfs/dbraw/zinc/76/17/93/1021761793.db2.gz MHMHOLSCELHPEA-INIZCTEOSA-N 0 1 392.858 3.782 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(SC)oc3C)cc2F)CC1 ZINC000826719556 1021772069 /nfs/dbraw/zinc/77/20/69/1021772069.db2.gz OEZQTXKJHQNTMR-UHFFFAOYSA-N 0 1 391.512 3.521 20 10 GHCDMN CC(=O)N1CCC([N@@H+](C/C=C\c2ccc(N(C)C)cc2)Cc2cncs2)CC1 ZINC000835057214 1021826535 /nfs/dbraw/zinc/82/65/35/1021826535.db2.gz ZBAGVFYLYXGVQV-PLNGDYQASA-N 0 1 398.576 3.735 20 10 GHCDMN CC(=O)N1CCC(N(C/C=C\c2ccc(N(C)C)cc2)Cc2cncs2)CC1 ZINC000835057214 1021826551 /nfs/dbraw/zinc/82/65/51/1021826551.db2.gz ZBAGVFYLYXGVQV-PLNGDYQASA-N 0 1 398.576 3.735 20 10 GHCDMN Cc1cc(CN2CCc3c(Cl)c(O)c(O)cc3[C@@H](c3ccc(O)cc3)C2)[nH]n1 ZINC001203081548 1022965403 /nfs/dbraw/zinc/96/54/03/1022965403.db2.gz WQDPNPNGSSZSLS-GOSISDBHSA-N 0 1 399.878 3.679 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000836615420 1023170531 /nfs/dbraw/zinc/17/05/31/1023170531.db2.gz NISKQCOVVBXMHU-GOEBONIOSA-N 0 1 396.274 3.814 20 10 GHCDMN COc1cccc(C(=O)C2CCN(Cc3ccc4c(c3)OCCN4C)CC2)c1 ZINC001141140834 1023570245 /nfs/dbraw/zinc/57/02/45/1023570245.db2.gz PPQALUKCMDMQCH-UHFFFAOYSA-N 0 1 380.488 3.619 20 10 GHCDMN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756365637 1023609564 /nfs/dbraw/zinc/60/95/64/1023609564.db2.gz BIGPODOSHMNLPL-MGPQQGTHSA-N 0 1 385.346 3.693 20 10 GHCDMN C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc(Cl)ccc1[O-] ZINC000756455587 1023660662 /nfs/dbraw/zinc/66/06/62/1023660662.db2.gz AHUBDGIIWQLCNO-LLVKDONJSA-N 0 1 397.700 3.889 20 10 GHCDMN C[C@@H](NCc1nccn1CC(F)(F)F)c1cc(Br)ccc1O ZINC000756539067 1023705346 /nfs/dbraw/zinc/70/53/46/1023705346.db2.gz HMWYBJZZACCJMC-SECBINFHSA-N 0 1 378.192 3.764 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(C(C)(C)C)nc4[nH]ccc43)cc2)CC1 ZINC001156658226 1033160682 /nfs/dbraw/zinc/16/06/82/1033160682.db2.gz VOUNLPQFHXTIOF-UHFFFAOYSA-N 0 1 378.524 3.619 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccnc3Oc3ccccc3)cc2)CC1 ZINC001156660242 1033163033 /nfs/dbraw/zinc/16/30/33/1033163033.db2.gz UTUYNCNXYGIBBN-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN Cc1csc([C@H](C)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000830545026 1023978766 /nfs/dbraw/zinc/97/87/66/1023978766.db2.gz VSVCKWGDZXZHCS-CZUORRHYSA-N 0 1 393.940 3.695 20 10 GHCDMN C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162915 1023988708 /nfs/dbraw/zinc/98/87/08/1023988708.db2.gz KJHYBLWOCBXQQB-CQSZACIVSA-N 0 1 391.309 3.739 20 10 GHCDMN CCOc1ccc(CN2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC001205032643 1033219728 /nfs/dbraw/zinc/21/97/28/1033219728.db2.gz KQKSPRCKRJWIAH-UHFFFAOYSA-N 0 1 378.875 3.901 20 10 GHCDMN Cc1ccn2cc(CN(C)Cc3cc4c5c(c3O)CCCN5CCC4)nc2c1 ZINC001138341229 1024702387 /nfs/dbraw/zinc/70/23/87/1024702387.db2.gz KJYUIZRGMXWYAS-UHFFFAOYSA-N 0 1 376.504 3.679 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001141367834 1024741414 /nfs/dbraw/zinc/74/14/14/1024741414.db2.gz SOBGTTYAPLQKQS-UHFFFAOYSA-N 0 1 397.700 3.836 20 10 GHCDMN CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374586 1024767456 /nfs/dbraw/zinc/76/74/56/1024767456.db2.gz KLXURVYPTKLPDO-CYBMUJFWSA-N 0 1 389.721 3.545 20 10 GHCDMN CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374586 1024767464 /nfs/dbraw/zinc/76/74/64/1024767464.db2.gz KLXURVYPTKLPDO-CYBMUJFWSA-N 0 1 389.721 3.545 20 10 GHCDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141374946 1024767628 /nfs/dbraw/zinc/76/76/28/1024767628.db2.gz SOYUQCMBNWWVSH-CWSCBRNRSA-N 0 1 388.689 3.582 20 10 GHCDMN CCN(CC)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)c(OC)c1 ZINC001138391073 1024767833 /nfs/dbraw/zinc/76/78/33/1024767833.db2.gz BLHDBAFTXWUCQZ-PKOBYXMFSA-N 0 1 389.540 3.593 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccc(OC4CCOCC4)cc3)CC2)cc1 ZINC001141417606 1024970591 /nfs/dbraw/zinc/97/05/91/1024970591.db2.gz AZLGBWDWRYONQB-UHFFFAOYSA-N 0 1 396.531 3.965 20 10 GHCDMN C[N@@H+](Cc1ccccc1O)Cc1cc(Br)ccc1N1CCOCC1 ZINC001138671438 1025193942 /nfs/dbraw/zinc/19/39/42/1025193942.db2.gz NITOTFGVYYQHNH-UHFFFAOYSA-N 0 1 391.309 3.623 20 10 GHCDMN FC1(F)CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676724 1025202341 /nfs/dbraw/zinc/20/23/41/1025202341.db2.gz SMQRHSLVIABKHZ-UHFFFAOYSA-N 0 1 389.284 3.907 20 10 GHCDMN CC[C@H](C)N1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000832192246 1025313777 /nfs/dbraw/zinc/31/37/77/1025313777.db2.gz YVRHFSHRTRBISZ-HNNXBMFYSA-N 0 1 388.943 3.741 20 10 GHCDMN Brc1cc(CN2CCc3cn[nH]c3C2)ccc1N1CCCCC1 ZINC000838847195 1025392682 /nfs/dbraw/zinc/39/26/82/1025392682.db2.gz UEHBBSNYJQZDGW-UHFFFAOYSA-N 0 1 375.314 3.721 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)c(C)c1 ZINC001139083393 1025901109 /nfs/dbraw/zinc/90/11/09/1025901109.db2.gz PEPQIDNMNSLREU-UHFFFAOYSA-N 0 1 390.487 3.908 20 10 GHCDMN COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139132031 1025944886 /nfs/dbraw/zinc/94/48/86/1025944886.db2.gz SPXMSOJSHHWMAF-INIZCTEOSA-N 0 1 397.471 3.853 20 10 GHCDMN COc1ccc2c(c1)c(CN1CCN(c3ccc(OC)cc3C)CC1)cn2C ZINC001139150179 1025967980 /nfs/dbraw/zinc/96/79/80/1025967980.db2.gz XNJDMCYNNGKMTN-UHFFFAOYSA-N 0 1 379.504 3.826 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000839513171 1025997380 /nfs/dbraw/zinc/99/73/80/1025997380.db2.gz VYQNMRAWEJUKGW-UHFFFAOYSA-N 0 1 391.437 3.667 20 10 GHCDMN COC(=O)Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC001163430914 1026191757 /nfs/dbraw/zinc/19/17/57/1026191757.db2.gz BITSRUTUPQCHAT-UHFFFAOYSA-N 0 1 385.203 3.935 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139681595 1026535471 /nfs/dbraw/zinc/53/54/71/1026535471.db2.gz UNCFYCORAGQDRT-FQEVSTJZSA-N 0 1 382.451 3.893 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC001139681796 1026537572 /nfs/dbraw/zinc/53/75/72/1026537572.db2.gz YKRDXFHZXYFTRO-UHFFFAOYSA-N 0 1 385.389 3.867 20 10 GHCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099542 1026876177 /nfs/dbraw/zinc/87/61/77/1026876177.db2.gz JTKOKKVYZXIIKM-KBXCAEBGSA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099542 1026876184 /nfs/dbraw/zinc/87/61/84/1026876184.db2.gz JTKOKKVYZXIIKM-KBXCAEBGSA-N 0 1 384.314 3.562 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000840116681 1027224781 /nfs/dbraw/zinc/22/47/81/1027224781.db2.gz QCUIVIXDQXLQGD-UIFIKXQLSA-N 0 1 395.499 3.844 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000840116681 1027224806 /nfs/dbraw/zinc/22/48/06/1027224806.db2.gz QCUIVIXDQXLQGD-UIFIKXQLSA-N 0 1 395.499 3.844 20 10 GHCDMN CCN(C)c1ncnc2c1CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203574986 1027443069 /nfs/dbraw/zinc/44/30/69/1027443069.db2.gz ABWOPQWCGQXLIB-UHFFFAOYSA-N 0 1 381.307 3.546 20 10 GHCDMN CCOC[C@H]1CN(Cc2cccc(OCC)c2O)Cc2c1cnn2CC1CC1 ZINC001203608478 1027472793 /nfs/dbraw/zinc/47/27/93/1027472793.db2.gz QVXYJCOJOCXKCV-GOSISDBHSA-N 0 1 385.508 3.533 20 10 GHCDMN COc1cccnc1O[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC001203648900 1027504693 /nfs/dbraw/zinc/50/46/93/1027504693.db2.gz ZGPWKJVCTKMCDD-HNNXBMFYSA-N 0 1 393.281 3.602 20 10 GHCDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cc(Br)ccc2O)C1 ZINC001203650369 1027507295 /nfs/dbraw/zinc/50/72/95/1027507295.db2.gz QIOBTBQAIOICGX-SWLSCSKDSA-N 0 1 399.329 3.890 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]12 ZINC001203657385 1027512360 /nfs/dbraw/zinc/51/23/60/1027512360.db2.gz DDYWLYLDOSQIIM-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]12 ZINC001203657385 1027512368 /nfs/dbraw/zinc/51/23/68/1027512368.db2.gz DDYWLYLDOSQIIM-YADHBBJMSA-N 0 1 384.907 3.810 20 10 GHCDMN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203934095 1027726335 /nfs/dbraw/zinc/72/63/35/1027726335.db2.gz UTFBXZDJUNAZKW-UHFFFAOYSA-N 0 1 387.531 3.873 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cccc(C)n4)C3)C2)cc1 ZINC001204066796 1027847796 /nfs/dbraw/zinc/84/77/96/1027847796.db2.gz RDFRSNYMULPOIE-QHCPKHFHSA-N 0 1 381.520 3.518 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c(Cl)c1 ZINC000840898338 1027931600 /nfs/dbraw/zinc/93/16/00/1027931600.db2.gz DCMMRBPWGYTBAK-INIZCTEOSA-N 0 1 384.259 3.602 20 10 GHCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997754 1028029107 /nfs/dbraw/zinc/02/91/07/1028029107.db2.gz JSAKPMISJJVCMH-QKLQHJQFSA-N 0 1 387.480 3.803 20 10 GHCDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997756 1028029453 /nfs/dbraw/zinc/02/94/53/1028029453.db2.gz JSAKPMISJJVCMH-ZWOKBUDYSA-N 0 1 387.480 3.803 20 10 GHCDMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524886 1029029805 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CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231912847 1034987158 /nfs/dbraw/zinc/98/71/58/1034987158.db2.gz BGZHEJMSPDDWIG-OAHLLOKOSA-N 0 1 379.909 3.829 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001231911988 1034987185 /nfs/dbraw/zinc/98/71/85/1034987185.db2.gz VGYJJDNXLVQYNA-MISYRCLQSA-N 0 1 395.927 3.611 20 10 GHCDMN COc1cc(I)cc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC001248391235 1035801110 /nfs/dbraw/zinc/80/11/10/1035801110.db2.gz OTHJUELYSIXEQG-LLVKDONJSA-N 0 1 375.250 3.627 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C)CCC[C@H]2C)cc1I ZINC001248459563 1035883969 /nfs/dbraw/zinc/88/39/69/1035883969.db2.gz ZKHWXCFVUCSDCL-GHMZBOCLSA-N 0 1 375.250 3.768 20 10 GHCDMN COc1cc(O)c(CN2CCC(N3C(=O)Cc4ccccc43)CC2)cc1Cl ZINC001232264403 1037986815 /nfs/dbraw/zinc/98/68/15/1037986815.db2.gz IJOFEFBZYXVGSS-UHFFFAOYSA-N 0 1 386.879 3.608 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)cc1Cl ZINC001232266206 1037987799 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ZEVQONFLVAWIRS-AWEZNQCLSA-N 0 1 384.904 3.886 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232269023 1037992487 /nfs/dbraw/zinc/99/24/87/1037992487.db2.gz ZEVQONFLVAWIRS-AWEZNQCLSA-N 0 1 384.904 3.886 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)cc1Cl ZINC001232271174 1037995557 /nfs/dbraw/zinc/99/55/57/1037995557.db2.gz PBZNXLITKDMEBJ-OAHLLOKOSA-N 0 1 381.900 4.000 20 10 GHCDMN CC[NH+](CC)CCOC(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001462232408 1070104743 /nfs/dbraw/zinc/10/47/43/1070104743.db2.gz AGPDAINGPXIENQ-UHFFFAOYSA-N 0 1 378.419 3.781 20 10 GHCDMN COC(=O)c1c(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001232407087 1038189213 /nfs/dbraw/zinc/18/92/13/1038189213.db2.gz KMBWWGZIFGKCPD-HNNXBMFYSA-N 0 1 386.492 3.519 20 10 GHCDMN CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(Cl)c(OC)cc1O ZINC001277665160 1038221713 /nfs/dbraw/zinc/22/17/13/1038221713.db2.gz DLTBISBKQCRFMT-VBKZILBWSA-N 0 1 380.916 3.810 20 10 GHCDMN CCOC(=O)c1sc(-c2ccc([O-])c(C[NH+]3CC(C(F)F)C3)c2)nc1C ZINC001232453408 1038237291 /nfs/dbraw/zinc/23/72/91/1038237291.db2.gz BWCBQAJXBBWBEC-UHFFFAOYSA-N 0 1 382.432 3.698 20 10 GHCDMN Cc1cccc(N2CCC[C@@]3(CN(Cc4ccc(N(C)C)cc4O)CCO3)C2)c1 ZINC001232838881 1038591326 /nfs/dbraw/zinc/59/13/26/1038591326.db2.gz NKRHVVVQCSOFLN-XMMPIXPASA-N 0 1 395.547 3.638 20 10 GHCDMN C[N@H+](CCc1cccc(F)c1)Cc1ccc(I)cc1[O-] ZINC001232977805 1038747290 /nfs/dbraw/zinc/74/72/90/1038747290.db2.gz NBIYEPGTJZRFGV-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc(I)cc1[O-] ZINC001232977805 1038747295 /nfs/dbraw/zinc/74/72/95/1038747295.db2.gz NBIYEPGTJZRFGV-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001462306459 1070158200 /nfs/dbraw/zinc/15/82/00/1070158200.db2.gz TZZIDWRVLLPNRT-UHFFFAOYSA-N 0 1 399.878 3.704 20 10 GHCDMN COC(=O)[C@@H]1CCCCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194552 1038961218 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GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1[O-] ZINC001473639036 1074061920 /nfs/dbraw/zinc/06/19/20/1074061920.db2.gz SLEJBBQYXLQTDW-UHFFFAOYSA-N 0 1 384.904 3.983 20 10 GHCDMN Cc1ccc(-n2cnnn2)cc1NCc1cc(Cl)cc(Br)c1O ZINC001474062841 1074251663 /nfs/dbraw/zinc/25/16/63/1074251663.db2.gz HPYHXBRDUUMXKP-UHFFFAOYSA-N 0 1 394.660 3.704 20 10 GHCDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001474308195 1074334082 /nfs/dbraw/zinc/33/40/82/1074334082.db2.gz IDAZPTKQORDIHX-JTQLQIEISA-N 0 1 376.678 3.583 20 10 GHCDMN CN(C)c1cc(F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC001474404034 1074389152 /nfs/dbraw/zinc/38/91/52/1074389152.db2.gz WXDCFCIRWGIYPT-QGZVFWFLSA-N 0 1 376.447 3.918 20 10 GHCDMN O=C(c1cc(NCc2cc(Cl)cc(Br)c2O)c[nH]1)N1CCCC1 ZINC001474427026 1074401442 /nfs/dbraw/zinc/40/14/42/1074401442.db2.gz AERKNHBHLPZYMA-UHFFFAOYSA-N 0 1 398.688 3.984 20 10 GHCDMN CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC001474449314 1074412000 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GHCDMN CCCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000728699750 839454592 /nfs/dbraw/zinc/45/45/92/839454592.db2.gz VYFGCBDRRYSHBT-GDNBJRDFSA-N 0 1 386.835 3.599 20 10 GHCDMN CN1CCN(Cc2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2)CC1 ZINC000055368474 853802170 /nfs/dbraw/zinc/80/21/70/853802170.db2.gz CZYIXXGDHHGMTD-UHFFFAOYSA-N 0 1 392.547 3.677 20 10 GHCDMN Cc1nccc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1Cl ZINC000507868926 856603727 /nfs/dbraw/zinc/60/37/27/856603727.db2.gz PPFQOIWADFXMLN-UHFFFAOYSA-N 0 1 381.863 3.866 20 10 GHCDMN CCc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)s1 ZINC000761218927 859392330 /nfs/dbraw/zinc/39/23/30/859392330.db2.gz MEUZTRQYWZMSEP-UHFFFAOYSA-N 0 1 376.522 3.659 20 10 GHCDMN Cc1cc(C(=O)C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)n1-c1ccc(C)cc1 ZINC000923528534 859396552 /nfs/dbraw/zinc/39/65/52/859396552.db2.gz FAMCKWMXXYDXEJ-LEWJYISDSA-N 0 1 380.488 3.628 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000764937657 859691258 /nfs/dbraw/zinc/69/12/58/859691258.db2.gz DPRYTJNXHASWDJ-QFIPXVFZSA-N 0 1 383.492 3.773 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)C1 ZINC000764937657 859691259 /nfs/dbraw/zinc/69/12/59/859691259.db2.gz DPRYTJNXHASWDJ-QFIPXVFZSA-N 0 1 383.492 3.773 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cccc4[nH]c(=O)oc43)cc2F)C[C@H](C)O1 ZINC000921551518 860414232 /nfs/dbraw/zinc/41/42/32/860414232.db2.gz DNVOJBQZSZOOGF-OKILXGFUSA-N 0 1 385.439 3.576 20 10 GHCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000792702397 881627044 /nfs/dbraw/zinc/62/70/44/881627044.db2.gz SIPLWNKPLGMOOZ-UHFFFAOYSA-N 0 1 388.854 3.785 20 10 GHCDMN CCN(CC)C(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792796522 881675292 /nfs/dbraw/zinc/67/52/92/881675292.db2.gz PSPUMJLOQMWECG-UHFFFAOYSA-N 0 1 385.474 3.852 20 10 GHCDMN CCC[C@@](C)(CC)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000792861942 881734046 /nfs/dbraw/zinc/73/40/46/881734046.db2.gz DBROXZCLZOTXJF-JOCHJYFZSA-N 0 1 375.557 3.540 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCc4ccccc43)cc2F)CC1 ZINC000734392582 864210776 /nfs/dbraw/zinc/21/07/76/864210776.db2.gz ONNKSLKNVXGVHW-FQEVSTJZSA-N 0 1 395.522 3.704 20 10 GHCDMN COc1ccc2oc([C@@H](C)NCC(=O)NCc3ccc(N(C)C)cc3)c(C)c2c1 ZINC000184334677 864358227 /nfs/dbraw/zinc/35/82/27/864358227.db2.gz DNWFZXGNJJYSBK-MRXNPFEDSA-N 0 1 395.503 3.783 20 10 GHCDMN CN(C)Cc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000734674895 864397062 /nfs/dbraw/zinc/39/70/62/864397062.db2.gz CVBZWZDNFIRSTK-UHFFFAOYSA-N 0 1 398.526 3.828 20 10 GHCDMN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000793073128 881909362 /nfs/dbraw/zinc/90/93/62/881909362.db2.gz HQOIPGBGCOBNNW-OAHLLOKOSA-N 0 1 386.458 3.789 20 10 GHCDMN CC[N@H+](Cc1cccc(C(=O)NC)c1)Cc1cc(Br)ccc1[O-] ZINC000174425570 865790532 /nfs/dbraw/zinc/79/05/32/865790532.db2.gz BYWQMZIKTMLEOK-UHFFFAOYSA-N 0 1 377.282 3.536 20 10 GHCDMN CC[N@@H+](Cc1cccc(C(=O)NC)c1)Cc1cc(Br)ccc1[O-] ZINC000174425570 865790538 /nfs/dbraw/zinc/79/05/38/865790538.db2.gz BYWQMZIKTMLEOK-UHFFFAOYSA-N 0 1 377.282 3.536 20 10 GHCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1oc3ccccc3c1C)cc2=O ZINC000183541108 866844334 /nfs/dbraw/zinc/84/43/34/866844334.db2.gz WHFVZFXXKOAPOG-ZDUSSCGKSA-N 0 1 394.431 3.517 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742173657 867099707 /nfs/dbraw/zinc/09/97/07/867099707.db2.gz KDYAOKFICFAPCU-HNNXBMFYSA-N 0 1 395.425 3.563 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000742173657 867099723 /nfs/dbraw/zinc/09/97/23/867099723.db2.gz KDYAOKFICFAPCU-HNNXBMFYSA-N 0 1 395.425 3.563 20 10 GHCDMN COc1cc(N2CCN(Cc3cc(C)sc3C)CC2)cc(OC)c1OC ZINC000183697544 867289529 /nfs/dbraw/zinc/28/95/29/867289529.db2.gz SOWFYRBYKQTSSB-UHFFFAOYSA-N 0 1 376.522 3.713 20 10 GHCDMN Cc1cc(C(=O)N2CCCN(C)CC2)c(C)n1-c1cccc(Br)c1 ZINC000920406790 882083696 /nfs/dbraw/zinc/08/36/96/882083696.db2.gz UWZIORHFTLJSDC-UHFFFAOYSA-N 0 1 390.325 3.634 20 10 GHCDMN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000742830727 867609756 /nfs/dbraw/zinc/60/97/56/867609756.db2.gz LJUUWFHEQBPBMS-QHCPKHFHSA-N 0 1 377.532 3.958 20 10 GHCDMN C[C@H]1C[C@H](c2ccccc2F)N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743856842 868456320 /nfs/dbraw/zinc/45/63/20/868456320.db2.gz PVZDRSIDRDXGKW-HTAPYJJXSA-N 0 1 383.511 3.933 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCC1(F)F ZINC000857472656 882285045 /nfs/dbraw/zinc/28/50/45/882285045.db2.gz NINBQTOBTWDAMH-HZPDHXFCSA-N 0 1 386.870 3.952 20 10 GHCDMN Cc1c(F)cccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000857472567 882285098 /nfs/dbraw/zinc/28/50/98/882285098.db2.gz LSUHUPUJHBWTNS-MRXNPFEDSA-N 0 1 376.859 3.888 20 10 GHCDMN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000745283727 869419301 /nfs/dbraw/zinc/41/93/01/869419301.db2.gz BGYVRXKENVTEGN-FQEVSTJZSA-N 0 1 397.519 3.890 20 10 GHCDMN Nc1nc(C2CCCC2)ncc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000857507117 882309509 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O=C(NCCc1cc(C(F)(F)F)ccc1F)c1cc(O)c(O)c(Cl)c1 ZINC001193633900 871200031 /nfs/dbraw/zinc/20/00/31/871200031.db2.gz KLMGZCMZWOBSOI-UHFFFAOYSA-N 0 1 377.721 3.882 20 10 GHCDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193633892 871200740 /nfs/dbraw/zinc/20/07/40/871200740.db2.gz KCRAKNQODQMMCR-SFHVURJKSA-N 0 1 388.895 3.782 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(-c2noc(-c3c(CO)cnc(C)c3O)n2)cc1 ZINC001212590011 871526492 /nfs/dbraw/zinc/52/64/92/871526492.db2.gz PEAUQFXXDCXYMV-UHFFFAOYSA-N 0 1 376.416 3.712 20 10 GHCDMN C[C@H](NCC(=O)NCCc1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000776963608 882536787 /nfs/dbraw/zinc/53/67/87/882536787.db2.gz BPMCXUDVEHGBAC-SFHVURJKSA-N 0 1 383.511 3.826 20 10 GHCDMN CC(C)[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H](C)O ZINC000775680208 872811300 /nfs/dbraw/zinc/81/13/00/872811300.db2.gz DEVCEAVSYGPJEU-VIFPVBQESA-N 0 1 381.108 3.508 20 10 GHCDMN O=C(c1cc2occc2s1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000775714890 873101450 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Cc1cc(CNC(=O)C(F)(F)F)cc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000825011120 899935727 /nfs/dbraw/zinc/93/57/27/899935727.db2.gz CQJAHJWDUNDAEZ-UHFFFAOYSA-N 0 1 383.389 3.991 20 10 GHCDMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825059385 899957614 /nfs/dbraw/zinc/95/76/14/899957614.db2.gz YBYVDXBPIDQFAO-UHFFFAOYSA-N 0 1 396.940 3.674 20 10 GHCDMN COc1cc2c(cc1C[NH2+]Cc1ccc(Br)cc1[O-])O[C@@H](C)C2 ZINC000825097282 899974583 /nfs/dbraw/zinc/97/45/83/899974583.db2.gz QLRDEHZTSJKCRV-NSHDSACASA-N 0 1 378.266 3.777 20 10 GHCDMN CC(C)(C)OC(=O)NCC[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000825269682 900063691 /nfs/dbraw/zinc/06/36/91/900063691.db2.gz UZGRFEJEJPIFSO-LBPRGKRZSA-N 0 1 382.810 3.981 20 10 GHCDMN CN(C)C(=O)N[C@H]1CCCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000825278625 900066097 /nfs/dbraw/zinc/06/60/97/900066097.db2.gz GOEVRUZPDGTIAE-SFHVURJKSA-N 0 1 386.565 3.620 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000825331701 900098820 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0 1 391.855 3.950 20 10 GHCDMN Cc1nc([C@H]2COCCN2Cc2cc(Br)c(F)cc2O)cs1 ZINC001144293245 901622777 /nfs/dbraw/zinc/62/27/77/901622777.db2.gz MORMDMQCBHTLGQ-CQSZACIVSA-N 0 1 387.274 3.632 20 10 GHCDMN COc1ccc(CC[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])cc1OC ZINC001144299285 901649465 /nfs/dbraw/zinc/64/94/65/901649465.db2.gz USUYEOANZHDTAF-UHFFFAOYSA-N 0 1 398.272 3.986 20 10 GHCDMN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639301 914612469 /nfs/dbraw/zinc/61/24/69/914612469.db2.gz AUUXONOKCSQQQF-RDTXWAMCSA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639301 914612479 /nfs/dbraw/zinc/61/24/79/914612479.db2.gz AUUXONOKCSQQQF-RDTXWAMCSA-N 0 1 384.314 3.562 20 10 GHCDMN COc1cc(OC)c(CNCc2ccc(N3CCSCC3)cc2)cc1F ZINC000845925045 902535040 /nfs/dbraw/zinc/53/50/40/902535040.db2.gz QUDXICYSPWLCST-UHFFFAOYSA-N 0 1 376.497 3.686 20 10 GHCDMN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000773042514 904393608 /nfs/dbraw/zinc/39/36/08/904393608.db2.gz BNODFNWPWKOUFI-QWXGXRTQSA-N 0 1 392.952 3.765 20 10 GHCDMN COc1ccc(C[N@H+]2CCCC[C@H](C)C2)c([O-])c1I ZINC001248482282 904693927 /nfs/dbraw/zinc/69/39/27/904693927.db2.gz YAXZBUGSQAGYBD-NSHDSACASA-N 0 1 375.250 3.627 20 10 GHCDMN CCCCN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000801596714 921174538 /nfs/dbraw/zinc/17/45/38/921174538.db2.gz LMYXZDJEYVENSU-UHFFFAOYSA-N 0 1 376.526 3.782 20 10 GHCDMN CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1cc(Br)ccc1[O-])CC2 ZINC001173606384 906558452 /nfs/dbraw/zinc/55/84/52/906558452.db2.gz PCUAEPREGJHIPG-CSLYMUCUSA-N 0 1 382.298 3.756 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)cc1[O-] ZINC000185263638 907742358 /nfs/dbraw/zinc/74/23/58/907742358.db2.gz OJVFAVWDPROEDR-GFCCVEGCSA-N 0 1 398.322 3.550 20 10 GHCDMN C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(Br)cc1[O-] ZINC000185547561 907789594 /nfs/dbraw/zinc/78/95/94/907789594.db2.gz KMOFOIJGGIYLJG-CYBMUJFWSA-N 0 1 391.309 3.750 20 10 GHCDMN C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000186151483 907884379 /nfs/dbraw/zinc/88/43/79/907884379.db2.gz FLTTXGNWEPUWLU-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN CCN(C)c1ccc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000773835209 909768801 /nfs/dbraw/zinc/76/88/01/909768801.db2.gz WMDUMMXEWLCWLP-OAQYLSRUSA-N 0 1 387.549 3.549 20 10 GHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001182366962 911563484 /nfs/dbraw/zinc/56/34/84/911563484.db2.gz KBTBFTOKPDXIAF-GJZGRUSLSA-N 0 1 386.467 3.645 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCOC(C)(C)C2)C1 ZINC000774260497 911580659 /nfs/dbraw/zinc/58/06/59/911580659.db2.gz UMBDXIBADRGDCI-QGZVFWFLSA-N 0 1 384.520 3.909 20 10 GHCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)C1CCCCC1 ZINC000092644604 911673915 /nfs/dbraw/zinc/67/39/15/911673915.db2.gz RACFXZYUBCWSHZ-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(Br)cc3[O-])C2)n(C)n1 ZINC000774452917 911758285 /nfs/dbraw/zinc/75/82/85/911758285.db2.gz PMQLOTIDFGBCOY-HIFRSBDPSA-N 0 1 393.329 3.516 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC001182684516 911966258 /nfs/dbraw/zinc/96/62/58/911966258.db2.gz MKVOBSGXXBNCBN-DLBZAZTESA-N 0 1 396.915 3.598 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC001187706618 915465370 /nfs/dbraw/zinc/46/53/70/915465370.db2.gz GOWUDAAVHUXHQM-UHFFFAOYSA-N 0 1 376.863 3.553 20 10 GHCDMN COC1CCN(c2ccc(CN(C)Cc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000294949662 917064881 /nfs/dbraw/zinc/06/48/81/917064881.db2.gz KGFQXFRTYXEZGA-MHZLTWQESA-N 0 1 386.561 3.671 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NCc2cn3cc(Br)ccc3n2)c1 ZINC000775375194 917265434 /nfs/dbraw/zinc/26/54/34/917265434.db2.gz JWHWIUKJYHYQHO-LLVKDONJSA-N 0 1 376.254 3.662 20 10 GHCDMN COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1cccc(F)c1 ZINC000796498146 917838384 /nfs/dbraw/zinc/83/83/84/917838384.db2.gz BFXTVPLRCHLGKA-HXUWFJFHSA-N 0 1 393.842 3.955 20 10 GHCDMN Cc1ccc2c(c1NS(=O)(=O)CC1CCCC1)C(=O)c1ccccc1C2=O ZINC001191527278 918045080 /nfs/dbraw/zinc/04/50/80/918045080.db2.gz XZMRQZCEWZGCTN-UHFFFAOYSA-N 0 1 383.469 3.702 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275837095 918321498 /nfs/dbraw/zinc/32/14/98/918321498.db2.gz BNXBNHLGLPVWFR-CYBMUJFWSA-N 0 1 390.833 3.716 20 10 GHCDMN Cc1nn(-c2ccccn2)c(C)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000802637322 922276031 /nfs/dbraw/zinc/27/60/31/922276031.db2.gz QJBMRDXDOFBKPU-HXUWFJFHSA-N 0 1 392.503 3.771 20 10 GHCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)c(OC)cc1Cl ZINC000802642830 922287674 /nfs/dbraw/zinc/28/76/74/922287674.db2.gz GFLTXIHDSFKDAS-UHFFFAOYSA-N 0 1 375.900 3.721 20 10 GHCDMN CCN(CC)[C@H](CNC(=O)NCc1ccccc1O)c1ccccc1Cl ZINC000748462202 923671238 /nfs/dbraw/zinc/67/12/38/923671238.db2.gz BFSFDKADUPGJAV-GOSISDBHSA-N 0 1 375.900 3.928 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000749097080 924021081 /nfs/dbraw/zinc/02/10/81/924021081.db2.gz LDNYSUKHIJQZBX-UHFFFAOYSA-N 0 1 394.441 3.733 20 10 GHCDMN O=C(C[C@H]1CCCC1(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440571 925796338 /nfs/dbraw/zinc/79/63/38/925796338.db2.gz YLACNOZTZPCEAJ-GDBMZVCRSA-N 0 1 386.870 3.952 20 10 GHCDMN Cc1ccc2n[nH]cc2c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440306 925796675 /nfs/dbraw/zinc/79/66/75/925796675.db2.gz SKAUUWBDOPYFTR-MRXNPFEDSA-N 0 1 398.894 3.625 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000373256656 925969351 /nfs/dbraw/zinc/96/93/51/925969351.db2.gz QUVDEVYVJJKMSE-RDJZCZTQSA-N 0 1 375.472 3.574 20 10 GHCDMN CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(OC)cc1 ZINC000725798493 926444221 /nfs/dbraw/zinc/44/42/21/926444221.db2.gz WBRNENRZHFKFRW-UHFFFAOYSA-N 0 1 399.560 3.709 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750056483 927409193 /nfs/dbraw/zinc/40/91/93/927409193.db2.gz IUPDFNKPUNWFSH-HNNXBMFYSA-N 0 1 382.888 3.689 20 10 GHCDMN 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Cc1cc(C(=O)CN2CCC[C@H]2C[C@@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000828474365 935640350 /nfs/dbraw/zinc/64/03/50/935640350.db2.gz IHXMVNNXRUPONR-PBHICJAKSA-N 0 1 375.900 3.561 20 10 GHCDMN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001137646773 935662872 /nfs/dbraw/zinc/66/28/72/935662872.db2.gz SILXHVLMUGEKCQ-UHFFFAOYSA-N 0 1 386.411 3.731 20 10 GHCDMN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC001137646773 935662875 /nfs/dbraw/zinc/66/28/75/935662875.db2.gz SILXHVLMUGEKCQ-UHFFFAOYSA-N 0 1 386.411 3.731 20 10 GHCDMN COC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1Cl ZINC000828669174 935687172 /nfs/dbraw/zinc/68/71/72/935687172.db2.gz GEEIWDRKSUWSDP-OAHLLOKOSA-N 0 1 388.895 3.814 20 10 GHCDMN CO[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000828775258 935706247 /nfs/dbraw/zinc/70/62/47/935706247.db2.gz VCXXHDJTJNLSIV-QGZVFWFLSA-N 0 1 375.900 3.826 20 10 GHCDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001594167079 998640653 /nfs/dbraw/zinc/64/06/53/998640653.db2.gz JGNYALPTAUNQKK-HIFRSBDPSA-N 0 1 381.314 3.734 20 10 GHCDMN O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231852 1032516722 /nfs/dbraw/zinc/51/67/22/1032516722.db2.gz GKUKNKTXMJPSTE-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Br)n1 ZINC000926723286 1017303308 /nfs/dbraw/zinc/30/33/08/1017303308.db2.gz CRTUARFLWRVKQH-CQSZACIVSA-N 0 1 390.325 3.656 20 10 GHCDMN CCN(Cc1c(O)cccc1Br)C[C@@H]1COc2ccccc2O1 ZINC001204278629 1032718943 /nfs/dbraw/zinc/71/89/43/1032718943.db2.gz FYNGMBGUQOAPHR-CYBMUJFWSA-N 0 1 378.266 3.817 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)c3cccnc3F)c1C2=O ZINC001227993407 1032728709 /nfs/dbraw/zinc/72/87/09/1032728709.db2.gz BYTOTIIJTSCPSU-LLVKDONJSA-N 0 1 393.370 3.856 20 10 GHCDMN Cc1ocnc1-c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000564278343 1019049129 /nfs/dbraw/zinc/04/91/29/1019049129.db2.gz NTHLXHGSYKCDKP-UHFFFAOYSA-N 0 1 377.448 3.803 20 10 GHCDMN COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccc(OC)c(Cl)c1 ZINC000779182813 1020466633 /nfs/dbraw/zinc/46/66/33/1020466633.db2.gz WCTHFVXQVBVULW-HNNXBMFYSA-N 0 1 388.222 3.851 20 10 GHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000779224367 1020536071 /nfs/dbraw/zinc/53/60/71/1020536071.db2.gz BCIIDKKAYMUAQO-HXUWFJFHSA-N 0 1 395.330 3.768 20 10 GHCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779224367 1020536108 /nfs/dbraw/zinc/53/61/08/1020536108.db2.gz BCIIDKKAYMUAQO-HXUWFJFHSA-N 0 1 395.330 3.768 20 10 GHCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779224367 1020536114 /nfs/dbraw/zinc/53/61/14/1020536114.db2.gz BCIIDKKAYMUAQO-HXUWFJFHSA-N 0 1 395.330 3.768 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncnc4cc(C)sc43)CC2)cc1 ZINC001156261434 1032947903 /nfs/dbraw/zinc/94/79/03/1032947903.db2.gz VUYMXULGFXTQFI-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN CCCC(=O)[C@H](CCC)Oc1cc(O)cc(O)c1C(=O)c1ccc(O)c(O)c1 ZINC001228520186 1032968618 /nfs/dbraw/zinc/96/86/18/1032968618.db2.gz XBPDIXPLQZIRKC-SFHVURJKSA-N 0 1 388.416 3.657 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000834898098 1021643964 /nfs/dbraw/zinc/64/39/64/1021643964.db2.gz ZDJGNLRDXIQPAX-KGLIPLIRSA-N 0 1 391.309 3.553 20 10 GHCDMN C[C@H](NCc1c(F)cccc1-n1cccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834903727 1021651993 /nfs/dbraw/zinc/65/19/93/1021651993.db2.gz LXKFISTXKLJGPB-INIZCTEOSA-N 0 1 398.457 3.838 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(=O)NCCc1ccccc1 ZINC000834913750 1021675961 /nfs/dbraw/zinc/67/59/61/1021675961.db2.gz JFCWHKCSSWHWJE-UONOGXRCSA-N 0 1 391.309 3.553 20 10 GHCDMN CSCC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000835037346 1021794807 /nfs/dbraw/zinc/79/48/07/1021794807.db2.gz VDDCNEDVFQVHKT-OVKVCFKUSA-N 0 1 381.549 3.893 20 10 GHCDMN CN(C)c1ccc(/C=C/CNCc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000835041915 1021799529 /nfs/dbraw/zinc/79/95/29/1021799529.db2.gz BPBMTRGEGGEEJW-ONEGZZNKSA-N 0 1 375.398 3.617 20 10 GHCDMN CC(C)c1noc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140663365 1022202773 /nfs/dbraw/zinc/20/27/73/1022202773.db2.gz BVJAILLXIOKVCW-KRWDZBQOSA-N 0 1 388.487 3.548 20 10 GHCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@@H](OCc2ccccc2)C1 ZINC001140663887 1022206479 /nfs/dbraw/zinc/20/64/79/1022206479.db2.gz ROBSENCPCZPBEW-JOCHJYFZSA-N 0 1 384.495 3.844 20 10 GHCDMN CC(C)[C@H]1C[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000836603848 1023162528 /nfs/dbraw/zinc/16/25/28/1023162528.db2.gz MYTWBYXNBOPXOG-IAQYHMDHSA-N 0 1 375.296 3.949 20 10 GHCDMN COCCCn1cc(C)c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000836714728 1023293463 /nfs/dbraw/zinc/29/34/63/1023293463.db2.gz BWZKYKRNWPSXDW-UHFFFAOYSA-N 0 1 387.267 3.562 20 10 GHCDMN COc1cc2c(cc1OC)CN(Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141076066 1023439320 /nfs/dbraw/zinc/43/93/20/1023439320.db2.gz LNNRIUNXIGKXED-UHFFFAOYSA-N 0 1 378.516 3.961 20 10 GHCDMN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756366084 1023609595 /nfs/dbraw/zinc/60/95/95/1023609595.db2.gz DUCNBBRIHINJJA-MCIONIFRSA-N 0 1 385.346 3.693 20 10 GHCDMN C[C@H]([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756400436 1023629806 /nfs/dbraw/zinc/62/98/06/1023629806.db2.gz KIGXWYDDNNAAGC-KKSFZXQISA-N 0 1 389.490 3.700 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000756439922 1023650592 /nfs/dbraw/zinc/65/05/92/1023650592.db2.gz ASCBUKJFOKWQHA-HOCLYGCPSA-N 0 1 387.911 3.598 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(Br)cc1[O-] ZINC000756447757 1023655682 /nfs/dbraw/zinc/65/56/82/1023655682.db2.gz YIIVUOGIOLMTIE-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1[O-] ZINC000756659277 1023759201 /nfs/dbraw/zinc/75/92/01/1023759201.db2.gz CGQMILSPWYNZTG-MLGOLLRUSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(Br)cc1[O-] ZINC000756707548 1023783196 /nfs/dbraw/zinc/78/31/96/1023783196.db2.gz IXJKBNZQNCIBQF-CYBMUJFWSA-N 0 1 395.341 3.987 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]2CF)CC1 ZINC001138123727 1024167190 /nfs/dbraw/zinc/16/71/90/1024167190.db2.gz JCMVGQNAUQPTAO-CABCVRRESA-N 0 1 382.451 3.606 20 10 GHCDMN Cc1c(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c2ccccc2n1C ZINC001138253975 1024475671 /nfs/dbraw/zinc/47/56/71/1024475671.db2.gz MOXMUTGZXAQGIG-DEOSSOPVSA-N 0 1 390.531 3.753 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001141375093 1024769293 /nfs/dbraw/zinc/76/92/93/1024769293.db2.gz WPOOAHADBRUSNZ-CYBMUJFWSA-N 0 1 382.632 3.808 20 10 GHCDMN CCc1nc([C@@H](C)NCc2ccc(N3CCCCC3)c(Br)c2)n[nH]1 ZINC000838984141 1025501589 /nfs/dbraw/zinc/50/15/89/1025501589.db2.gz DSMGIOLHIJJSDZ-CYBMUJFWSA-N 0 1 392.345 3.971 20 10 GHCDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839012778 1025517247 /nfs/dbraw/zinc/51/72/47/1025517247.db2.gz ZGGPRFIEDKBYSG-PEBXRYMYSA-N 0 1 387.387 3.638 20 10 GHCDMN COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139133599 1025946603 /nfs/dbraw/zinc/94/66/03/1025946603.db2.gz IVIRDBQCTMEDMQ-INIZCTEOSA-N 0 1 395.455 3.761 20 10 GHCDMN Cc1c(NCc2ccc(N3CCN(C)CC3)cc2)cnn1-c1cccc(C)c1 ZINC001202922340 1026180658 /nfs/dbraw/zinc/18/06/58/1026180658.db2.gz NFSFSWPSXOIDAZ-UHFFFAOYSA-N 0 1 375.520 3.853 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139684988 1026538831 /nfs/dbraw/zinc/53/88/31/1026538831.db2.gz SDEVMQFZTDUMQU-IBGZPJMESA-N 0 1 378.444 3.751 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1C(F)(F)F ZINC001140060041 1026839730 /nfs/dbraw/zinc/83/97/30/1026839730.db2.gz HZKQYFVUFDMYRN-KBPBESRZSA-N 0 1 392.393 3.809 20 10 GHCDMN C[C@H]1CN(Cc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)C1 ZINC001140098534 1026874203 /nfs/dbraw/zinc/87/42/03/1026874203.db2.gz DEXDCUHNGHLRDO-ZDUSSCGKSA-N 0 1 399.329 3.844 20 10 GHCDMN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2Br)C[C@@H](C)O)cc1 ZINC001140098889 1026876433 /nfs/dbraw/zinc/87/64/33/1026876433.db2.gz QQHAIMBPBRRMEX-CQSZACIVSA-N 0 1 394.309 3.589 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2c([O-])cccc2Br)C[C@@H](C)O)cc1 ZINC001140098889 1026876445 /nfs/dbraw/zinc/87/64/45/1026876445.db2.gz QQHAIMBPBRRMEX-CQSZACIVSA-N 0 1 394.309 3.589 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001203575212 1027442992 /nfs/dbraw/zinc/44/29/92/1027442992.db2.gz GNTMHHRPZFCSMR-IYBDPMFKSA-N 0 1 378.303 3.658 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001203575212 1027443005 /nfs/dbraw/zinc/44/30/05/1027443005.db2.gz GNTMHHRPZFCSMR-IYBDPMFKSA-N 0 1 378.303 3.658 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001203575212 1027443016 /nfs/dbraw/zinc/44/30/16/1027443016.db2.gz GNTMHHRPZFCSMR-IYBDPMFKSA-N 0 1 378.303 3.658 20 10 GHCDMN CCOc1cccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c1O ZINC001203602162 1027466502 /nfs/dbraw/zinc/46/65/02/1027466502.db2.gz FHQKPEBHMOQQDC-UHFFFAOYSA-N 0 1 381.398 3.527 20 10 GHCDMN CCOc1cccc(C[N@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1O ZINC001203603043 1027466655 /nfs/dbraw/zinc/46/66/55/1027466655.db2.gz HFOZYXJVOKGXAE-OAQYLSRUSA-N 0 1 376.497 3.766 20 10 GHCDMN COc1ccc(CN2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001203635373 1027494314 /nfs/dbraw/zinc/49/43/14/1027494314.db2.gz RLOKCYMYFPAGTB-IBGZPJMESA-N 0 1 398.503 3.852 20 10 GHCDMN COc1cccc(O[C@@H]2CCCN(Cc3cc(Br)ccc3O)C2)n1 ZINC001203648004 1027504830 /nfs/dbraw/zinc/50/48/30/1027504830.db2.gz BHBFNZRJSSFOBG-OAHLLOKOSA-N 0 1 393.281 3.602 20 10 GHCDMN COc1cccnc1O[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC001203648901 1027505611 /nfs/dbraw/zinc/50/56/11/1027505611.db2.gz ZGPWKJVCTKMCDD-OAHLLOKOSA-N 0 1 393.281 3.602 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203656354 1027512616 /nfs/dbraw/zinc/51/26/16/1027512616.db2.gz OAVGHIAZADQPLA-NRFANRHFSA-N 0 1 388.870 3.809 20 10 GHCDMN O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203656354 1027512618 /nfs/dbraw/zinc/51/26/18/1027512618.db2.gz OAVGHIAZADQPLA-NRFANRHFSA-N 0 1 388.870 3.809 20 10 GHCDMN CCN(CC)c1ccc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cc1 ZINC001203939715 1027732958 /nfs/dbraw/zinc/73/29/58/1027732958.db2.gz RJMMJUVQFBDMRY-OAQYLSRUSA-N 0 1 382.552 3.788 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000840761265 1027802504 /nfs/dbraw/zinc/80/25/04/1027802504.db2.gz UYVRDZGHOAGMOA-INIZCTEOSA-N 0 1 398.457 3.838 20 10 GHCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000842642676 1029449137 /nfs/dbraw/zinc/44/91/37/1029449137.db2.gz KBICHMHBWGHZSO-LJQANCHMSA-N 0 1 392.377 3.792 20 10 GHCDMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000842642676 1029449149 /nfs/dbraw/zinc/44/91/49/1029449149.db2.gz KBICHMHBWGHZSO-LJQANCHMSA-N 0 1 392.377 3.792 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NCc1cccs1 ZINC000842910725 1029676779 /nfs/dbraw/zinc/67/67/79/1029676779.db2.gz VYIQTOVJKGLKOQ-XHDPSFHLSA-N 0 1 397.338 3.962 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001217553966 1030487661 /nfs/dbraw/zinc/48/76/61/1030487661.db2.gz SACSOFXHAYRPOZ-UHFFFAOYSA-N 0 1 390.273 3.940 20 10 GHCDMN CC1(C)CO[C@H](CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001150353680 1030501915 /nfs/dbraw/zinc/50/19/15/1030501915.db2.gz FXELWYKQXLDSHJ-QZTJIDSGSA-N 0 1 394.943 3.722 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224263290 1030946856 /nfs/dbraw/zinc/94/68/56/1030946856.db2.gz RAUFOHAYNXRPAX-WFASDCNBSA-N 0 1 377.257 3.935 20 10 GHCDMN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H](N)c3ccccc3)cc2)cc1 ZINC001219493851 1031459071 /nfs/dbraw/zinc/45/90/71/1031459071.db2.gz ZLGBKLWYEGVTBA-IBGZPJMESA-N 0 1 375.432 3.551 20 10 GHCDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001461852073 1069793570 /nfs/dbraw/zinc/79/35/70/1069793570.db2.gz NBNBZQOAKNMSEE-CQSZACIVSA-N 0 1 376.394 3.544 20 10 GHCDMN C[C@H](C[C@@H](C)[NH2+]Cc1c([O-])cccc1Br)NC(=O)OC(C)(C)C ZINC001206418298 1033835450 /nfs/dbraw/zinc/83/54/50/1033835450.db2.gz CIBSYTGTFOPEJD-VXGBXAGGSA-N 0 1 387.318 3.936 20 10 GHCDMN C[C@H](CN(C)C)Oc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)C3 ZINC001230173905 1033931087 /nfs/dbraw/zinc/93/10/87/1033931087.db2.gz IPPIGVGSCJFEJP-UONOGXRCSA-N 0 1 391.467 3.556 20 10 GHCDMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-])Nc1ccccc1 ZINC001461885437 1069836233 /nfs/dbraw/zinc/83/62/33/1069836233.db2.gz DYYMLTLZGUDBGR-MRXNPFEDSA-N 0 1 375.419 3.847 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)c(F)cc2O)C1=O ZINC001276517533 1034211553 /nfs/dbraw/zinc/21/15/53/1034211553.db2.gz BZZCYFIJPOJIPR-XIKOKIGWSA-N 0 1 399.304 3.659 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CN1CC(F)(F)OC(F)(F)C1 ZINC001207611062 1034486567 /nfs/dbraw/zinc/48/65/67/1034486567.db2.gz FTXRLCZBZKXQOF-UHFFFAOYSA-N 0 1 378.547 3.826 20 10 GHCDMN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231454610 1034597834 /nfs/dbraw/zinc/59/78/34/1034597834.db2.gz SPFPARUEVFINEZ-UHFFFAOYSA-N 0 1 398.459 3.996 20 10 GHCDMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231561169 1034713137 /nfs/dbraw/zinc/71/31/37/1034713137.db2.gz SCCUAQIVHZUABX-SFHVURJKSA-N 0 1 382.460 3.700 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001231566923 1034716652 /nfs/dbraw/zinc/71/66/52/1034716652.db2.gz ULYWHNILSDRBPU-QGZVFWFLSA-N 0 1 392.496 3.700 20 10 GHCDMN CCC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231569377 1034718991 /nfs/dbraw/zinc/71/89/91/1034718991.db2.gz XGVDMZKMRBIRHU-OAHLLOKOSA-N 0 1 392.496 3.559 20 10 GHCDMN CCOC[C@@H]1CN(Cc2c(O)ccc3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001231587004 1034739650 /nfs/dbraw/zinc/73/96/50/1034739650.db2.gz PEMPUSWHISUUKF-SFHVURJKSA-N 0 1 392.503 3.683 20 10 GHCDMN COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001231849508 1034940799 /nfs/dbraw/zinc/94/07/99/1034940799.db2.gz 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CCOC(=O)c1c(CN2CC[C@@H](Oc3ncccc3C)C2)c2ccccc2n1C ZINC001233273560 1039041271 /nfs/dbraw/zinc/04/12/71/1039041271.db2.gz IHYGGQYZYBHBDZ-QGZVFWFLSA-N 0 1 393.487 3.712 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233290223 1039073500 /nfs/dbraw/zinc/07/35/00/1039073500.db2.gz POVLFKYYHIUQOW-CYBMUJFWSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC001233290223 1039073516 /nfs/dbraw/zinc/07/35/16/1039073516.db2.gz POVLFKYYHIUQOW-CYBMUJFWSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC001233290617 1039073895 /nfs/dbraw/zinc/07/38/95/1039073895.db2.gz NKRMXKYBLPCKAZ-ZDUSSCGKSA-N 0 1 384.904 3.886 20 10 GHCDMN COC(=O)c1cc(Br)c([O-])c(C[N@@H+](C)CCc2ccc(F)cc2)c1 ZINC001233308102 1039099217 /nfs/dbraw/zinc/09/92/17/1039099217.db2.gz CFTNBHHMZVIYQZ-UHFFFAOYSA-N 0 1 396.256 3.755 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416221 1039271984 /nfs/dbraw/zinc/27/19/84/1039271984.db2.gz AIMGSDBHRZHIQB-YDHLFZDLSA-N 0 1 386.414 3.899 20 10 GHCDMN [O-]c1c(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cccc1C(F)(F)F ZINC001233417402 1039277569 /nfs/dbraw/zinc/27/75/69/1039277569.db2.gz SWXSEYKGUBMPIQ-UHFFFAOYSA-N 0 1 377.410 3.514 20 10 GHCDMN [O-]c1c(CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cccc1C(F)(F)F ZINC001233417402 1039277574 /nfs/dbraw/zinc/27/75/74/1039277574.db2.gz SWXSEYKGUBMPIQ-UHFFFAOYSA-N 0 1 377.410 3.514 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419390 1039279544 /nfs/dbraw/zinc/27/95/44/1039279544.db2.gz WKQFPZIWEUCJIJ-UHFFFAOYSA-N 0 1 392.421 3.688 20 10 GHCDMN CCOC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)Cc2cnn(CC)c21 ZINC001233452989 1039337059 /nfs/dbraw/zinc/33/70/59/1039337059.db2.gz QCXOSOZJPOHFTE-OAHLLOKOSA-N 0 1 383.414 3.763 20 10 GHCDMN O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233453157 1039340230 /nfs/dbraw/zinc/34/02/30/1039340230.db2.gz 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001254103615 1039991655 /nfs/dbraw/zinc/99/16/55/1039991655.db2.gz WFIMWUJTUQNYQR-QAPCUYQASA-N 0 1 387.911 3.613 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001254103615 1039991663 /nfs/dbraw/zinc/99/16/63/1039991663.db2.gz WFIMWUJTUQNYQR-QAPCUYQASA-N 0 1 387.911 3.613 20 10 GHCDMN COc1ccc2ccc(O)c(CN3CCN(C(=O)Nc4ccccc4)CC3)c2c1 ZINC001234552774 1040122163 /nfs/dbraw/zinc/12/21/63/1040122163.db2.gz HMKNNDMEOUVMDQ-UHFFFAOYSA-N 0 1 391.471 3.904 20 10 GHCDMN Cc1cccc(N2CCN(Cc3cc(Br)cc(F)c3O)CC2)c1 ZINC001235056787 1040546662 /nfs/dbraw/zinc/54/66/62/1040546662.db2.gz FTOLPYMFBFYCKI-UHFFFAOYSA-N 0 1 379.273 3.924 20 10 GHCDMN Cc1cccc(N2CC[NH+](Cc3cc(Br)cc(F)c3[O-])CC2)c1 ZINC001235056787 1040546675 /nfs/dbraw/zinc/54/66/75/1040546675.db2.gz FTOLPYMFBFYCKI-UHFFFAOYSA-N 0 1 379.273 3.924 20 10 GHCDMN COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(Br)cc(F)c1O ZINC001235064342 1040553265 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GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@H]2CCO[C@H](C)C2)C1 ZINC000436055404 851173413 /nfs/dbraw/zinc/17/34/13/851173413.db2.gz WJNUHUSHBNBTJH-MOPGFXCFSA-N 0 1 397.563 3.729 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000150848765 852469470 /nfs/dbraw/zinc/46/94/70/852469470.db2.gz INTHNGHAFNPCGF-UHFFFAOYSA-N 0 1 390.487 3.507 20 10 GHCDMN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000281234875 862916099 /nfs/dbraw/zinc/91/60/99/862916099.db2.gz FBIOVVFPRAFCFI-UHFFFAOYSA-N 0 1 396.457 3.918 20 10 GHCDMN CCc1ccsc1C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730192606 860934866 /nfs/dbraw/zinc/93/48/66/860934866.db2.gz IHMKBXDAUXDNSL-UHFFFAOYSA-N 0 1 375.513 3.522 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3C)cc2F)CC1 ZINC000730194871 860936021 /nfs/dbraw/zinc/93/60/21/860936021.db2.gz RSYNPWPSNVFDRU-UHFFFAOYSA-N 0 1 397.538 3.870 20 10 GHCDMN CC(C)Cn1ccnc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444141267 863530745 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CCN(CC(=O)Nc1ccccc1C)Cc1cc(Br)ccc1O ZINC000174426396 865790669 /nfs/dbraw/zinc/79/06/69/865790669.db2.gz VTEWKAMVPQSXHU-UHFFFAOYSA-N 0 1 377.282 3.924 20 10 GHCDMN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185322666 865979872 /nfs/dbraw/zinc/97/98/72/865979872.db2.gz NFYKGEZOYBYRFK-GJZGRUSLSA-N 0 1 384.501 3.865 20 10 GHCDMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153087155 881945356 /nfs/dbraw/zinc/94/53/56/881945356.db2.gz BMPDRRRXYZXBRZ-INIZCTEOSA-N 0 1 387.911 3.636 20 10 GHCDMN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000840889026 866196108 /nfs/dbraw/zinc/19/61/08/866196108.db2.gz DPVMZYPBISRFGD-AWEZNQCLSA-N 0 1 379.444 3.667 20 10 GHCDMN C[C@H](c1ccccc1)N(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976508 866227456 /nfs/dbraw/zinc/22/74/56/866227456.db2.gz OYPSBARJRJIUON-NQIIRXRSSA-N 0 1 382.504 3.593 20 10 GHCDMN Cc1ccccc1C[C@@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841669 868439295 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COc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1C ZINC000857473201 882287295 /nfs/dbraw/zinc/28/72/95/882287295.db2.gz UDAVDEVEKNULMU-GOSISDBHSA-N 0 1 388.895 3.757 20 10 GHCDMN CC(C)c1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc1 ZINC000857472881 882287325 /nfs/dbraw/zinc/28/73/25/882287325.db2.gz PEMBZDOYCPJYST-SFHVURJKSA-N 0 1 387.911 3.958 20 10 GHCDMN Cc1n[nH]cc1C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793608610 882327523 /nfs/dbraw/zinc/32/75/23/882327523.db2.gz IWGBNMAXTJZIQT-UHFFFAOYSA-N 0 1 383.496 3.996 20 10 GHCDMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000746478317 870821570 /nfs/dbraw/zinc/82/15/70/870821570.db2.gz SZOSWUKQDQQPDR-UHFFFAOYSA-N 0 1 379.508 3.824 20 10 GHCDMN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232770 870962813 /nfs/dbraw/zinc/96/28/13/870962813.db2.gz OBOHQYRVPBBJBN-YOEHRIQHSA-N 0 1 388.895 3.734 20 10 GHCDMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232770 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C[C@H]1OCCN(Cc2cc(Br)cc(Br)c2O)[C@H]1C ZINC000775699259 872954238 /nfs/dbraw/zinc/95/42/38/872954238.db2.gz BYDLZYVOBUHFKC-DTWKUNHWSA-N 0 1 379.092 3.526 20 10 GHCDMN COc1ccc(N2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000768140326 873112743 /nfs/dbraw/zinc/11/27/43/873112743.db2.gz NELXRUJRLVXWOU-UHFFFAOYSA-N 0 1 389.499 3.991 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910826 873678472 /nfs/dbraw/zinc/67/84/72/873678472.db2.gz AEMGOLSVGSQULA-ZVVFDCPKSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910826 873678483 /nfs/dbraw/zinc/67/84/83/873678483.db2.gz AEMGOLSVGSQULA-ZVVFDCPKSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C/c1ccsc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910826 873678492 /nfs/dbraw/zinc/67/84/92/873678492.db2.gz AEMGOLSVGSQULA-ZVVFDCPKSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(CCc1ccc(F)cc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917272 873686422 /nfs/dbraw/zinc/68/64/22/873686422.db2.gz 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O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1)c1cccc2ncccc21 ZINC000771065682 875017522 /nfs/dbraw/zinc/01/75/22/875017522.db2.gz OMXHZGYWPFTIFP-KRWDZBQOSA-N 0 1 395.890 3.988 20 10 GHCDMN Cc1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771069619 875019684 /nfs/dbraw/zinc/01/96/84/875019684.db2.gz ZWHGKYJAUUSDLO-INIZCTEOSA-N 0 1 376.859 3.888 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001199678391 875121157 /nfs/dbraw/zinc/12/11/57/875121157.db2.gz NGKPQNHWEPRTRT-LBPRGKRZSA-N 0 1 375.774 3.594 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc4c(c3)CC(C)(C)O4)SC2=S)CC1 ZINC000105507035 875313600 /nfs/dbraw/zinc/31/36/00/875313600.db2.gz KVVFWACIENBLHV-BOPFTXTBSA-N 0 1 388.558 3.696 20 10 GHCDMN C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000776103226 875343001 /nfs/dbraw/zinc/34/30/01/875343001.db2.gz RSTCWNDRSQXJKE-XLIONFOSSA-N 0 1 384.524 3.933 20 10 GHCDMN [O-]c1c(Br)cccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000772597917 876047286 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C[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCC[C@H]1O ZINC001203563864 912404829 /nfs/dbraw/zinc/40/48/29/912404829.db2.gz AHRANBYZCWPQOR-TVQRCGJNSA-N 0 1 393.119 3.510 20 10 GHCDMN C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)C1=O ZINC000790610579 879884689 /nfs/dbraw/zinc/88/46/89/879884689.db2.gz SUYLAEJULNCKHQ-OAQYLSRUSA-N 0 1 399.878 3.560 20 10 GHCDMN O=C(c1cccc(Cl)c1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162196 880939819 /nfs/dbraw/zinc/93/98/19/880939819.db2.gz HVPGAIDWDJIEGA-UHFFFAOYSA-N 0 1 383.250 3.796 20 10 GHCDMN O=C(Cc1cccc(F)c1)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792163746 880955440 /nfs/dbraw/zinc/95/54/40/880955440.db2.gz CHZJHNPMSINYEL-UHFFFAOYSA-N 0 1 394.849 3.601 20 10 GHCDMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000792278544 881008971 /nfs/dbraw/zinc/00/89/71/881008971.db2.gz BWHRILSNACAOTC-UHFFFAOYSA-N 0 1 391.475 3.758 20 10 GHCDMN CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1O ZINC000772798443 881150940 /nfs/dbraw/zinc/15/09/40/881150940.db2.gz RKKVRTJNMQSLRS-UHFFFAOYSA-N 0 1 377.828 3.805 20 10 GHCDMN C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Br)cc1[O-] ZINC000185026145 883398701 /nfs/dbraw/zinc/39/87/01/883398701.db2.gz PASKZNZUUARHEF-ZDUSSCGKSA-N 0 1 376.298 3.869 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000804946678 883479197 /nfs/dbraw/zinc/47/91/97/883479197.db2.gz LIFAUNSGSABFPO-UHFFFAOYSA-N 0 1 397.306 3.940 20 10 GHCDMN C[C@](O)(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000805316466 883750196 /nfs/dbraw/zinc/75/01/96/883750196.db2.gz MXMABTXOSQADPX-SFHVURJKSA-N 0 1 383.275 3.796 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001275235603 912764144 /nfs/dbraw/zinc/76/41/44/912764144.db2.gz CLHNGJNKGQEXMU-OAHLLOKOSA-N 0 1 397.224 3.686 20 10 GHCDMN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236069 912779793 /nfs/dbraw/zinc/77/97/93/912779793.db2.gz IPLMKJDBONSKPO-QGZVFWFLSA-N 0 1 393.261 3.921 20 10 GHCDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCN3Cc1ccccc1)C2 ZINC000859816357 884086008 /nfs/dbraw/zinc/08/60/08/884086008.db2.gz ZWQLCWJMXVISFL-URXFXBBRSA-N 0 1 376.500 3.936 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(-n2cccn2)nc1 ZINC000806206469 884448923 /nfs/dbraw/zinc/44/89/23/884448923.db2.gz PVBFHJRNTBJBQM-UHFFFAOYSA-N 0 1 378.219 3.601 20 10 GHCDMN CC(C)(C)OC(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000154851677 884593450 /nfs/dbraw/zinc/59/34/50/884593450.db2.gz TYISYDHRJMVHJT-UHFFFAOYSA-N 0 1 385.302 3.644 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806429275 884666598 /nfs/dbraw/zinc/66/65/98/884666598.db2.gz SAZSHVFPLSRFMQ-UHFFFAOYSA-N 0 1 386.191 3.938 20 10 GHCDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000761994800 885156340 /nfs/dbraw/zinc/15/63/40/885156340.db2.gz HPGVRMVNRCLWCB-UHFFFAOYSA-N 0 1 391.367 3.879 20 10 GHCDMN CCC(=O)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807513076 885497935 /nfs/dbraw/zinc/49/79/35/885497935.db2.gz SFWIPMYWCMZCPU-UHFFFAOYSA-N 0 1 395.242 3.547 20 10 GHCDMN CCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000807512902 885497959 /nfs/dbraw/zinc/49/79/59/885497959.db2.gz AVSPMDKKEZQWOD-UHFFFAOYSA-N 0 1 385.222 3.655 20 10 GHCDMN CN(C)C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000861641605 885722135 /nfs/dbraw/zinc/72/21/35/885722135.db2.gz UEBRUJLGRPJULJ-SFHVURJKSA-N 0 1 395.334 3.720 20 10 GHCDMN CC1(C)C(=O)Nc2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000807837767 885800912 /nfs/dbraw/zinc/80/09/12/885800912.db2.gz CKCMJYFRRJKGGG-UHFFFAOYSA-N 0 1 379.243 3.859 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(OC(F)F)c(F)c1 ZINC000808113897 886021788 /nfs/dbraw/zinc/02/17/88/886021788.db2.gz KZKTXVMRMDLOPX-UHFFFAOYSA-N 0 1 385.722 3.726 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808425931 886312265 /nfs/dbraw/zinc/31/22/65/886312265.db2.gz MBZAVPLKYHCMLE-HNNXBMFYSA-N 0 1 390.199 3.997 20 10 GHCDMN Cc1cc(C2(NCc3ccc(N(C)C)cc3C(F)(F)F)CCOCC2)on1 ZINC000862542022 886453622 /nfs/dbraw/zinc/45/36/22/886453622.db2.gz CBQXWUGANHKZNK-UHFFFAOYSA-N 0 1 383.414 3.863 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000863942306 887475068 /nfs/dbraw/zinc/47/50/68/887475068.db2.gz UYTNOOZZDIKMRV-UHFFFAOYSA-N 0 1 396.516 3.741 20 10 GHCDMN CCCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000809541879 887532593 /nfs/dbraw/zinc/53/25/93/887532593.db2.gz POFWZVAMQYBHFF-QFIPXVFZSA-N 0 1 398.572 3.648 20 10 GHCDMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000763012694 887541277 /nfs/dbraw/zinc/54/12/77/887541277.db2.gz FBROQALJPHRZPB-MRXNPFEDSA-N 0 1 384.528 3.725 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c(C(F)(F)F)c1 ZINC000809664187 887688267 /nfs/dbraw/zinc/68/82/67/887688267.db2.gz BUGXMJMJNIIVNZ-CQSZACIVSA-N 0 1 379.430 3.523 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000809713379 887732332 /nfs/dbraw/zinc/73/23/32/887732332.db2.gz NRCMAHBBJWFHQL-UHFFFAOYSA-N 0 1 376.279 3.963 20 10 GHCDMN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000809749905 887786924 /nfs/dbraw/zinc/78/69/24/887786924.db2.gz MKZLQICVOMSQPE-AWEZNQCLSA-N 0 1 381.270 3.551 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227521 888304288 /nfs/dbraw/zinc/30/42/88/888304288.db2.gz WXQQHFFSFPUWGM-INIZCTEOSA-N 0 1 399.434 3.982 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211165 888321675 /nfs/dbraw/zinc/32/16/75/888321675.db2.gz NYJRXDSLKYQNDE-ZBFHGGJFSA-N 0 1 380.414 3.911 20 10 GHCDMN CC(=O)Nc1cccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000865419395 888338236 /nfs/dbraw/zinc/33/82/36/888338236.db2.gz XSWLLMOOQROBEC-HZPDHXFCSA-N 0 1 385.483 3.688 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc([C@@H](O)C(F)(F)F)cc3)cc2)CC1 ZINC000865664129 888505757 /nfs/dbraw/zinc/50/57/57/888505757.db2.gz CWYSCTMDAGLLGU-LJQANCHMSA-N 0 1 379.426 3.646 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866435789 888876009 /nfs/dbraw/zinc/87/60/09/888876009.db2.gz GBYOKKSVLFKQIT-WCQYABFASA-N 0 1 382.308 3.847 20 10 GHCDMN C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(N2CCOCC2)cc1Cl ZINC000812736908 890917791 /nfs/dbraw/zinc/91/77/91/890917791.db2.gz FNCHQQANTWMKEV-HNNXBMFYSA-N 0 1 384.911 3.914 20 10 GHCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000917088442 891069579 /nfs/dbraw/zinc/06/95/79/891069579.db2.gz WJIZWWFBMWAPHZ-IBGZPJMESA-N 0 1 381.520 3.851 20 10 GHCDMN CCCCCC[C@H](C)NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000917089696 891081281 /nfs/dbraw/zinc/08/12/81/891081281.db2.gz FNZVYHUSYRNMDS-IBGZPJMESA-N 0 1 375.557 3.682 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275369976 913587849 /nfs/dbraw/zinc/58/78/49/913587849.db2.gz HPCARKTYWPXEJG-QAPCUYQASA-N 0 1 377.960 3.923 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c(C)n1-c1ccccc1 ZINC000778209158 893366534 /nfs/dbraw/zinc/36/65/34/893366534.db2.gz KHULCTNSGLKVEC-RUZDIDTESA-N 0 1 399.494 3.873 20 10 GHCDMN CC(=O)N(c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1)[C@@H]1C[C@@H]1C ZINC000815162111 893501028 /nfs/dbraw/zinc/50/10/28/893501028.db2.gz CUBKYTJEALCZSE-MHECFPHRSA-N 0 1 392.547 3.812 20 10 GHCDMN CSc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000127216536 894414999 /nfs/dbraw/zinc/41/49/99/894414999.db2.gz IPNBVGUFTBLWTE-QGZVFWFLSA-N 0 1 399.560 3.704 20 10 GHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000816483275 894852209 /nfs/dbraw/zinc/85/22/09/894852209.db2.gz MODFEQGDMHZPDR-ZDUSSCGKSA-N 0 1 378.879 3.882 20 10 GHCDMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000816488933 894856833 /nfs/dbraw/zinc/85/68/33/894856833.db2.gz IGDCXRCFHPAKAE-ZDUSSCGKSA-N 0 1 377.847 3.739 20 10 GHCDMN O=C(Cc1ccccc1F)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816497671 894877505 /nfs/dbraw/zinc/87/75/05/894877505.db2.gz MTYAQCRLVQPTBC-UHFFFAOYSA-N 0 1 378.447 3.571 20 10 GHCDMN OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc2ccccc2c1O ZINC000816509708 894887665 /nfs/dbraw/zinc/88/76/65/894887665.db2.gz ZJIJOXSOXHSWAO-UHFFFAOYSA-N 0 1 387.483 3.785 20 10 GHCDMN COc1ccccc1[C@H](NCc1cc(Cl)c(F)cc1O)c1noc(C)n1 ZINC000816551550 894926459 /nfs/dbraw/zinc/92/64/59/894926459.db2.gz GDOGJNUOINJGAN-KRWDZBQOSA-N 0 1 377.803 3.764 20 10 GHCDMN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1Cl ZINC000816591423 894935414 /nfs/dbraw/zinc/93/54/14/894935414.db2.gz DMTQFDKVZJUBTK-UHFFFAOYSA-N 0 1 375.877 3.892 20 10 GHCDMN O=C1NCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1Cc1ccccc1 ZINC000816642065 894987372 /nfs/dbraw/zinc/98/73/72/894987372.db2.gz OHCWSAHEMNOXDQ-QGZVFWFLSA-N 0 1 379.287 3.632 20 10 GHCDMN O=C1NCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1Cc1ccccc1 ZINC000816642065 894987387 /nfs/dbraw/zinc/98/73/87/894987387.db2.gz OHCWSAHEMNOXDQ-QGZVFWFLSA-N 0 1 379.287 3.632 20 10 GHCDMN CCN(CC)[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000819581761 896824728 /nfs/dbraw/zinc/82/47/28/896824728.db2.gz FBEWGSUWPRHDMX-CVDCTZTESA-N 0 1 395.547 3.721 20 10 GHCDMN Cc1nn(-c2ccccn2)c(Cl)c1CNCc1ccc2c(c1)CCCN2C ZINC000796281250 914118344 /nfs/dbraw/zinc/11/83/44/914118344.db2.gz IVQYHFFUNHWFOM-UHFFFAOYSA-N 0 1 381.911 3.901 20 10 GHCDMN CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1Cl ZINC000883189940 897354868 /nfs/dbraw/zinc/35/48/68/897354868.db2.gz RUCBFEPVHNNGJW-QGZVFWFLSA-N 0 1 398.981 3.877 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(Br)ccc1[O-] ZINC000883263421 897417532 /nfs/dbraw/zinc/41/75/32/897417532.db2.gz SGNSYKJQHRWYBN-DZGCQCFKSA-N 0 1 384.314 3.781 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000131577899 897522203 /nfs/dbraw/zinc/52/22/03/897522203.db2.gz JKYNWZATFJPBEA-UHFFFAOYSA-N 0 1 396.922 3.970 20 10 GHCDMN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778642313 897812839 /nfs/dbraw/zinc/81/28/39/897812839.db2.gz CTBKAURJLUSNFG-GOEBONIOSA-N 0 1 389.883 3.954 20 10 GHCDMN Cc1c(Br)cncc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000824542466 899701320 /nfs/dbraw/zinc/70/13/20/899701320.db2.gz SNSQOLSMMQVPQK-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824627177 899725900 /nfs/dbraw/zinc/72/59/00/899725900.db2.gz IYORIROBFMYMMT-ZDUSSCGKSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824627177 899725910 /nfs/dbraw/zinc/72/59/10/899725910.db2.gz IYORIROBFMYMMT-ZDUSSCGKSA-N 0 1 399.329 3.891 20 10 GHCDMN CCOCc1cc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC ZINC000825109990 899976922 /nfs/dbraw/zinc/97/69/22/899976922.db2.gz BUCJYUPMRBNWMM-IRXDYDNUSA-N 0 1 382.504 3.688 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000825143185 900003518 /nfs/dbraw/zinc/00/35/18/900003518.db2.gz FDWGXNMKRUQZDQ-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN CC[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213306 900608534 /nfs/dbraw/zinc/60/85/34/900608534.db2.gz WPKWZEGUTGQRHR-JQYPEGPJSA-N 0 1 395.459 3.793 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CNCc3cccc(Cl)c3Cl)cc2)CC1 ZINC000886325692 900935435 /nfs/dbraw/zinc/93/54/35/900935435.db2.gz OBHKHPORBNXABL-UHFFFAOYSA-N 0 1 392.330 3.985 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000886749679 901254901 /nfs/dbraw/zinc/25/49/01/901254901.db2.gz ZWTDUQPMDWUUFH-HNNXBMFYSA-N 0 1 398.576 3.574 20 10 GHCDMN CN(CC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001144299282 901649431 /nfs/dbraw/zinc/64/94/31/901649431.db2.gz UQLHAKPHXORGTE-UHFFFAOYSA-N 0 1 391.281 3.593 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846017209 902598153 /nfs/dbraw/zinc/59/81/53/902598153.db2.gz DENPRWVJPQOAIB-UHFFFAOYSA-N 0 1 390.821 3.522 20 10 GHCDMN CC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846108187 902685957 /nfs/dbraw/zinc/68/59/57/902685957.db2.gz WVMQENMWGUJYGV-OAHLLOKOSA-N 0 1 377.366 3.660 20 10 GHCDMN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(F)c(F)cc1Br ZINC001186719475 914775730 /nfs/dbraw/zinc/77/57/30/914775730.db2.gz AXFNLNJPOFFDKN-UHFFFAOYSA-N 0 1 398.612 3.887 20 10 GHCDMN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773107625 904442296 /nfs/dbraw/zinc/44/22/96/904442296.db2.gz YYGZUIVQMRSUJM-OAHLLOKOSA-N 0 1 390.959 3.886 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163044 905034730 /nfs/dbraw/zinc/03/47/30/905034730.db2.gz VHGQRWGUGRGCNL-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163044 905034744 /nfs/dbraw/zinc/03/47/44/905034744.db2.gz VHGQRWGUGRGCNL-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN Oc1ccccc1CN(Cc1cnn(Cc2ccc(F)cc2)c1)C[C@H]1CCCO1 ZINC000189540647 905151146 /nfs/dbraw/zinc/15/11/46/905151146.db2.gz NMUXGMMOHPLVFO-JOCHJYFZSA-N 0 1 395.478 3.957 20 10 GHCDMN C[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccsc1 ZINC000801569984 921140610 /nfs/dbraw/zinc/14/06/10/921140610.db2.gz KTNZZNMAHUSGKZ-CYBMUJFWSA-N 0 1 390.464 3.813 20 10 GHCDMN CCCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1O ZINC000801596844 921176183 /nfs/dbraw/zinc/17/61/83/921176183.db2.gz QRXFILWNNMGFME-UHFFFAOYSA-N 0 1 392.297 3.791 20 10 GHCDMN Cc1[nH]ncc1CCCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299080613 921178486 /nfs/dbraw/zinc/17/84/86/921178486.db2.gz QNTPEDXRTXZFFT-UHFFFAOYSA-N 0 1 395.507 3.722 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001179881475 909802848 /nfs/dbraw/zinc/80/28/48/909802848.db2.gz GJMIELHQYWJQCM-ZDUSSCGKSA-N 0 1 392.849 3.977 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001179881475 909802867 /nfs/dbraw/zinc/80/28/67/909802867.db2.gz GJMIELHQYWJQCM-ZDUSSCGKSA-N 0 1 392.849 3.977 20 10 GHCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)c2[nH]1 ZINC000801826321 921528183 /nfs/dbraw/zinc/52/81/83/921528183.db2.gz JYXJXHVWTGOMOU-KBPBESRZSA-N 0 1 396.466 3.554 20 10 GHCDMN Cc1ccccc1-c1nc(CNCc2cc(Br)cc(F)c2O)no1 ZINC001181125633 910558008 /nfs/dbraw/zinc/55/80/08/910558008.db2.gz RCGPJJBZEVZYRB-UHFFFAOYSA-N 0 1 392.228 3.942 20 10 GHCDMN Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000774005800 911227722 /nfs/dbraw/zinc/22/77/22/911227722.db2.gz UBGPEKQZIQQRRK-CQSZACIVSA-N 0 1 380.496 3.606 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CC23CCOCC3)C1 ZINC000774139520 911405712 /nfs/dbraw/zinc/40/57/12/911405712.db2.gz MSWDPIZFCDIZBK-GOSISDBHSA-N 0 1 396.531 3.768 20 10 GHCDMN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092145462 911423139 /nfs/dbraw/zinc/42/31/39/911423139.db2.gz QNEGHZINYJKXPF-UHFFFAOYSA-N 0 1 383.330 3.625 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000774178880 911498567 /nfs/dbraw/zinc/49/85/67/911498567.db2.gz IJWSBTAEMFMYNM-ZWKOTPCHSA-N 0 1 384.520 3.766 20 10 GHCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000775286837 916853250 /nfs/dbraw/zinc/85/32/50/916853250.db2.gz PFXNDVJVZRFDRA-UHFFFAOYSA-N 0 1 383.425 3.647 20 10 GHCDMN Nc1ccc(N(Cc2ccccc2)C(=O)c2cnc(-c3ccccn3)[nH]c2=O)cc1 ZINC001190632700 917464633 /nfs/dbraw/zinc/46/46/33/917464633.db2.gz MQDUXCUXFHMDED-UHFFFAOYSA-N 0 1 397.438 3.673 20 10 GHCDMN CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775484741 918233949 /nfs/dbraw/zinc/23/39/49/918233949.db2.gz IHXKIZOYZBHCEM-ZQIUZPCESA-N 0 1 385.346 3.695 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1cc(Br)ccc1[O-] ZINC000775487587 918249198 /nfs/dbraw/zinc/24/91/98/918249198.db2.gz LDLLYSQKXABJTK-MRXNPFEDSA-N 0 1 395.297 3.816 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487334 918255990 /nfs/dbraw/zinc/25/59/90/918255990.db2.gz AOLCVAQWOHINQY-YVEFUNNKSA-N 0 1 382.913 3.756 20 10 GHCDMN CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000775492900 918318907 /nfs/dbraw/zinc/31/89/07/918318907.db2.gz QHSINTRBNOMHRL-KRWDZBQOSA-N 0 1 391.309 3.934 20 10 GHCDMN Oc1ccccc1C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCCO1 ZINC001192015009 918358819 /nfs/dbraw/zinc/35/88/19/918358819.db2.gz YNROWLWZGIMSAX-MRXNPFEDSA-N 0 1 377.387 3.895 20 10 GHCDMN CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(Br)ccc1[O-] ZINC000775501673 918415512 /nfs/dbraw/zinc/41/55/12/918415512.db2.gz JVYOCPJPYPEXTO-KRWDZBQOSA-N 0 1 397.357 3.840 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775508831 918440507 /nfs/dbraw/zinc/44/05/07/918440507.db2.gz XPBRTOQGPGDXIR-XPKDYRNWSA-N 0 1 383.330 3.842 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775508828 918440555 /nfs/dbraw/zinc/44/05/55/918440555.db2.gz XPBRTOQGPGDXIR-BJJXKVORSA-N 0 1 383.330 3.842 20 10 GHCDMN CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000775508160 918473089 /nfs/dbraw/zinc/47/30/89/918473089.db2.gz AEIBUESRYJAWHZ-QGZVFWFLSA-N 0 1 376.294 3.725 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2cnc(C3CC3)o2)C1 ZINC000654300665 918991465 /nfs/dbraw/zinc/99/14/65/918991465.db2.gz MBGINJVOVMIRCF-UHFFFAOYSA-N 0 1 392.503 3.590 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1-c1ccccc1 ZINC000281401277 919590145 /nfs/dbraw/zinc/59/01/45/919590145.db2.gz YSMPJVFWVSAGJJ-QGZVFWFLSA-N 0 1 380.467 3.699 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCC(F)(F)C1 ZINC000800519718 920239551 /nfs/dbraw/zinc/23/95/51/920239551.db2.gz UQWLIGQIERTTEJ-BBRMVZONSA-N 0 1 386.870 3.952 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2Cl)C1 ZINC000800572604 920283661 /nfs/dbraw/zinc/28/36/61/920283661.db2.gz ZQYOOPNHTSKIMS-QRWLVFNGSA-N 0 1 375.944 3.819 20 10 GHCDMN Cc1[nH]ncc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800701311 920376180 /nfs/dbraw/zinc/37/61/80/920376180.db2.gz ZQOHANBRYHAYKY-ZDUSSCGKSA-N 0 1 375.904 3.607 20 10 GHCDMN COc1cc(O)c(CN[C@H]2COc3cc(F)c(Br)cc32)cc1OC ZINC000368525917 922730002 /nfs/dbraw/zinc/73/00/02/922730002.db2.gz GMKKANKAFLMVHO-ZDUSSCGKSA-N 0 1 398.228 3.534 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC001137342825 924878893 /nfs/dbraw/zinc/87/88/93/924878893.db2.gz OCUGKLRTWZMASK-UHFFFAOYSA-N 0 1 383.467 3.654 20 10 GHCDMN CSc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC001137438310 925788685 /nfs/dbraw/zinc/78/86/85/925788685.db2.gz KVFDYRMSCULVKL-OAHLLOKOSA-N 0 1 391.924 3.557 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000749837888 927305430 /nfs/dbraw/zinc/30/54/30/927305430.db2.gz GTTDDFRJSRBKEO-UXHICEINSA-N 0 1 387.568 3.540 20 10 GHCDMN CCOCc1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1OC ZINC000749927347 927353053 /nfs/dbraw/zinc/35/30/53/927353053.db2.gz VAPYNDIISIPEIL-IBGZPJMESA-N 0 1 388.895 3.780 20 10 GHCDMN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000753949670 929609037 /nfs/dbraw/zinc/60/90/37/929609037.db2.gz HGMZSNLMXVJBQX-UHFFFAOYSA-N 0 1 377.462 3.720 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCCN(c4ncccc4F)CC3)c2c1 ZINC000783981536 931739845 /nfs/dbraw/zinc/73/98/45/931739845.db2.gz FXVKEESQFVMGGQ-UHFFFAOYSA-N 0 1 381.451 3.800 20 10 GHCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000777565164 931826269 /nfs/dbraw/zinc/82/62/69/931826269.db2.gz QDSOLMYJGCKPRA-GFCCVEGCSA-N 0 1 396.409 3.518 20 10 GHCDMN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000777565164 931826272 /nfs/dbraw/zinc/82/62/72/931826272.db2.gz QDSOLMYJGCKPRA-GFCCVEGCSA-N 0 1 396.409 3.518 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000797530178 932321736 /nfs/dbraw/zinc/32/17/36/932321736.db2.gz PRWKYHVMXKSLGV-HNNXBMFYSA-N 0 1 386.879 3.733 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1[O-] ZINC000797530178 932321745 /nfs/dbraw/zinc/32/17/45/932321745.db2.gz PRWKYHVMXKSLGV-HNNXBMFYSA-N 0 1 386.879 3.733 20 10 GHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000799738117 933105871 /nfs/dbraw/zinc/10/58/71/933105871.db2.gz RADDCKLJYHTKBL-JOYOIKCWSA-N 0 1 393.119 3.917 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001137834506 935813495 /nfs/dbraw/zinc/81/34/95/935813495.db2.gz JIPIPNIXZGQTBE-PGRDOPGGSA-N 0 1 386.467 3.514 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC4(C3)Oc3ccccc3O4)cc2)CC1 ZINC000829935493 935883569 /nfs/dbraw/zinc/88/35/69/935883569.db2.gz FFCZKCRFQXYJLL-UHFFFAOYSA-N 0 1 380.488 3.675 20 10 GHCDMN CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001598306177 991263963 /nfs/dbraw/zinc/26/39/63/991263963.db2.gz UGYRHSUIVUZZSC-LLVKDONJSA-N 0 1 381.448 3.565 20 10 GHCDMN CN(C)c1ccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)cc1 ZINC001598317974 991309931 /nfs/dbraw/zinc/30/99/31/991309931.db2.gz SWHQXDSRWAUHLA-UHFFFAOYSA-N 0 1 391.309 3.992 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277214061 1032440065 /nfs/dbraw/zinc/44/00/65/1032440065.db2.gz UDJUIHBEADWQQB-LJQANCHMSA-N 0 1 386.870 3.824 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)cc1Cl ZINC001277214061 1032440073 /nfs/dbraw/zinc/44/00/73/1032440073.db2.gz UDJUIHBEADWQQB-LJQANCHMSA-N 0 1 386.870 3.824 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)c3ccncc3F)c1C2=O ZINC001227994663 1032729923 /nfs/dbraw/zinc/72/99/23/1032729923.db2.gz OYRBTUVCYAJVEB-NSHDSACASA-N 0 1 393.370 3.856 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3CCOC(C)(C)C3)c1C2=O ZINC001227994575 1032730492 /nfs/dbraw/zinc/73/04/92/1032730492.db2.gz NLUXMNLUDTUDOJ-CYBMUJFWSA-N 0 1 382.412 3.518 20 10 GHCDMN Cn1c2ccccc2n(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)c1=O ZINC001204322954 1032768813 /nfs/dbraw/zinc/76/88/13/1032768813.db2.gz WIJIJVYUNGUHGV-UHFFFAOYSA-N 0 1 390.531 3.777 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1)c1ccccc1F ZINC001204329375 1032773281 /nfs/dbraw/zinc/77/32/81/1032773281.db2.gz OMAKJKUSSXVMGB-LJQANCHMSA-N 0 1 381.495 3.820 20 10 GHCDMN COc1cc(Br)cc(CN2CCC(Oc3ccccn3)CC2)c1O ZINC001204338543 1032779158 /nfs/dbraw/zinc/77/91/58/1032779158.db2.gz JYUXBXZWRODNTR-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN OC1CCN(c2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001140281392 1021309663 /nfs/dbraw/zinc/30/96/63/1021309663.db2.gz FEFTYAWRMQYZFG-UHFFFAOYSA-N 0 1 385.939 3.623 20 10 GHCDMN OC1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CN4c3ccccc3Cl)cc2)CC1 ZINC001140288652 1021322867 /nfs/dbraw/zinc/32/28/67/1021322867.db2.gz RDTSUKTZNQDIBX-PMACEKPBSA-N 0 1 397.950 3.764 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001140339293 1021447101 /nfs/dbraw/zinc/44/71/01/1021447101.db2.gz HOEVHZJELQBCJM-KRWDZBQOSA-N 0 1 388.895 3.781 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4c([O-])cccc4Cl)C3)C2=O)c1 ZINC001140340311 1021448018 /nfs/dbraw/zinc/44/80/18/1021448018.db2.gz UMGSPDYDCDFMLX-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4c([O-])cccc4Cl)C3)C2=O)c1 ZINC001140340311 1021448030 /nfs/dbraw/zinc/44/80/30/1021448030.db2.gz UMGSPDYDCDFMLX-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN O=C1CCC2(CC[NH+](Cc3c([O-])cccc3Cl)CC2)N1Cc1ccncc1 ZINC001140339917 1021448647 /nfs/dbraw/zinc/44/86/47/1021448647.db2.gz PEMFAYBLVTYZAB-UHFFFAOYSA-N 0 1 385.895 3.598 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cc(Br)ccc1[O-] ZINC000834915771 1021678023 /nfs/dbraw/zinc/67/80/23/1021678023.db2.gz ZVKUUAJNJZBAFP-JLJPHGGASA-N 0 1 394.313 3.849 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140467382 1021764362 /nfs/dbraw/zinc/76/43/62/1021764362.db2.gz OWCWUOPOFZRDRQ-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN Cn1cnc2cc(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)ccc21 ZINC001140511209 1021899955 /nfs/dbraw/zinc/89/99/55/1021899955.db2.gz LIMPREUSVSENDL-UHFFFAOYSA-N 0 1 390.409 3.794 20 10 GHCDMN Fc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)c1 ZINC001140661831 1022198394 /nfs/dbraw/zinc/19/83/94/1022198394.db2.gz UUVPFACXQAFYHB-UHFFFAOYSA-N 0 1 388.458 3.845 20 10 GHCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@H](Sc2ccncc2)C1 ZINC001140661914 1022198690 /nfs/dbraw/zinc/19/86/90/1022198690.db2.gz XRDFFOXLSRUUIF-FQEVSTJZSA-N 0 1 387.524 3.814 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000754319052 1022615540 /nfs/dbraw/zinc/61/55/40/1022615540.db2.gz XNGAAMBWDHMAQP-UKRRQHHQSA-N 0 1 394.487 3.859 20 10 GHCDMN COc1cc(C)cc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1O ZINC000754740497 1022871978 /nfs/dbraw/zinc/87/19/78/1022871978.db2.gz UDNOPBXYASYXRV-GOSISDBHSA-N 0 1 394.471 3.850 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(C)c3Cl)cc2F)CC1 ZINC000754838520 1022924903 /nfs/dbraw/zinc/92/49/03/1022924903.db2.gz LUHAETRSGFQTJK-UHFFFAOYSA-N 0 1 389.902 3.859 20 10 GHCDMN COC(=O)[C@H]1CCN(Cc2c(O)cc(OC)cc2OC)[C@H](c2ccccc2)C1 ZINC001141030670 1023295416 /nfs/dbraw/zinc/29/54/16/1023295416.db2.gz GBSMTUYUJIBAQG-LPHOPBHVSA-N 0 1 385.460 3.536 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000756139450 1023534135 /nfs/dbraw/zinc/53/41/35/1023534135.db2.gz HMOBDPKRQUCOAN-UHFFFAOYSA-N 0 1 386.293 3.884 20 10 GHCDMN Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccc5c(c4)OCCN5C)C[C@H]3O2)sc1C ZINC001141142163 1023573718 /nfs/dbraw/zinc/57/37/18/1023573718.db2.gz IFFPQGWSVWKLQM-IOMROCGXSA-N 0 1 399.560 3.941 20 10 GHCDMN C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cc(Br)ccc1[O-] ZINC000756445289 1023654804 /nfs/dbraw/zinc/65/48/04/1023654804.db2.gz MRKGQCIDMPGXQP-LBPRGKRZSA-N 0 1 381.339 3.925 20 10 GHCDMN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756461782 1023664890 /nfs/dbraw/zinc/66/48/90/1023664890.db2.gz VRSIIYPJCNLKBI-HOCLYGCPSA-N 0 1 394.309 3.862 20 10 GHCDMN COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C2 ZINC000756538522 1023704968 /nfs/dbraw/zinc/70/49/68/1023704968.db2.gz CFLZOEUTGKAZKE-BXUZGUMPSA-N 0 1 378.266 3.818 20 10 GHCDMN C[C@H](NCc1n[nH]cc1Br)c1cc(Br)c(F)cc1O ZINC000756586371 1023723257 /nfs/dbraw/zinc/72/32/57/1023723257.db2.gz TXRXORZIHLRHOD-LURJTMIESA-N 0 1 393.054 3.630 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])C2)c1 ZINC000756639416 1023748975 /nfs/dbraw/zinc/74/89/75/1023748975.db2.gz YNHBYTWKSROWOM-UKRRQHHQSA-N 0 1 376.884 3.992 20 10 GHCDMN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)Cc3cc(C)[nH]n3)c2C)c1 ZINC000756702471 1023780645 /nfs/dbraw/zinc/78/06/45/1023780645.db2.gz LXPOLCDCFWEMHO-UHFFFAOYSA-N 0 1 397.500 3.816 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000756760540 1023803274 /nfs/dbraw/zinc/80/32/74/1023803274.db2.gz JRJQKSUABONMPZ-MLGOLLRUSA-N 0 1 381.314 3.739 20 10 GHCDMN C[N@@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccc(N2CCCC2)cc1 ZINC001138192902 1024340205 /nfs/dbraw/zinc/34/02/05/1024340205.db2.gz IFSPTLUPFPYTJF-UHFFFAOYSA-N 0 1 377.488 3.958 20 10 GHCDMN Cc1c(CN2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138260208 1024490035 /nfs/dbraw/zinc/49/00/35/1024490035.db2.gz YWRGLYJFMONAAY-NRFANRHFSA-N 0 1 375.488 3.925 20 10 GHCDMN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375161 1024768327 /nfs/dbraw/zinc/76/83/27/1024768327.db2.gz YBMSDOZUCLUMOV-SNVBAGLBSA-N 0 1 376.678 3.583 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3[nH]c4ccccc4c3C)CC2)cc1 ZINC001138400291 1024779565 /nfs/dbraw/zinc/77/95/65/1024779565.db2.gz OHMGYRBHZWSWCW-UHFFFAOYSA-N 0 1 379.504 3.824 20 10 GHCDMN C[C@]1(c2ccc(Cl)cc2)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001138499177 1024931893 /nfs/dbraw/zinc/93/18/93/1024931893.db2.gz BHFZVRPSXXQLBA-JOCHJYFZSA-N 0 1 386.923 3.924 20 10 GHCDMN C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500623 1024934202 /nfs/dbraw/zinc/93/42/02/1024934202.db2.gz DORWBMJZPPCQDZ-LJQANCHMSA-N 0 1 383.511 3.541 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1[O-] ZINC000832048297 1025177187 /nfs/dbraw/zinc/17/71/87/1025177187.db2.gz MPVZMPXBJCJHJD-KDOFPFPSSA-N 0 1 379.884 3.756 20 10 GHCDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676189 1025201145 /nfs/dbraw/zinc/20/11/45/1025201145.db2.gz CUCYKAABOOJTBZ-GOSISDBHSA-N 0 1 385.321 4.000 20 10 GHCDMN COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC001139129867 1025941310 /nfs/dbraw/zinc/94/13/10/1025941310.db2.gz IHFUOGXTXOXMIK-LJQANCHMSA-N 0 1 393.439 3.931 20 10 GHCDMN COc1ccccc1[C@H](O)C[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001139131619 1025943078 /nfs/dbraw/zinc/94/30/78/1025943078.db2.gz PYCUTHFUYFTUTP-HXUWFJFHSA-N 0 1 397.471 3.760 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCCC1 ZINC001139262200 1026111809 /nfs/dbraw/zinc/11/18/09/1026111809.db2.gz BIVVTRICIVCOOY-UHFFFAOYSA-N 0 1 397.563 3.767 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncc4c(C)csc4n3)CC2)cc1 ZINC001164328235 1026487459 /nfs/dbraw/zinc/48/74/59/1026487459.db2.gz VGZNGQVKYKMUCK-UHFFFAOYSA-N 0 1 397.548 3.633 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3[O-])CC[C@@H]2C1 ZINC001139681494 1026536195 /nfs/dbraw/zinc/53/61/95/1026536195.db2.gz SKUFTELWHMUVJQ-OKILXGFUSA-N 0 1 382.451 3.749 20 10 GHCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@@H]1c1ccccc1 ZINC001140101897 1026881487 /nfs/dbraw/zinc/88/14/87/1026881487.db2.gz CXVSXXOOAUVLLT-HUUCEWRRSA-N 0 1 390.277 3.543 20 10 GHCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@@H]1c1ccccc1 ZINC001140101897 1026881492 /nfs/dbraw/zinc/88/14/92/1026881492.db2.gz CXVSXXOOAUVLLT-HUUCEWRRSA-N 0 1 390.277 3.543 20 10 GHCDMN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC001140102431 1026882934 /nfs/dbraw/zinc/88/29/34/1026882934.db2.gz QULKHBGAIYIDPP-AWEZNQCLSA-N 0 1 377.282 3.902 20 10 GHCDMN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC001140102431 1026882938 /nfs/dbraw/zinc/88/29/38/1026882938.db2.gz QULKHBGAIYIDPP-AWEZNQCLSA-N 0 1 377.282 3.902 20 10 GHCDMN CN(C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC001140101996 1026882951 /nfs/dbraw/zinc/88/29/51/1026882951.db2.gz GTILPSQHQOHNDU-CYBMUJFWSA-N 0 1 399.329 3.986 20 10 GHCDMN CN(C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC001140101996 1026882959 /nfs/dbraw/zinc/88/29/59/1026882959.db2.gz GTILPSQHQOHNDU-CYBMUJFWSA-N 0 1 399.329 3.986 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001203578050 1027447019 /nfs/dbraw/zinc/44/70/19/1027447019.db2.gz KMCXUQUMHZFJAI-APWZRJJASA-N 0 1 395.286 3.906 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]12 ZINC001203657381 1027512100 /nfs/dbraw/zinc/51/21/00/1027512100.db2.gz DDYWLYLDOSQIIM-FGZHOGPDSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]12 ZINC001203657381 1027512106 /nfs/dbraw/zinc/51/21/06/1027512106.db2.gz DDYWLYLDOSQIIM-FGZHOGPDSA-N 0 1 384.907 3.810 20 10 GHCDMN Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cc(Cl)ccc2[O-])CC3)n1 ZINC001203656849 1027512128 /nfs/dbraw/zinc/51/21/28/1027512128.db2.gz ZTDOKLZBFFAVDE-UHFFFAOYSA-N 0 1 399.922 3.906 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001203658347 1027514856 /nfs/dbraw/zinc/51/48/56/1027514856.db2.gz KIKGDLQRMQXILM-UHFFFAOYSA-N 0 1 393.940 3.621 20 10 GHCDMN COc1ccc(O)c(CN2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)c1 ZINC001203673008 1027523992 /nfs/dbraw/zinc/52/39/92/1027523992.db2.gz JNBCRJVEXYREAD-QHCPKHFHSA-N 0 1 382.504 3.581 20 10 GHCDMN Cc1cc(C(=O)NC2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)c(C)o1 ZINC000840913508 1027949111 /nfs/dbraw/zinc/94/91/11/1027949111.db2.gz GOZJOYKXDSINQU-UHFFFAOYSA-N 0 1 376.884 3.958 20 10 GHCDMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746622 1028908278 /nfs/dbraw/zinc/90/82/78/1028908278.db2.gz JFDYGPCHDGLNRE-CQSZACIVSA-N 0 1 396.940 3.927 20 10 GHCDMN COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(Cl)cc3[O-])C2=O)c1 ZINC000841752635 1028911848 /nfs/dbraw/zinc/91/18/48/1028911848.db2.gz UIYUHALTTHOJPA-SGTLLEGYSA-N 0 1 390.867 3.519 20 10 GHCDMN CCOCc1cc(CNCc2cccc(OCC(F)(F)F)n2)ccc1OC ZINC001461484797 1069571388 /nfs/dbraw/zinc/57/13/88/1069571388.db2.gz HOWZVBWSFVPVIL-UHFFFAOYSA-N 0 1 384.398 3.858 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000842614365 1029414861 /nfs/dbraw/zinc/41/48/61/1029414861.db2.gz HRZXHQQRCQEDMG-PXNSSMCTSA-N 0 1 381.472 3.720 20 10 GHCDMN C[C@@H]1CN(Cc2ccc(-c3nc(Cc4ccc(N)cc4)no3)cc2)C[C@H](C)O1 ZINC000843162000 1029835715 /nfs/dbraw/zinc/83/57/15/1029835715.db2.gz SHXXJWZMKINYPK-IYBDPMFKSA-N 0 1 378.476 3.519 20 10 GHCDMN C[C@H]1CN(Cc2ccc(-c3nc(Cc4ccc(N)cc4)no3)cc2)C[C@H](C)O1 ZINC000843161996 1029836034 /nfs/dbraw/zinc/83/60/34/1029836034.db2.gz SHXXJWZMKINYPK-HOTGVXAUSA-N 0 1 378.476 3.519 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3c[nH]c4ccc(C(=O)OC)cc34)CC2)cc1 ZINC001143240259 1029937784 /nfs/dbraw/zinc/93/77/84/1029937784.db2.gz AAXVHUMMAJPWEJ-UHFFFAOYSA-N 0 1 393.487 3.675 20 10 GHCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000843413383 1029988233 /nfs/dbraw/zinc/98/82/33/1029988233.db2.gz HIUCWTKEOLIJRY-GFCCVEGCSA-N 0 1 393.119 3.917 20 10 GHCDMN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC000843413723 1029988415 /nfs/dbraw/zinc/98/84/15/1029988415.db2.gz OMUICVSRXBKKNM-UHFFFAOYSA-N 0 1 387.879 3.898 20 10 GHCDMN COc1ccc2c(c1)CCN[C@@H]2C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218956246 1031175200 /nfs/dbraw/zinc/17/52/00/1031175200.db2.gz ULXNPGYKWKZYHV-QHCPKHFHSA-N 0 1 387.483 3.698 20 10 GHCDMN COC(=O)CC1CCC(Oc2ccc3c(c2)C(=O)c2ccc(O)cc2C3=O)CC1 ZINC001229189786 1033329983 /nfs/dbraw/zinc/32/99/83/1033329983.db2.gz BUYJAGDVCZCTKM-UHFFFAOYSA-N 0 1 394.423 3.668 20 10 GHCDMN COc1c(C)c(O[C@H]2CCCN(C)CC2)cc2c1C(=O)c1ccccc1C2=O ZINC001229457788 1033492721 /nfs/dbraw/zinc/49/27/21/1033492721.db2.gz MPAGILVMIXYWCV-HNNXBMFYSA-N 0 1 379.456 3.642 20 10 GHCDMN CC(C)C[C@H]1CN(C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206567179 1033910261 /nfs/dbraw/zinc/91/02/61/1033910261.db2.gz XBAOMMSIBUJTLW-KRWDZBQOSA-N 0 1 392.507 3.590 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(n3cnc4ccccc4c3=O)CC2)c(Cl)c1 ZINC001207838492 1034616950 /nfs/dbraw/zinc/61/69/50/1034616950.db2.gz ZPWIJWQJLHPOAO-UHFFFAOYSA-N 0 1 383.879 3.901 20 10 GHCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(Br)cc3)C2)c1 ZINC001231563866 1034712356 /nfs/dbraw/zinc/71/23/56/1034712356.db2.gz FQIUURPUOPEIKR-AWEZNQCLSA-N 0 1 376.250 3.842 20 10 GHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001231589102 1034743675 /nfs/dbraw/zinc/74/36/75/1034743675.db2.gz WLAKIDKNWMMCGG-HYBUGGRVSA-N 0 1 390.483 3.606 20 10 GHCDMN COC(=O)c1ccc(OC2CCN(Cc3ccc(N(C)C)cc3OC)CC2)cc1 ZINC001231853072 1034943522 /nfs/dbraw/zinc/94/35/22/1034943522.db2.gz DRPLJVJNZQWIMX-UHFFFAOYSA-N 0 1 398.503 3.591 20 10 GHCDMN COc1cc(N(C)C)ccc1CN1CCC(Oc2cccc(Cl)n2)CC1 ZINC001231855009 1034944715 /nfs/dbraw/zinc/94/47/15/1034944715.db2.gz OCTPCZXVKFQYRY-UHFFFAOYSA-N 0 1 375.900 3.853 20 10 GHCDMN CC[C@@H]1[N@H+](Cc2cc(Cl)c(C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001231866136 1034952592 /nfs/dbraw/zinc/95/25/92/1034952592.db2.gz CFZJHXFCEVWKAB-FPOVZHCZSA-N 0 1 394.943 3.736 20 10 GHCDMN CC[C@@H]1[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CCC[C@]12CCC(=O)N2CCOC ZINC001231866136 1034952598 /nfs/dbraw/zinc/95/25/98/1034952598.db2.gz CFZJHXFCEVWKAB-FPOVZHCZSA-N 0 1 394.943 3.736 20 10 GHCDMN COC(=O)c1ccc(CN2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H](C)C2)cc1 ZINC001231911480 1034985813 /nfs/dbraw/zinc/98/58/13/1034985813.db2.gz HAMPLSZHCLARAM-HNNXBMFYSA-N 0 1 388.895 3.539 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001209520026 1035301115 /nfs/dbraw/zinc/30/11/15/1035301115.db2.gz KXVYXVSPDLMKRZ-UHFFFAOYSA-N 0 1 379.426 3.737 20 10 GHCDMN COc1ccc(N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)c1 ZINC001209679497 1035353533 /nfs/dbraw/zinc/35/35/33/1035353533.db2.gz UWQWTHCSPSQXOH-UHFFFAOYSA-N 0 1 393.531 3.562 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)CC2)cc1I ZINC001248462360 1035886838 /nfs/dbraw/zinc/88/68/38/1035886838.db2.gz VUMQYICUYPGPGA-NSHDSACASA-N 0 1 375.250 3.627 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)CC2)cc1I ZINC001248462360 1035886868 /nfs/dbraw/zinc/88/68/68/1035886868.db2.gz VUMQYICUYPGPGA-NSHDSACASA-N 0 1 375.250 3.627 20 10 GHCDMN COc1cc([O-])c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1I ZINC001248461896 1035886127 /nfs/dbraw/zinc/88/61/27/1035886127.db2.gz GKPYBSAIVXGVAU-VXGBXAGGSA-N 0 1 387.261 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CCOc1cccc(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1O ZINC000770311367 874591044 /nfs/dbraw/zinc/59/10/44/874591044.db2.gz CBNLCLODQLCUMZ-GOSISDBHSA-N 0 1 394.471 3.932 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000858110016 882855849 /nfs/dbraw/zinc/85/58/49/882855849.db2.gz GOEFJRUGMQMZPL-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528860551 875163490 /nfs/dbraw/zinc/16/34/90/875163490.db2.gz ICEINDXFFJJNPF-OKZBNKHCSA-N 0 1 390.936 3.991 20 10 GHCDMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000528860601 875163711 /nfs/dbraw/zinc/16/37/11/875163711.db2.gz IPKFNUSNQPFXSU-WMLDXEAASA-N 0 1 376.884 3.913 20 10 GHCDMN COCCOCc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858166406 882903220 /nfs/dbraw/zinc/90/32/20/882903220.db2.gz MFMBPAWXKJRYFL-UHFFFAOYSA-N 0 1 380.282 3.608 20 10 GHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(N2CCNC2=O)cc1 ZINC000858182295 882916187 /nfs/dbraw/zinc/91/61/87/882916187.db2.gz OKOHNGWPTJUGCB-GFCCVEGCSA-N 0 1 390.281 3.535 20 10 GHCDMN CN1CCN(c2ccc(C=C(Cl)c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1 ZINC000771517189 875308848 /nfs/dbraw/zinc/30/88/48/875308848.db2.gz DLPMDPJQHMHCEO-SFQUDFHCSA-N 0 1 397.866 3.960 20 10 GHCDMN CC(C)OC(=O)NCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000771855024 875520061 /nfs/dbraw/zinc/52/00/61/875520061.db2.gz SOVFFDFHXFLDIN-UHFFFAOYSA-N 0 1 396.535 3.685 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001202302636 876119103 /nfs/dbraw/zinc/11/91/03/876119103.db2.gz OQJPPEKZIOPFTA-UHFFFAOYSA-N 0 1 392.425 3.779 20 10 GHCDMN COc1cc(O)c(CNCc2cc(F)c(Br)cc2F)cc1OC ZINC000529661773 876480551 /nfs/dbraw/zinc/48/05/51/876480551.db2.gz HDDBHUXEXJEOAQ-UHFFFAOYSA-N 0 1 388.208 3.740 20 10 GHCDMN Fc1cc(CNC[C@@H](OC2CCCC2)C(F)(F)F)ccc1N1CCOCC1 ZINC000850356640 876846623 /nfs/dbraw/zinc/84/66/23/876846623.db2.gz YOIOMOZWKXBXEZ-GOSISDBHSA-N 0 1 390.421 3.642 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3nnn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000850487090 876960912 /nfs/dbraw/zinc/96/09/12/876960912.db2.gz FJBFDGCVNRSUMI-YJBOKZPZSA-N 0 1 395.482 3.653 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3nnn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000850487088 876961136 /nfs/dbraw/zinc/96/11/36/876961136.db2.gz FJBFDGCVNRSUMI-MAUKXSAKSA-N 0 1 395.482 3.653 20 10 GHCDMN CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000850500770 876975430 /nfs/dbraw/zinc/97/54/30/876975430.db2.gz JNFPVXQQGIQRTC-HOTGVXAUSA-N 0 1 389.293 3.783 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[O-] ZINC000850580509 877052845 /nfs/dbraw/zinc/05/28/45/877052845.db2.gz NWNSCAYQVOKYQV-GLEZIHRCSA-N 0 1 390.199 3.956 20 10 GHCDMN C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(Br)cc1[O-] ZINC000858452270 883107772 /nfs/dbraw/zinc/10/77/72/883107772.db2.gz IQSLPZNZKYABKO-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1 ZINC000746650995 877225835 /nfs/dbraw/zinc/22/58/35/877225835.db2.gz GSIDFNOVDQYOLM-UHFFFAOYSA-N 0 1 383.536 3.632 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N(Cc1ccccc1)C1CC1 ZINC000109761863 877424187 /nfs/dbraw/zinc/42/41/87/877424187.db2.gz NJDCDPWRTAFTRY-JOCHJYFZSA-N 0 1 394.515 3.564 20 10 GHCDMN CCn1nccc1CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000853093929 878809687 /nfs/dbraw/zinc/80/96/87/878809687.db2.gz NETKXPKKMMWNFI-UHFFFAOYSA-N 0 1 377.330 3.946 20 10 GHCDMN CC(C)(C)OC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CC1 ZINC000854475619 879838793 /nfs/dbraw/zinc/83/87/93/879838793.db2.gz VMTHWPBBASQOLZ-UHFFFAOYSA-N 0 1 386.275 3.993 20 10 GHCDMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)O1 ZINC001183510851 912608198 /nfs/dbraw/zinc/60/81/98/912608198.db2.gz HQQSEDHKXWPVAH-AOMKIAJQSA-N 0 1 388.458 3.536 20 10 GHCDMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000792162166 880933788 /nfs/dbraw/zinc/93/37/88/880933788.db2.gz GTSVXQBRCIRBOJ-CYBMUJFWSA-N 0 1 377.847 3.739 20 10 GHCDMN CCOC(=O)[C@]1(Cc2ccccc2)CCCN1Cc1cc(OC)c(OC)cc1O ZINC000792187921 880975031 /nfs/dbraw/zinc/97/50/31/880975031.db2.gz ULBBUCDQKCTFPA-HSZRJFAPSA-N 0 1 399.487 3.550 20 10 GHCDMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805174722 883656577 /nfs/dbraw/zinc/65/65/77/883656577.db2.gz KQXFECGLVKDMCO-FPJCUDJDSA-N 0 1 393.336 3.578 20 10 GHCDMN COCC[C@H](Cc1ccco1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805278059 883734170 /nfs/dbraw/zinc/73/41/70/883734170.db2.gz QWESFPJTFKNJSW-CYBMUJFWSA-N 0 1 387.263 3.739 20 10 GHCDMN COC(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCC1 ZINC000805281499 883735538 /nfs/dbraw/zinc/73/55/38/883735538.db2.gz OOKNQACVHPDPPJ-UHFFFAOYSA-N 0 1 389.279 3.622 20 10 GHCDMN CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242293 912803990 /nfs/dbraw/zinc/80/39/90/912803990.db2.gz UBBWGQOIDGBQKH-MRXNPFEDSA-N 0 1 395.341 3.529 20 10 GHCDMN Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142512664 884369320 /nfs/dbraw/zinc/36/93/20/884369320.db2.gz HNQOQBWYFGTVAH-CJNGLKHVSA-N 0 1 399.416 3.982 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000806182789 884425709 /nfs/dbraw/zinc/42/57/09/884425709.db2.gz CBNBWUVDOWZYLE-YJBOKZPZSA-N 0 1 394.924 3.550 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000860485623 884728245 /nfs/dbraw/zinc/72/82/45/884728245.db2.gz CXYCAFGOUCDTOU-CQSZACIVSA-N 0 1 379.464 3.639 20 10 GHCDMN O=C(NCCn1cnc2ccccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000806793021 884990250 /nfs/dbraw/zinc/99/02/50/884990250.db2.gz HULUGBJFQMRJPF-UHFFFAOYSA-N 0 1 379.247 3.548 20 10 GHCDMN CCOc1cc(C)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512150 885496815 /nfs/dbraw/zinc/49/68/15/885496815.db2.gz MGXBXZMUBVNCNX-UHFFFAOYSA-N 0 1 397.258 3.661 20 10 GHCDMN CC(C)c1csc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807512756 885497975 /nfs/dbraw/zinc/49/79/75/885497975.db2.gz HSSPQMYBRFLREC-UHFFFAOYSA-N 0 1 388.276 3.534 20 10 GHCDMN O=C(CCc1nc(-c2ccco2)no1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836730 885798925 /nfs/dbraw/zinc/79/89/25/885798925.db2.gz MLGLPHDHZXLVGV-UHFFFAOYSA-N 0 1 382.203 3.591 20 10 GHCDMN Cc1ccc(-n2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nn2)cc1 ZINC000807836343 885800992 /nfs/dbraw/zinc/80/09/92/885800992.db2.gz VDQYCFVOVOBPCK-UHFFFAOYSA-N 0 1 377.231 3.518 20 10 GHCDMN COc1ccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000807837300 885802068 /nfs/dbraw/zinc/80/20/68/885802068.db2.gz KOYWRAUSKAWOJU-UHFFFAOYSA-N 0 1 384.259 3.965 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000807837404 885802655 /nfs/dbraw/zinc/80/26/55/885802655.db2.gz OONOYAPRXLMFCR-AWEZNQCLSA-N 0 1 397.233 3.507 20 10 GHCDMN CCOC(=O)CSc1cncc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808086810 886006823 /nfs/dbraw/zinc/00/68/23/886006823.db2.gz IAIPDKLWMDXZAW-UHFFFAOYSA-N 0 1 388.276 3.756 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000862024322 886060126 /nfs/dbraw/zinc/06/01/26/886060126.db2.gz UXMPQJSNPZDXHS-GOSISDBHSA-N 0 1 383.536 3.678 20 10 GHCDMN CCCCN(C)C(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862228496 886225041 /nfs/dbraw/zinc/22/50/41/886225041.db2.gz FELHFGXSZIIUKD-UHFFFAOYSA-N 0 1 383.330 3.625 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862234246 886233191 /nfs/dbraw/zinc/23/31/91/886233191.db2.gz JFRJSKGNGCNXIQ-ZDUSSCGKSA-N 0 1 399.329 3.891 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862234246 886233211 /nfs/dbraw/zinc/23/32/11/886233211.db2.gz JFRJSKGNGCNXIQ-ZDUSSCGKSA-N 0 1 399.329 3.891 20 10 GHCDMN CN(C)c1cc(F)c(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1F ZINC000862371616 886333588 /nfs/dbraw/zinc/33/35/88/886333588.db2.gz KKYKZCOPFHLODY-OAQYLSRUSA-N 0 1 378.438 3.597 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485329 886406507 /nfs/dbraw/zinc/40/65/07/886406507.db2.gz KSCWDTBLVVDZFC-JSGCOSHPSA-N 0 1 384.314 3.954 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120885576 886533988 /nfs/dbraw/zinc/53/39/88/886533988.db2.gz WVKRLWMRRCMJJZ-UHFFFAOYSA-N 0 1 387.281 3.577 20 10 GHCDMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000174804735 887080984 /nfs/dbraw/zinc/08/09/84/887080984.db2.gz VHXOXZXPYCVYCV-UHFFFAOYSA-N 0 1 391.397 3.546 20 10 GHCDMN Oc1cc(Br)ccc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000825562750 887143762 /nfs/dbraw/zinc/14/37/62/887143762.db2.gz PDNCCWKXDVFVRY-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2ccncc2OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000809689842 887666400 /nfs/dbraw/zinc/66/64/00/887666400.db2.gz WNBSGIPCKIUSQG-UHFFFAOYSA-N 0 1 395.415 3.573 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000809713623 887732638 /nfs/dbraw/zinc/73/26/38/887732638.db2.gz VASWWEOHZPZQNL-UHFFFAOYSA-N 0 1 376.279 3.963 20 10 GHCDMN Cc1ccc(O)c(CN(CCn2ccnc2)Cc2ccc(Br)o2)c1 ZINC000809753292 887792815 /nfs/dbraw/zinc/79/28/15/887792815.db2.gz PLWUNUUKUSSQKX-UHFFFAOYSA-N 0 1 390.281 3.955 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218522 888296170 /nfs/dbraw/zinc/29/61/70/888296170.db2.gz AVOMEJLGIBSCIR-RHSMWYFYSA-N 0 1 382.430 3.854 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227229 888302845 /nfs/dbraw/zinc/30/28/45/888302845.db2.gz USYBMEHNHGCMOT-IPYPFGDCSA-N 0 1 379.444 3.808 20 10 GHCDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000811700329 889906208 /nfs/dbraw/zinc/90/62/08/889906208.db2.gz JBWZBJCUYFQDGY-UHFFFAOYSA-N 0 1 385.869 3.780 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099953 890244499 /nfs/dbraw/zinc/24/44/99/890244499.db2.gz NFAKGNDTBJKYKN-KDOFPFPSSA-N 0 1 392.471 3.565 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1[O-] ZINC000795099953 890244512 /nfs/dbraw/zinc/24/45/12/890244512.db2.gz NFAKGNDTBJKYKN-KDOFPFPSSA-N 0 1 392.471 3.565 20 10 GHCDMN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(F)cc1O ZINC000123639119 890826874 /nfs/dbraw/zinc/82/68/74/890826874.db2.gz HFANMALHKQACOH-UHFFFAOYSA-N 0 1 380.366 3.532 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000917088139 891068737 /nfs/dbraw/zinc/06/87/37/891068737.db2.gz PTCCAJITKZUWHN-VQQMMKBISA-N 0 1 387.568 3.537 20 10 GHCDMN COc1ccc(N2CCCN(CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000917089946 891081088 /nfs/dbraw/zinc/08/10/88/891081088.db2.gz QBRYSVJDGKRJLJ-FQEVSTJZSA-N 0 1 395.547 3.702 20 10 GHCDMN Cc1noc(-c2ccccc2C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000813682629 891873090 /nfs/dbraw/zinc/87/30/90/891873090.db2.gz FOXOHMBTBBHCKR-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685811 891876999 /nfs/dbraw/zinc/87/69/99/891876999.db2.gz SVGFXCUIMKEITJ-AWEZNQCLSA-N 0 1 387.307 3.742 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(c2ccccc2F)C1 ZINC000813855577 892026200 /nfs/dbraw/zinc/02/62/00/892026200.db2.gz QGHQGVJNXWKWBQ-ZDUSSCGKSA-N 0 1 398.265 3.916 20 10 GHCDMN OC[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825784641 892565171 /nfs/dbraw/zinc/56/51/71/892565171.db2.gz KDYGGRJRJHEDLE-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000825784641 892565180 /nfs/dbraw/zinc/56/51/80/892565180.db2.gz KDYGGRJRJHEDLE-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000825784641 892565194 /nfs/dbraw/zinc/56/51/94/892565194.db2.gz KDYGGRJRJHEDLE-IBGZPJMESA-N 0 1 376.294 3.681 20 10 GHCDMN c1cc(CNCc2ccc(N3CCCCC3)cc2)c(OC[C@H]2CCOC2)cn1 ZINC000288413107 913759532 /nfs/dbraw/zinc/75/95/32/913759532.db2.gz JARUYWOIPBQJJR-FQEVSTJZSA-N 0 1 381.520 3.777 20 10 GHCDMN Fc1ccc2ccc(CNCc3ccc(N4CCOCC4)c(F)c3)nc2c1F ZINC000876945656 893397965 /nfs/dbraw/zinc/39/79/65/893397965.db2.gz IJWNUKRGVHKKIV-UHFFFAOYSA-N 0 1 387.405 3.779 20 10 GHCDMN Cc1cc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccc1N(C)C ZINC000815099570 893470778 /nfs/dbraw/zinc/47/07/78/893470778.db2.gz APCZGZKHOPXHDC-UHFFFAOYSA-N 0 1 399.486 3.644 20 10 GHCDMN Cc1cc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)ccc1N(C)C ZINC000815099570 893470783 /nfs/dbraw/zinc/47/07/83/893470783.db2.gz APCZGZKHOPXHDC-UHFFFAOYSA-N 0 1 399.486 3.644 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCc2cnoc2)C1 ZINC000816232174 894634620 /nfs/dbraw/zinc/63/46/20/894634620.db2.gz IVHOGXPZFNLXQE-UHFFFAOYSA-N 0 1 381.476 3.572 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCc2cnoc2)C1 ZINC000816232174 894634630 /nfs/dbraw/zinc/63/46/30/894634630.db2.gz IVHOGXPZFNLXQE-UHFFFAOYSA-N 0 1 381.476 3.572 20 10 GHCDMN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548122 894916228 /nfs/dbraw/zinc/91/62/28/894916228.db2.gz VPCLFMYYPLXMGF-UHFFFAOYSA-N 0 1 398.528 3.663 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc2ccccc12 ZINC000816552769 894938280 /nfs/dbraw/zinc/93/82/80/894938280.db2.gz VWOVIDDOLOBCPU-GOSISDBHSA-N 0 1 385.847 3.793 20 10 GHCDMN CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000816567528 894948671 /nfs/dbraw/zinc/94/86/71/894948671.db2.gz DIBCXSQRIYRDPT-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000816567528 894948680 /nfs/dbraw/zinc/94/86/80/894948680.db2.gz DIBCXSQRIYRDPT-UHFFFAOYSA-N 0 1 378.875 3.926 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000816659618 895005069 /nfs/dbraw/zinc/00/50/69/895005069.db2.gz UUMIJJLHNUMJGT-HNNXBMFYSA-N 0 1 378.812 3.616 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000816659618 895005081 /nfs/dbraw/zinc/00/50/81/895005081.db2.gz UUMIJJLHNUMJGT-HNNXBMFYSA-N 0 1 378.812 3.616 20 10 GHCDMN Cc1cc(C(=O)NCCCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000302946853 914102181 /nfs/dbraw/zinc/10/21/81/914102181.db2.gz BHROQGVODSWBGK-UHFFFAOYSA-N 0 1 389.927 3.590 20 10 GHCDMN Cc1nc(C2(NCc3cc(Br)cc(F)c3O)CCCCC2)no1 ZINC000882951164 897141158 /nfs/dbraw/zinc/14/11/58/897141158.db2.gz RHTCJCSFVLYFJW-UHFFFAOYSA-N 0 1 384.249 3.934 20 10 GHCDMN COC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cccc(OC)c1 ZINC000821208679 897789551 /nfs/dbraw/zinc/78/95/51/897789551.db2.gz ALLAHUBKLLIDFL-MRXNPFEDSA-N 0 1 399.274 3.895 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774960937 914220334 /nfs/dbraw/zinc/22/03/34/914220334.db2.gz JUGCRPPDDQCSPE-UHFFFAOYSA-N 0 1 399.378 3.925 20 10 GHCDMN Cn1cc([C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])CC23CCOCC3)cn1 ZINC000824715843 899782821 /nfs/dbraw/zinc/78/28/21/899782821.db2.gz OXONJOLLFAMZJH-NRFANRHFSA-N 0 1 377.488 3.675 20 10 GHCDMN Cn1cc([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])CC23CCOCC3)cn1 ZINC000824715843 899782830 /nfs/dbraw/zinc/78/28/30/899782830.db2.gz OXONJOLLFAMZJH-NRFANRHFSA-N 0 1 377.488 3.675 20 10 GHCDMN O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825063753 899959249 /nfs/dbraw/zinc/95/92/49/899959249.db2.gz FITLGHXEANLHJM-UHFFFAOYSA-N 0 1 375.266 3.571 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124184 899994052 /nfs/dbraw/zinc/99/40/52/899994052.db2.gz JSNZQHKOPFLFGE-LPHOPBHVSA-N 0 1 381.394 3.716 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000825138845 900000356 /nfs/dbraw/zinc/00/03/56/900000356.db2.gz ZFCICYCEDRAJPH-ZDUSSCGKSA-N 0 1 379.273 3.910 20 10 GHCDMN COC(=O)CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825215663 900030860 /nfs/dbraw/zinc/03/08/60/900030860.db2.gz TZYBKQIRFMMWAC-INIZCTEOSA-N 0 1 378.266 3.939 20 10 GHCDMN CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000825282910 900068820 /nfs/dbraw/zinc/06/88/20/900068820.db2.gz APJUDHKBIVIHGL-GOSISDBHSA-N 0 1 380.282 3.765 20 10 GHCDMN C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844212907 900606997 /nfs/dbraw/zinc/60/69/97/900606997.db2.gz PNEMZNGAEAAXTG-SYJIQKIWSA-N 0 1 395.459 3.651 20 10 GHCDMN COC(=O)c1cccc2c1CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144306858 901687528 /nfs/dbraw/zinc/68/75/28/901687528.db2.gz UOJKDTMFRLXVHS-UHFFFAOYSA-N 0 1 380.213 3.596 20 10 GHCDMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc(Cl)n1 ZINC000779002268 902697132 /nfs/dbraw/zinc/69/71/32/902697132.db2.gz WZYNTAALIFZZMI-MRXNPFEDSA-N 0 1 394.302 3.797 20 10 GHCDMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000846181608 902770118 /nfs/dbraw/zinc/77/01/18/902770118.db2.gz COEAMQCHEKRIGJ-VFCRVFHLSA-N 0 1 376.447 3.574 20 10 GHCDMN C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cc(Br)ccc1[O-] ZINC000779083105 904039872 /nfs/dbraw/zinc/03/98/72/904039872.db2.gz VBJIVIYYGXAWOQ-GFCCVEGCSA-N 0 1 375.266 3.977 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)S[C@@H](C)C2)C1 ZINC001148589504 904130773 /nfs/dbraw/zinc/13/07/73/904130773.db2.gz ZNRKJFPFORSIRF-CALCHBBNSA-N 0 1 385.577 3.760 20 10 GHCDMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773045909 904398106 /nfs/dbraw/zinc/39/81/06/904398106.db2.gz KAFYYBZBIPQDET-RDTXWAMCSA-N 0 1 380.941 3.931 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000773313193 904707191 /nfs/dbraw/zinc/70/71/91/904707191.db2.gz FKWGDXPCYKKFIQ-INIZCTEOSA-N 0 1 380.448 3.511 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779162627 904958545 /nfs/dbraw/zinc/95/85/45/904958545.db2.gz OAAQLPNSPTWLQC-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000773411985 907235250 /nfs/dbraw/zinc/23/52/50/907235250.db2.gz BXLYYQDBSPQDGI-OAQYLSRUSA-N 0 1 395.547 3.729 20 10 GHCDMN CCC[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000779544394 907540644 /nfs/dbraw/zinc/54/06/44/907540644.db2.gz MMZPBYXSBIMOFA-ZZLBYYGFSA-N 0 1 380.488 3.624 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC000779557424 907630677 /nfs/dbraw/zinc/63/06/77/907630677.db2.gz YZFCCSAKCDHPLU-NRFANRHFSA-N 0 1 385.471 3.926 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001177506010 908606747 /nfs/dbraw/zinc/60/67/47/908606747.db2.gz BWTCYTDLRBZCGG-UHFFFAOYSA-N 0 1 399.560 3.853 20 10 GHCDMN Cc1c(NCc2cc(Cl)cc(Cl)c2O)cccc1S(=O)(=O)N(C)C ZINC001178939633 909326208 /nfs/dbraw/zinc/32/62/08/909326208.db2.gz MRWJSOAGEAUMFV-UHFFFAOYSA-N 0 1 389.304 3.870 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(NC=O)c2)C1 ZINC001179070286 909373752 /nfs/dbraw/zinc/37/37/52/909373752.db2.gz PZSPYIYWYZHXOL-UHFFFAOYSA-N 0 1 390.487 3.615 20 10 GHCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001180165843 910002842 /nfs/dbraw/zinc/00/28/42/910002842.db2.gz KGZKDMITDGJIJL-AWEZNQCLSA-N 0 1 391.336 3.561 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1n1ccnc1 ZINC000246409137 910287258 /nfs/dbraw/zinc/28/72/58/910287258.db2.gz BYASHBCXIJZDND-OXQOHEQNSA-N 0 1 391.471 3.608 20 10 GHCDMN COc1ncc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000284385284 911848268 /nfs/dbraw/zinc/84/82/68/911848268.db2.gz OWWCWZBKIUFPIX-ZDUSSCGKSA-N 0 1 379.863 3.570 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCOCC2 ZINC001182684519 911966569 /nfs/dbraw/zinc/96/65/69/911966569.db2.gz MKVOBSGXXBNCBN-SJORKVTESA-N 0 1 396.915 3.598 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000775191677 916143305 /nfs/dbraw/zinc/14/33/05/916143305.db2.gz IDOYFXJEXWITOJ-UHFFFAOYSA-N 0 1 390.321 3.972 20 10 GHCDMN C[C@@H](NCc1ccc(Oc2ccccc2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000775259638 916698039 /nfs/dbraw/zinc/69/80/39/916698039.db2.gz JYRMNJPHLWPXDT-GOSISDBHSA-N 0 1 390.487 3.956 20 10 GHCDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775292377 916841365 /nfs/dbraw/zinc/84/13/65/916841365.db2.gz YXRJBOLZBDMCTN-UHFFFAOYSA-N 0 1 384.841 3.988 20 10 GHCDMN COc1cc(Br)cc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000362336348 917215217 /nfs/dbraw/zinc/21/52/17/917215217.db2.gz ONJNCGHWLPFFSP-OAHLLOKOSA-N 0 1 380.286 3.542 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)N1CC[C@H]2CCCC[C@H]2C1 ZINC001190974817 917677375 /nfs/dbraw/zinc/67/73/75/917677375.db2.gz BVTVQJRCYVTWTD-NEPJUHHUSA-N 0 1 393.336 3.546 20 10 GHCDMN CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000775484739 918233767 /nfs/dbraw/zinc/23/37/67/918233767.db2.gz IHXKIZOYZBHCEM-JKIFEVAISA-N 0 1 385.346 3.695 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000775489136 918258797 /nfs/dbraw/zinc/25/87/97/918258797.db2.gz NIGNGNCNMOVMDB-PBHICJAKSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775491592 918311413 /nfs/dbraw/zinc/31/14/13/918311413.db2.gz FILZPGSZZXCCCN-INIZCTEOSA-N 0 1 393.915 3.731 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837083 918313786 /nfs/dbraw/zinc/31/37/86/918313786.db2.gz BIIUTKJADZEJCP-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837083 918313799 /nfs/dbraw/zinc/31/37/99/918313799.db2.gz BIIUTKJADZEJCP-MRXNPFEDSA-N 0 1 376.806 3.565 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@H+]2Cc1c([O-])cccc1Cl ZINC001275837878 918331911 /nfs/dbraw/zinc/33/19/11/918331911.db2.gz OTAZVHLSCBQLQP-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN O=C1C[C@]2(CN1CCC(F)(F)F)CCCC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001275837878 918331925 /nfs/dbraw/zinc/33/19/25/918331925.db2.gz OTAZVHLSCBQLQP-KRWDZBQOSA-N 0 1 390.833 3.955 20 10 GHCDMN CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000775501310 918417038 /nfs/dbraw/zinc/41/70/38/918417038.db2.gz GXELNXFTSBMXLR-KRWDZBQOSA-N 0 1 383.897 3.569 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000113328270 919366214 /nfs/dbraw/zinc/36/62/14/919366214.db2.gz WDDCUIKDAMHXQR-UHFFFAOYSA-N 0 1 375.852 3.612 20 10 GHCDMN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000800519547 920239029 /nfs/dbraw/zinc/23/90/29/920239029.db2.gz RPFBWWJOKZTASS-SECBINFHSA-N 0 1 390.237 3.531 20 10 GHCDMN C[C@H](C(=O)NC(=O)Nc1ccccc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000800709364 920381950 /nfs/dbraw/zinc/38/19/50/920381950.db2.gz DHDFCZDXSSBCIN-GOSISDBHSA-N 0 1 394.519 3.846 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(CC2CCC2)c1 ZINC000903183668 922839617 /nfs/dbraw/zinc/83/96/17/922839617.db2.gz PSJVSTQLWYTTQH-HNNXBMFYSA-N 0 1 390.478 3.649 20 10 GHCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077590 925245276 /nfs/dbraw/zinc/24/52/76/925245276.db2.gz FKUNHUKJNNZOEB-AUUYWEPGSA-N 0 1 395.341 3.910 20 10 GHCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077590 925245286 /nfs/dbraw/zinc/24/52/86/925245286.db2.gz FKUNHUKJNNZOEB-AUUYWEPGSA-N 0 1 395.341 3.910 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cnc2ccccc2c1 ZINC001137438091 925788600 /nfs/dbraw/zinc/78/86/00/925788600.db2.gz HIPCCLQOUYATJK-IBGZPJMESA-N 0 1 395.890 3.988 20 10 GHCDMN Cc1cc(C(=O)CN(C[C@H]2CCOC2)C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749834564 927304371 /nfs/dbraw/zinc/30/43/71/927304371.db2.gz CDGBVFWVCYPHEV-QGZVFWFLSA-N 0 1 396.487 3.506 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(Cl)cs3)cc2F)CC1 ZINC000757932650 929859813 /nfs/dbraw/zinc/85/98/13/929859813.db2.gz ODIXJKFMUSLQFE-UHFFFAOYSA-N 0 1 381.904 3.613 20 10 GHCDMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781904985 931021850 /nfs/dbraw/zinc/02/18/50/931021850.db2.gz KWWFQUOVUFQLAR-AWEZNQCLSA-N 0 1 383.330 3.591 20 10 GHCDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncc1Br ZINC000777515562 931311612 /nfs/dbraw/zinc/31/16/12/931311612.db2.gz VDOHBFRBXFLIGY-UHFFFAOYSA-N 0 1 375.314 3.516 20 10 GHCDMN CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000784545432 931931542 /nfs/dbraw/zinc/93/15/42/931931542.db2.gz NJDFGUBLGOLNOC-UHFFFAOYSA-N 0 1 395.547 3.964 20 10 GHCDMN CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000784551361 931933699 /nfs/dbraw/zinc/93/36/99/931933699.db2.gz XJDQAJPHKSDWST-UHFFFAOYSA-N 0 1 381.520 3.656 20 10 GHCDMN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ccc1[O-] ZINC000797104231 932184414 /nfs/dbraw/zinc/18/44/14/932184414.db2.gz XVROXNICSWLZQU-CQSZACIVSA-N 0 1 390.343 3.553 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CN[C@H]3CCCc4c(Cl)ccnc43)cc2)CC1 ZINC000926873654 932332334 /nfs/dbraw/zinc/33/23/34/932332334.db2.gz NFAYAWDVSNIANC-FQEVSTJZSA-N 0 1 398.938 3.604 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000797606143 932341753 /nfs/dbraw/zinc/34/17/53/932341753.db2.gz ZYQPGLOAKDXNLZ-QWQRMKEZSA-N 0 1 384.314 3.622 20 10 GHCDMN Cc1cc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n[nH]1 ZINC000799931787 933175638 /nfs/dbraw/zinc/17/56/38/933175638.db2.gz CLAOJAWOASCDNG-ZDUSSCGKSA-N 0 1 375.904 3.607 20 10 GHCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(F)c1)C2 ZINC001137836005 935815168 /nfs/dbraw/zinc/81/51/68/935815168.db2.gz SBHCEGNGWAZAPB-QFIPXVFZSA-N 0 1 388.458 3.789 20 10 GHCDMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001138047729 935951931 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Fc1cc(CNCc2cnc(-c3ccccc3)nc2)cc(F)c1N1CCOCC1 ZINC000839146433 1025642244 /nfs/dbraw/zinc/64/22/44/1025642244.db2.gz HJLKLNJEDGWMBX-UHFFFAOYSA-N 0 1 396.441 3.548 20 10 GHCDMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc(N=NC(N)=O)cc3)sc2C1 ZINC001162510800 1025775003 /nfs/dbraw/zinc/77/50/03/1025775003.db2.gz PAXQOHJSQFVRSO-UHFFFAOYSA-N 0 1 386.481 3.714 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001139129408 1025941133 /nfs/dbraw/zinc/94/11/33/1025941133.db2.gz YTHJHVNKVXYMNO-UHFFFAOYSA-N 0 1 379.456 3.988 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001139130319 1025943820 /nfs/dbraw/zinc/94/38/20/1025943820.db2.gz XYLPBHUIKVDEBJ-GOSISDBHSA-N 0 1 392.446 3.503 20 10 GHCDMN C[C@H]1CN(c2ccc(CNCc3cc(F)ccc3N(C)C)cc2F)C[C@H](C)O1 ZINC001461067897 1069373684 /nfs/dbraw/zinc/37/36/84/1069373684.db2.gz RMLWPBUHGASSAA-HOTGVXAUSA-N 0 1 389.490 3.934 20 10 GHCDMN COC[C@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001139681590 1026536389 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CCOC(=O)C1(C(C)C)CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC001140104025 1026885187 /nfs/dbraw/zinc/88/51/87/1026885187.db2.gz ZVOXOBGXDABPDL-UHFFFAOYSA-N 0 1 384.314 3.956 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001203568252 1027438560 /nfs/dbraw/zinc/43/85/60/1027438560.db2.gz HARNGLWJFBTNAM-AWEZNQCLSA-N 0 1 391.103 3.672 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001203568252 1027438570 /nfs/dbraw/zinc/43/85/70/1027438570.db2.gz HARNGLWJFBTNAM-AWEZNQCLSA-N 0 1 391.103 3.672 20 10 GHCDMN CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568258 1027438606 /nfs/dbraw/zinc/43/86/06/1027438606.db2.gz HIUCWTKEOLIJRY-LBPRGKRZSA-N 0 1 393.119 3.917 20 10 GHCDMN O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203575298 1027443137 /nfs/dbraw/zinc/44/31/37/1027443137.db2.gz JNYDARJCXHIFTO-LJQANCHMSA-N 0 1 392.286 3.723 20 10 GHCDMN O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203579236 1027447618 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ZINC001327877823 1050310088 /nfs/dbraw/zinc/31/00/88/1050310088.db2.gz GIMXBIQUNXLLGS-UHFFFAOYSA-N 0 1 375.266 3.793 20 10 GHCDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001311546205 1052235628 /nfs/dbraw/zinc/23/56/28/1052235628.db2.gz TXAUSCAAKNPHEY-HSZRJFAPSA-N 0 1 394.563 3.805 20 10 GHCDMN CC(C)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC001312587011 1052801089 /nfs/dbraw/zinc/80/10/89/1052801089.db2.gz VMFARLMSDNKXAJ-QGZVFWFLSA-N 0 1 392.975 3.812 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000761194735 1053055725 /nfs/dbraw/zinc/05/57/25/1053055725.db2.gz GZOKDKHIRLZCNG-HNNXBMFYSA-N 0 1 384.904 3.933 20 10 GHCDMN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc2cncn21 ZINC001320692689 1055930292 /nfs/dbraw/zinc/93/02/92/1055930292.db2.gz ZHCDCTBBJKMOTO-NRFANRHFSA-N 0 1 392.503 3.530 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cscc3Cl)cc2F)CC1 ZINC001435072561 1062271843 /nfs/dbraw/zinc/27/18/43/1062271843.db2.gz BUXKHDSEBMGSSL-UHFFFAOYSA-N 0 1 381.904 3.613 20 10 GHCDMN Cc1cc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)c(C)n1-c1cccc(C)c1 ZINC001455784630 1062290632 /nfs/dbraw/zinc/29/06/32/1062290632.db2.gz UFYGUBHMCSPCNJ-LEWJYISDSA-N 0 1 383.561 3.712 20 10 GHCDMN COc1ccc(N2CCN(CCNc3nc4cccc(C)c4s3)CC2)cc1 ZINC001458136631 1063593107 /nfs/dbraw/zinc/59/31/07/1063593107.db2.gz KIAVRMPMWFKSOW-UHFFFAOYSA-N 0 1 382.533 3.847 20 10 GHCDMN CCc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccc1O ZINC001465951079 1065935076 /nfs/dbraw/zinc/93/50/76/1065935076.db2.gz IFFXZXQCKLIUBB-SFHVURJKSA-N 0 1 388.895 3.708 20 10 GHCDMN CCc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1O ZINC001465951079 1065935080 /nfs/dbraw/zinc/93/50/80/1065935080.db2.gz IFFXZXQCKLIUBB-SFHVURJKSA-N 0 1 388.895 3.708 20 10 GHCDMN COc1cccc(O)c1CN1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 ZINC000849478668 1067859237 /nfs/dbraw/zinc/85/92/37/1067859237.db2.gz IHOHKKLQNOGVEI-OAQYLSRUSA-N 0 1 385.508 3.607 20 10 GHCDMN COc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1 ZINC000849479919 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3.533 20 10 GHCDMN CCc1c[nH]c2ncnc(N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4[O-])C3)c12 ZINC001472688320 1073620152 /nfs/dbraw/zinc/62/01/52/1073620152.db2.gz UHFLXJBERYXZFV-INIZCTEOSA-N 0 1 385.899 3.956 20 10 GHCDMN CCc1c[nH]c2ncnc(N[C@H]3CCC[N@@H+](Cc4cc(Cl)ccc4[O-])C3)c12 ZINC001472688320 1073620154 /nfs/dbraw/zinc/62/01/54/1073620154.db2.gz UHFLXJBERYXZFV-INIZCTEOSA-N 0 1 385.899 3.956 20 10 GHCDMN Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001479185399 1079141420 /nfs/dbraw/zinc/14/14/20/1079141420.db2.gz IQEBDRVHOSCINC-LJQANCHMSA-N 0 1 380.536 3.649 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccc(C(=O)OC(C)C)cc3)CC2)cc1 ZINC001473297199 1073910400 /nfs/dbraw/zinc/91/04/00/1073910400.db2.gz WZZRPCYRXFSLHI-UHFFFAOYSA-N 0 1 382.504 3.973 20 10 GHCDMN CN(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Br)c1c(F)cccc1F ZINC001474010194 1074234668 /nfs/dbraw/zinc/23/46/68/1074234668.db2.gz MYFLKESNIKMZTJ-HNNXBMFYSA-N 0 1 385.252 3.825 20 10 GHCDMN C[C@@](CO)(NCc1ccc2c(c1)CCCO2)c1cccc(Br)c1 ZINC001474291872 1074327877 /nfs/dbraw/zinc/32/78/77/1074327877.db2.gz NJZIDICKFWWFAA-IBGZPJMESA-N 0 1 376.294 3.771 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474313614 1074336415 /nfs/dbraw/zinc/33/64/15/1074336415.db2.gz CVKNYLNKCJMLJS-ZDUSSCGKSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474313614 1074336419 /nfs/dbraw/zinc/33/64/19/1074336419.db2.gz CVKNYLNKCJMLJS-ZDUSSCGKSA-N 0 1 378.822 3.668 20 10 GHCDMN CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001474406826 1074391178 /nfs/dbraw/zinc/39/11/78/1074391178.db2.gz GDKCRLLXAMWRCF-UHFFFAOYSA-N 0 1 390.531 3.525 20 10 GHCDMN COc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001474616330 1074486592 /nfs/dbraw/zinc/48/65/92/1074486592.db2.gz MOLNEPAFQFJXLP-QGZVFWFLSA-N 0 1 386.448 3.915 20 10 GHCDMN Cn1ccnc1C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC001474640371 1074494737 /nfs/dbraw/zinc/49/47/37/1074494737.db2.gz FZDYLDNTRRRAAP-KRWDZBQOSA-N 0 1 386.293 3.962 20 10 GHCDMN C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000828303114 600827986 /nfs/dbraw/zinc/82/79/86/600827986.db2.gz LIPYVEFCDNXTDS-SYJIQKIWSA-N 0 1 395.459 3.793 20 10 GHCDMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000832959851 601596278 /nfs/dbraw/zinc/59/62/78/601596278.db2.gz AYUYUFIFWMANBS-UHFFFAOYSA-N 0 1 398.503 3.541 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)CC1 ZINC000255712741 835664399 /nfs/dbraw/zinc/66/43/99/835664399.db2.gz NAZFFNSAJCRLKH-GXDHUFHOSA-N 0 1 397.363 3.745 20 10 GHCDMN O=C(NCCN1CCCCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255911698 837276977 /nfs/dbraw/zinc/27/69/77/837276977.db2.gz MCHQVYVMZRTXMT-UHFFFAOYSA-N 0 1 379.464 3.643 20 10 GHCDMN COC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000311434891 838421356 /nfs/dbraw/zinc/42/13/56/838421356.db2.gz SNUAPGZBSQZTHI-IBGZPJMESA-N 0 1 384.904 3.551 20 10 GHCDMN CN1CCN(c2ccc(CNc3cncc(Oc4ccccc4)n3)cc2)CC1 ZINC001167426813 839930191 /nfs/dbraw/zinc/93/01/91/839930191.db2.gz LFDMAONBOUTDNH-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN COc1cc(N2CCN(CCCc3ccsc3)CC2)cc(OC)c1OC ZINC000759886772 840346197 /nfs/dbraw/zinc/34/61/97/840346197.db2.gz RDPAHXXJVPNXRX-UHFFFAOYSA-N 0 1 376.522 3.529 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000053772832 840702861 /nfs/dbraw/zinc/70/28/61/840702861.db2.gz SQPVGBOXPQPOIY-QZTJIDSGSA-N 0 1 399.510 3.612 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)CC1 ZINC000255315510 841546658 /nfs/dbraw/zinc/54/66/58/841546658.db2.gz KSVPUYBUZVEKRX-GXDHUFHOSA-N 0 1 397.363 3.745 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cc(Br)ccc1[O-] ZINC000279089967 842575229 /nfs/dbraw/zinc/57/52/29/842575229.db2.gz NHHMWILMTJKZPQ-OAHLLOKOSA-N 0 1 378.270 3.749 20 10 GHCDMN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000471892377 843296369 /nfs/dbraw/zinc/29/63/69/843296369.db2.gz HWMNQOBIYHFUJT-UHFFFAOYSA-N 0 1 382.483 3.687 20 10 GHCDMN CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141375117 843322893 /nfs/dbraw/zinc/32/28/93/843322893.db2.gz XJSQZQKVIQCAEP-INIZCTEOSA-N 0 1 390.705 3.973 20 10 GHCDMN CC(C)C[C@@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001126268134 843475038 /nfs/dbraw/zinc/47/50/38/843475038.db2.gz PSTWHXWIVQGMGX-LJQANCHMSA-N 0 1 397.563 3.681 20 10 GHCDMN CCOc1ccc(O)c(CNCc2cc(OC)c(OC)cc2Br)c1 ZINC000105487642 843639552 /nfs/dbraw/zinc/63/95/52/843639552.db2.gz XLJVSFXBQIQIGN-UHFFFAOYSA-N 0 1 396.281 3.860 20 10 GHCDMN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000277183661 845159917 /nfs/dbraw/zinc/15/99/17/845159917.db2.gz HXUIGOQYHKGIIM-HNNXBMFYSA-N 0 1 390.549 3.789 20 10 GHCDMN COCC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000272654228 847136506 /nfs/dbraw/zinc/13/65/06/847136506.db2.gz QHSFENRPTYPWHR-APWZRJJASA-N 0 1 376.472 3.992 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000273798939 847452058 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CCN(CC)c1ccc(CNCC(=O)Nc2cccc3cccnc32)cc1F ZINC000740003957 865823982 /nfs/dbraw/zinc/82/39/82/865823982.db2.gz FFMADAZWEUHCNY-UHFFFAOYSA-N 0 1 380.467 3.948 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(F)c3)cc2F)CC1 ZINC000741927488 866912520 /nfs/dbraw/zinc/91/25/20/866912520.db2.gz PGRZLZDMUJMCDK-INIZCTEOSA-N 0 1 387.474 3.527 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2ccnn2CCc2ccccc2)c(C)c(C)c1O ZINC000857226002 882128214 /nfs/dbraw/zinc/12/82/14/882128214.db2.gz XJFBPAIMOZZUJC-UHFFFAOYSA-N 0 1 385.489 3.557 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000743870895 868468334 /nfs/dbraw/zinc/46/83/34/868468334.db2.gz GIMBHQPCCDZOHT-MRXNPFEDSA-N 0 1 386.236 3.988 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000743870895 868468341 /nfs/dbraw/zinc/46/83/41/868468341.db2.gz GIMBHQPCCDZOHT-MRXNPFEDSA-N 0 1 386.236 3.988 20 10 GHCDMN CC(C)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nc1 ZINC000857472879 882286944 /nfs/dbraw/zinc/28/69/44/882286944.db2.gz PEMBZDOYCPJYST-GOSISDBHSA-N 0 1 387.911 3.958 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000775523776 870311508 /nfs/dbraw/zinc/31/15/08/870311508.db2.gz MFLVTEGGGDMKRX-JKSUJKDBSA-N 0 1 380.282 3.938 20 10 GHCDMN CCOc1ccc(N2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC001192412567 870382784 /nfs/dbraw/zinc/38/27/84/870382784.db2.gz KGYLSCDISKZSEZ-UHFFFAOYSA-N 0 1 387.911 3.890 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000181496454 871092076 /nfs/dbraw/zinc/09/20/76/871092076.db2.gz AQNWWAFAIVXWGS-SFHVURJKSA-N 0 1 396.539 3.618 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Oc3ccc4ccccc4c3)cc2)CC1 ZINC001194664496 871878037 /nfs/dbraw/zinc/87/80/37/871878037.db2.gz LTPRWEKGBFHAHY-UHFFFAOYSA-N 0 1 375.472 3.880 20 10 GHCDMN O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650013 872352242 /nfs/dbraw/zinc/35/22/42/872352242.db2.gz WUJLLCDCFFKCDO-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650013 872352255 /nfs/dbraw/zinc/35/22/55/872352255.db2.gz WUJLLCDCFFKCDO-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN O=C(c1ccccc1F)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775650013 872352275 /nfs/dbraw/zinc/35/22/75/872352275.db2.gz WUJLLCDCFFKCDO-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000767766286 872820753 /nfs/dbraw/zinc/82/07/53/872820753.db2.gz RTEBJNCNPGMCGI-HTAPYJJXSA-N 0 1 388.552 3.828 20 10 GHCDMN Cc1csc(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000768081387 873053432 /nfs/dbraw/zinc/05/34/32/873053432.db2.gz QGBAFSZQGUANJQ-INIZCTEOSA-N 0 1 393.940 3.524 20 10 GHCDMN CNC(=O)c1ccc(C[N@@H+](Cc2cccc(Br)c2[O-])C2CC2)cc1 ZINC000768424258 873297180 /nfs/dbraw/zinc/29/71/80/873297180.db2.gz ZJEHEDLSYBBHGM-UHFFFAOYSA-N 0 1 389.293 3.679 20 10 GHCDMN CCOc1cccc(CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1O ZINC000768869271 873632273 /nfs/dbraw/zinc/63/22/73/873632273.db2.gz SPHDHRIIBGVMAJ-UHFFFAOYSA-N 0 1 389.565 3.863 20 10 GHCDMN COc1cccc(OC)c1OC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768910525 873677263 /nfs/dbraw/zinc/67/72/63/873677263.db2.gz SAUZLKSIRZNBFM-UHFFFAOYSA-N 0 1 388.483 3.952 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910823 873678715 /nfs/dbraw/zinc/67/87/15/873678715.db2.gz AEMGOLSVGSQULA-GPCFVJJQSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910823 873678724 /nfs/dbraw/zinc/67/87/24/873678724.db2.gz AEMGOLSVGSQULA-GPCFVJJQSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910823 873678727 /nfs/dbraw/zinc/67/87/27/873678727.db2.gz AEMGOLSVGSQULA-GPCFVJJQSA-N 0 1 376.909 3.901 20 10 GHCDMN Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000768915851 873686105 /nfs/dbraw/zinc/68/61/05/873686105.db2.gz NKSDLGGVNJLZOV-INIZCTEOSA-N 0 1 378.925 3.739 20 10 GHCDMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833448 874302959 /nfs/dbraw/zinc/30/29/59/874302959.db2.gz JCWLMMDRPTXHTH-CQSZACIVSA-N 0 1 389.521 3.589 20 10 GHCDMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000770291862 874580410 /nfs/dbraw/zinc/58/04/10/874580410.db2.gz NDTHWUQEJQKLLX-XLIONFOSSA-N 0 1 390.524 3.812 20 10 GHCDMN CCOc1ccnc(N2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000770327382 874601771 /nfs/dbraw/zinc/60/17/71/874601771.db2.gz SUFZLNDUVDCALM-UHFFFAOYSA-N 0 1 397.306 3.600 20 10 GHCDMN COc1ccccc1N1CC[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858118896 882859479 /nfs/dbraw/zinc/85/94/79/882859479.db2.gz JQZDVZMNRKVNSQ-CQSZACIVSA-N 0 1 391.309 3.779 20 10 GHCDMN COc1ccccc1[C@H](NCc1cc(Cl)cc(F)c1O)c1nccn1C ZINC001199127159 874813167 /nfs/dbraw/zinc/81/31/67/874813167.db2.gz QKKOXHNWFQCPAM-KRWDZBQOSA-N 0 1 375.831 3.806 20 10 GHCDMN COCCCOc1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858162693 882900119 /nfs/dbraw/zinc/90/01/19/882900119.db2.gz KOHPIKJUXGCJKS-UHFFFAOYSA-N 0 1 380.282 3.860 20 10 GHCDMN Cc1cc(C[NH2+]Cc2c([O-])cccc2Br)cc(N2CCCC2)n1 ZINC000858166000 882903554 /nfs/dbraw/zinc/90/35/54/882903554.db2.gz WDOWMASWOKQRKU-UHFFFAOYSA-N 0 1 376.298 3.748 20 10 GHCDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCCNC2=O)cc1 ZINC000858167025 882904727 /nfs/dbraw/zinc/90/47/27/882904727.db2.gz IMTJWFLWIMOGQE-CQSZACIVSA-N 0 1 388.462 3.801 20 10 GHCDMN CCCOc1ccc(CN[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1C ZINC001200960271 875412685 /nfs/dbraw/zinc/41/26/85/875412685.db2.gz GBBCDTFQRYXMLB-OAQYLSRUSA-N 0 1 398.503 3.696 20 10 GHCDMN CN(C)c1ccc(CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C2CC2)cc1 ZINC000771791326 875462727 /nfs/dbraw/zinc/46/27/27/875462727.db2.gz NDPZDRCCJNCKGB-MRXNPFEDSA-N 0 1 383.458 3.518 20 10 GHCDMN CC(C)N(CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(N(C)C)cc1 ZINC000771792209 875463779 /nfs/dbraw/zinc/46/37/79/875463779.db2.gz XPQOUKDHCAGXOD-UHFFFAOYSA-N 0 1 392.540 3.966 20 10 GHCDMN C[C@H](O)[C@](C)(C[NH2+]Cc1c([O-])cccc1Br)Cc1ccccc1 ZINC001202289753 876109705 /nfs/dbraw/zinc/10/97/05/876109705.db2.gz VIXPGUQPTORWGY-LIRRHRJNSA-N 0 1 378.310 3.874 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3c(C)cccc3C)cc2F)CC1 ZINC000106584829 876153276 /nfs/dbraw/zinc/15/32/76/876153276.db2.gz RADMZHHVANZDKK-UHFFFAOYSA-N 0 1 384.499 3.906 20 10 GHCDMN Fc1ccc(OC(F)F)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000850034028 876617698 /nfs/dbraw/zinc/61/76/98/876617698.db2.gz GNPRYLKRSFEUML-UHFFFAOYSA-N 0 1 384.373 3.693 20 10 GHCDMN CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1[O-] ZINC000850562870 877028535 /nfs/dbraw/zinc/02/85/35/877028535.db2.gz PRTAESISZDTWLU-YJBOKZPZSA-N 0 1 386.330 3.763 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000787684972 877555708 /nfs/dbraw/zinc/55/57/08/877555708.db2.gz CBRWURKNNCENOP-RBUKOAKNSA-N 0 1 378.394 3.547 20 10 GHCDMN CN(C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)C(=O)OC(C)(C)C ZINC000179450371 877565924 /nfs/dbraw/zinc/56/59/24/877565924.db2.gz NYEAUCOXBPTNBD-CYBMUJFWSA-N 0 1 399.329 3.844 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C3CC3)C3CCCC3)cc2F)CC1 ZINC000746760305 878277888 /nfs/dbraw/zinc/27/78/88/878277888.db2.gz LMFSMNSHTBSXLB-UHFFFAOYSA-N 0 1 388.531 3.584 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(=O)c1-c1ccccc1 ZINC000853567729 879123539 /nfs/dbraw/zinc/12/35/39/879123539.db2.gz XAECQUVZLNFUMQ-XDHUDOTRSA-N 0 1 391.467 3.942 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccncc43)C2)s1 ZINC000853627992 879184320 /nfs/dbraw/zinc/18/43/20/879184320.db2.gz LCWHKJCJMFPWSJ-AWEZNQCLSA-N 0 1 383.473 3.563 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)s1 ZINC000853627992 879184326 /nfs/dbraw/zinc/18/43/26/879184326.db2.gz LCWHKJCJMFPWSJ-AWEZNQCLSA-N 0 1 383.473 3.563 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3(F)F)C2)C1 ZINC000461275244 879504311 /nfs/dbraw/zinc/50/43/11/879504311.db2.gz DMITVJHSBYBJBJ-UHFFFAOYSA-N 0 1 387.474 3.666 20 10 GHCDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccc(O)c1O ZINC000790910989 880085957 /nfs/dbraw/zinc/08/59/57/880085957.db2.gz BJJZQAVSQGJZGB-UHFFFAOYSA-N 0 1 387.264 3.881 20 10 GHCDMN CO[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1(C)C ZINC000452871775 880137667 /nfs/dbraw/zinc/13/76/67/880137667.db2.gz SJAGIJVRGWIUME-QFIPXVFZSA-N 0 1 397.563 3.681 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1Cl ZINC000805135506 883616867 /nfs/dbraw/zinc/61/68/67/883616867.db2.gz MSYALQNOUHLASJ-UHFFFAOYSA-N 0 1 384.643 3.970 20 10 GHCDMN CCCCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1=O ZINC001275236017 912765478 /nfs/dbraw/zinc/76/54/78/912765478.db2.gz HMJYHHRCTZGBAU-LJQANCHMSA-N 0 1 399.318 3.840 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000806179816 884461298 /nfs/dbraw/zinc/46/12/98/884461298.db2.gz WHZCWGZVMKTXOK-UHFFFAOYSA-N 0 1 394.258 3.913 20 10 GHCDMN CCOC(=O)c1cnc(C)c(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000806381319 884619121 /nfs/dbraw/zinc/61/91/21/884619121.db2.gz YMVZZXZWLYKDPX-UHFFFAOYSA-N 0 1 398.246 3.901 20 10 GHCDMN COC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000806444125 884711730 /nfs/dbraw/zinc/71/17/30/884711730.db2.gz LACAPYZYLUOXNV-UHFFFAOYSA-N 0 1 399.230 3.816 20 10 GHCDMN CC(=O)Nc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806731700 884940646 /nfs/dbraw/zinc/94/06/46/884940646.db2.gz JSWGLVIPWKHSBG-UHFFFAOYSA-N 0 1 396.274 3.699 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1OCCc2ccccc21 ZINC000806797799 884995843 /nfs/dbraw/zinc/99/58/43/884995843.db2.gz ROIIBAPSPBIXGU-MRXNPFEDSA-N 0 1 381.259 3.812 20 10 GHCDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761995272 885129356 /nfs/dbraw/zinc/12/93/56/885129356.db2.gz JLPFQWHJSYMBOH-UHFFFAOYSA-N 0 1 380.422 3.505 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CNC2(c3ccc(F)cc3F)CCCC2)cc1 ZINC001168486821 885495704 /nfs/dbraw/zinc/49/57/04/885495704.db2.gz LHGVTERAWHRPPU-UHFFFAOYSA-N 0 1 387.474 3.706 20 10 GHCDMN CN(C)C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000861641604 885721527 /nfs/dbraw/zinc/72/15/27/885721527.db2.gz UEBRUJLGRPJULJ-GOSISDBHSA-N 0 1 395.334 3.720 20 10 GHCDMN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840557 885768839 /nfs/dbraw/zinc/76/88/39/885768839.db2.gz DMROADWRYUPXMU-GFCCVEGCSA-N 0 1 377.268 3.619 20 10 GHCDMN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000807841370 885773286 /nfs/dbraw/zinc/77/32/86/885773286.db2.gz YYDNZOOHCBDPPD-UHFFFAOYSA-N 0 1 394.233 3.883 20 10 GHCDMN COc1cccc2c1OCC(C(=O)NCc1cc(Cl)cc(Cl)c1O)=C2 ZINC000807835574 885799233 /nfs/dbraw/zinc/79/92/33/885799233.db2.gz HXYCLXLVBIBMQP-UHFFFAOYSA-N 0 1 380.227 3.800 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000807838626 885804149 /nfs/dbraw/zinc/80/41/49/885804149.db2.gz ZJOODPGVOFPYEG-UHFFFAOYSA-N 0 1 397.649 3.863 20 10 GHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)C1CCCCC1 ZINC000807838707 885804254 /nfs/dbraw/zinc/80/42/54/885804254.db2.gz PLMWSAAKHDRCOT-LLVKDONJSA-N 0 1 387.307 3.790 20 10 GHCDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115813 886026066 /nfs/dbraw/zinc/02/60/66/886026066.db2.gz TZBDERNCBUGAFT-UHFFFAOYSA-N 0 1 395.195 3.856 20 10 GHCDMN OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001184115968 913034060 /nfs/dbraw/zinc/03/40/60/913034060.db2.gz QYCYCWOARAUJHJ-NRFANRHFSA-N 0 1 397.515 3.725 20 10 GHCDMN C[C@@H](c1ccccc1)N(CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O ZINC000119275873 886873540 /nfs/dbraw/zinc/87/35/40/886873540.db2.gz FSYMPXHURRUDRK-HNNXBMFYSA-N 0 1 380.410 3.976 20 10 GHCDMN Cc1cc(CCNCc2ncc(C3OCCO3)s2)c(C)n1-c1ccccc1 ZINC000809603054 887615367 /nfs/dbraw/zinc/61/53/67/887615367.db2.gz HZPFMVHUDSGOHU-UHFFFAOYSA-N 0 1 383.517 3.928 20 10 GHCDMN O=C1OCc2c1cccc2S(=O)(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000119943699 887656552 /nfs/dbraw/zinc/65/65/52/887656552.db2.gz UYQHNVKWMRKCHJ-UHFFFAOYSA-N 0 1 386.473 3.538 20 10 GHCDMN COc1cc(O)c(CNCc2ccncc2OCc2ccccc2)cc1OC ZINC000809688852 887707371 /nfs/dbraw/zinc/70/73/71/887707371.db2.gz GHGZDWKCVGRBSK-UHFFFAOYSA-N 0 1 380.444 3.673 20 10 GHCDMN CNC(=O)C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccccc1 ZINC000796035802 913192532 /nfs/dbraw/zinc/19/25/32/913192532.db2.gz DDMVQQHSKWHCGY-SFHVURJKSA-N 0 1 379.426 3.738 20 10 GHCDMN CN(C)c1ncn(-c2cccc(NCc3cc(Cl)cc(Cl)c3O)c2)n1 ZINC000810156846 888245254 /nfs/dbraw/zinc/24/52/54/888245254.db2.gz WLOKOIQCNAMCJT-UHFFFAOYSA-N 0 1 378.263 3.958 20 10 GHCDMN C[C@@H](NCc1c(Br)cnn1C)c1ccc(Br)cc1O ZINC000866431192 888872051 /nfs/dbraw/zinc/87/20/51/888872051.db2.gz KDBJFNQAGPXRPF-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(Br)cc1[O-] ZINC000866431192 888872063 /nfs/dbraw/zinc/87/20/63/888872063.db2.gz KDBJFNQAGPXRPF-MRVPVSSYSA-N 0 1 389.091 3.502 20 10 GHCDMN CC[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(C)cc1 ZINC001132898591 889781640 /nfs/dbraw/zinc/78/16/40/889781640.db2.gz DTIZJGVMTRELAS-NRFANRHFSA-N 0 1 379.548 3.947 20 10 GHCDMN CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000812775145 890953128 /nfs/dbraw/zinc/95/31/28/890953128.db2.gz HHURJBRNDLCVEE-LBPRGKRZSA-N 0 1 393.119 3.917 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@H]2CC(C)(C)CO2)C1 ZINC001133492123 891063924 /nfs/dbraw/zinc/06/39/24/891063924.db2.gz VJRZNEZWVPWBNG-SFHVURJKSA-N 0 1 397.563 3.729 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000825699185 891845387 /nfs/dbraw/zinc/84/53/87/891845387.db2.gz SPLLIIPGBJAIRV-FUHWJXTLSA-N 0 1 380.257 3.550 20 10 GHCDMN C[C@@H](Sc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000813685210 891876021 /nfs/dbraw/zinc/87/60/21/891876021.db2.gz DLNQADWDFPILME-SECBINFHSA-N 0 1 399.299 3.595 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C2CC2)cc1 ZINC000918056535 893069951 /nfs/dbraw/zinc/06/99/51/893069951.db2.gz JKVADYVHYLYNII-NRFANRHFSA-N 0 1 396.535 3.857 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)CCCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774846645 913748019 /nfs/dbraw/zinc/74/80/19/913748019.db2.gz RCNIHSLTRNDZDG-UHFFFAOYSA-N 0 1 380.828 3.863 20 10 GHCDMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825900595 893316355 /nfs/dbraw/zinc/31/63/55/893316355.db2.gz OFFZYOPHBWBKCN-GHMZBOCLSA-N 0 1 382.917 3.521 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815054430 893371952 /nfs/dbraw/zinc/37/19/52/893371952.db2.gz FSFRPUWRVQKWHE-QGZVFWFLSA-N 0 1 382.273 3.719 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815054430 893371972 /nfs/dbraw/zinc/37/19/72/893371972.db2.gz FSFRPUWRVQKWHE-QGZVFWFLSA-N 0 1 382.273 3.719 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864573 913847883 /nfs/dbraw/zinc/84/78/83/913847883.db2.gz RMYRNCRFYIAQIS-QGZVFWFLSA-N 0 1 390.411 3.629 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774864573 913847895 /nfs/dbraw/zinc/84/78/95/913847895.db2.gz RMYRNCRFYIAQIS-QGZVFWFLSA-N 0 1 390.411 3.629 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@@H]1n1cccn1 ZINC000826089636 894811923 /nfs/dbraw/zinc/81/19/23/894811923.db2.gz MAIXIIVAZVFBFM-UAGQMJEPSA-N 0 1 394.313 3.638 20 10 GHCDMN CC(C)(C)c1nc(CN2CCN(Cc3ccc4ccccc4c3O)CC2)no1 ZINC000816514004 894890425 /nfs/dbraw/zinc/89/04/25/894890425.db2.gz JKXGPCXVOSORIF-UHFFFAOYSA-N 0 1 380.492 3.544 20 10 GHCDMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816529678 894898618 /nfs/dbraw/zinc/89/86/18/894898618.db2.gz CHWARZQRLOSKPC-UHFFFAOYSA-N 0 1 398.528 3.866 20 10 GHCDMN [O-]c1c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccc2ccccc12 ZINC000816539140 894909423 /nfs/dbraw/zinc/90/94/23/894909423.db2.gz SXCASNMPFTVDFN-UHFFFAOYSA-N 0 1 380.463 3.935 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cc2)C1 ZINC000816562628 894946299 /nfs/dbraw/zinc/94/62/99/894946299.db2.gz SKCRQQDWDTXQPA-HXUWFJFHSA-N 0 1 389.499 3.537 20 10 GHCDMN C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)cc1[O-] ZINC000817941190 895970794 /nfs/dbraw/zinc/97/07/94/895970794.db2.gz JIPZRUVPMJPTTP-YVEFUNNKSA-N 0 1 378.314 3.571 20 10 GHCDMN COc1ccc(N2CC[C@@H](CN[C@@H](c3ncc[nH]3)c3ccc(F)cc3)C2)cc1 ZINC000818341708 896119800 /nfs/dbraw/zinc/11/98/00/896119800.db2.gz DNMRJSYBOZLULV-HRAATJIYSA-N 0 1 380.467 3.763 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000778577978 897026295 /nfs/dbraw/zinc/02/62/95/897026295.db2.gz YICHLOCSZYLHQO-UHFFFAOYSA-N 0 1 376.382 3.993 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(N=S4(=O)CCCC4)cc3)cc2)CC1 ZINC000883149346 897321345 /nfs/dbraw/zinc/32/13/45/897321345.db2.gz XJXOOEOODGRLBU-UHFFFAOYSA-N 0 1 398.576 3.944 20 10 GHCDMN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc(Br)ccc1[O-] ZINC000883263423 897417317 /nfs/dbraw/zinc/41/73/17/897417317.db2.gz SGNSYKJQHRWYBN-UKRRQHHQSA-N 0 1 384.314 3.781 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(Br)cs1 ZINC000883290679 897456304 /nfs/dbraw/zinc/45/63/04/897456304.db2.gz CDDNQEMGUVNMRR-CYBMUJFWSA-N 0 1 395.370 3.508 20 10 GHCDMN COc1cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824556525 899684513 /nfs/dbraw/zinc/68/45/13/899684513.db2.gz XDNPEMTYLQFWGC-IBGZPJMESA-N 0 1 386.492 3.572 20 10 GHCDMN CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824601768 899714350 /nfs/dbraw/zinc/71/43/50/899714350.db2.gz NKPBEUMFMDPHJW-UHFFFAOYSA-N 0 1 383.330 3.625 20 10 GHCDMN O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824639774 899732063 /nfs/dbraw/zinc/73/20/63/899732063.db2.gz PEGTZRXDZWITES-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN CCOCc1cc(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC ZINC000825109983 899976994 /nfs/dbraw/zinc/97/69/94/899976994.db2.gz BUCJYUPMRBNWMM-DLBZAZTESA-N 0 1 382.504 3.688 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)c(C)cc1O ZINC001186338245 914486563 /nfs/dbraw/zinc/48/65/63/914486563.db2.gz QKTAFWHLBSPOIV-UHFFFAOYSA-N 0 1 391.674 3.621 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CCN(c2ccccc2F)CC1 ZINC001144299860 901650557 /nfs/dbraw/zinc/65/05/57/901650557.db2.gz KRMABHOZSPCUKR-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN CC[C@@H]1[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001144301508 901674654 /nfs/dbraw/zinc/67/46/54/901674654.db2.gz QFSNGVHGPVRXRO-WMZOPIPTSA-N 0 1 399.304 3.659 20 10 GHCDMN COc1cc(F)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000845903045 902516360 /nfs/dbraw/zinc/51/63/60/902516360.db2.gz LCRIZQMZKAILEJ-KRWDZBQOSA-N 0 1 375.440 3.730 20 10 GHCDMN COc1cc(CN[C@@H](C)c2cccc(OC)c2O)c(Br)cc1O ZINC000846171217 902741488 /nfs/dbraw/zinc/74/14/88/902741488.db2.gz DWDMCMICRXFBBT-JTQLQIEISA-N 0 1 382.254 3.728 20 10 GHCDMN C[C@@H](c1ccccc1Cl)[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846238592 902813143 /nfs/dbraw/zinc/81/31/43/902813143.db2.gz MOHWKKNJCACNJA-NSHDSACASA-N 0 1 386.839 3.512 20 10 GHCDMN C[C@@H](c1ccccc1Cl)[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1 ZINC000846238592 902813149 /nfs/dbraw/zinc/81/31/49/902813149.db2.gz MOHWKKNJCACNJA-NSHDSACASA-N 0 1 386.839 3.512 20 10 GHCDMN CN(C)c1cccc(NS(=O)(=O)c2cc(F)c(F)cc2Br)c1 ZINC001186721341 914776928 /nfs/dbraw/zinc/77/69/28/914776928.db2.gz IDKLGQYKZNHXMG-UHFFFAOYSA-N 0 1 391.237 3.594 20 10 GHCDMN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153352138 904355117 /nfs/dbraw/zinc/35/51/17/904355117.db2.gz IEEZMTNVBJNAGY-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000779189933 905238884 /nfs/dbraw/zinc/23/88/84/905238884.db2.gz OFEAIZPNKNARQE-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000801587219 921169430 /nfs/dbraw/zinc/16/94/30/921169430.db2.gz ZIOKXWIUIGVBLT-QGZVFWFLSA-N 0 1 394.487 3.859 20 10 GHCDMN COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC001173724048 906673727 /nfs/dbraw/zinc/67/37/27/906673727.db2.gz XVICPXPZUVRTGG-LBPRGKRZSA-N 0 1 378.266 3.662 20 10 GHCDMN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)cc1[O-] ZINC000185263623 907742474 /nfs/dbraw/zinc/74/24/74/907742474.db2.gz OJVFAVWDPROEDR-LBPRGKRZSA-N 0 1 398.322 3.550 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cnc(-c4ccco4)s3)cc2F)CC1 ZINC000193037478 908845883 /nfs/dbraw/zinc/84/58/83/908845883.db2.gz USVOWKOZIURCGK-UHFFFAOYSA-N 0 1 387.480 3.793 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154276 909992630 /nfs/dbraw/zinc/99/26/30/909992630.db2.gz PVWFHKCZDZOIHT-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154276 909992645 /nfs/dbraw/zinc/99/26/45/909992645.db2.gz PVWFHKCZDZOIHT-ZIAGYGMSSA-N 0 1 383.330 3.672 20 10 GHCDMN CCN(Cc1c2cc(F)ccc2n(C)c1C(=O)OC)Cc1ccc2c(c1)OCO2 ZINC001180504951 910216716 /nfs/dbraw/zinc/21/67/16/910216716.db2.gz BIZSVJQVNLTLLS-UHFFFAOYSA-N 0 1 398.434 3.855 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000774202810 911483821 /nfs/dbraw/zinc/48/38/21/911483821.db2.gz CVQUGCHWZWWTQI-IRXDYDNUSA-N 0 1 384.520 3.907 20 10 GHCDMN COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])CCN2C2CC2)c1 ZINC000801957666 921683727 /nfs/dbraw/zinc/68/37/27/921683727.db2.gz NQYMBDZNKPIDJG-YADHBBJMSA-N 0 1 398.478 3.810 20 10 GHCDMN COc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl ZINC000284436778 911865341 /nfs/dbraw/zinc/86/53/41/911865341.db2.gz RQWDLQQGPDJKQJ-CYBMUJFWSA-N 0 1 393.890 3.695 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CN[C@H](c3nnc[nH]3)c3cccnc3)cc2Cl)C1 ZINC000284865066 912059710 /nfs/dbraw/zinc/05/97/10/912059710.db2.gz ASEUEEWJPXEAQW-QRWLVFNGSA-N 0 1 396.926 3.969 20 10 GHCDMN O=C(c1ccccc1)c1ccc(Br)cc1NS(=O)(=O)CC1CC1 ZINC001188976342 916293481 /nfs/dbraw/zinc/29/34/81/916293481.db2.gz GRODEOTVIZZGCP-UHFFFAOYSA-N 0 1 394.290 3.832 20 10 GHCDMN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c(C)c1O ZINC000775291131 916838432 /nfs/dbraw/zinc/83/84/32/916838432.db2.gz ADPXYPDGZAFJEI-UHFFFAOYSA-N 0 1 384.841 3.988 20 10 GHCDMN Cc1nc(CN2CC[C@@]3(CCCN3Cc3ccc(Cl)cc3O)C2=O)cs1 ZINC001275896302 919338062 /nfs/dbraw/zinc/33/80/62/919338062.db2.gz XHYNVQBJCBYIEV-IBGZPJMESA-N 0 1 391.924 3.578 20 10 GHCDMN CCOc1ccc(CN[C@@H]2COc3cc(F)c(Br)cc32)c(O)c1 ZINC000800310235 919885350 /nfs/dbraw/zinc/88/53/50/919885350.db2.gz ZLQVKBIWJDHECY-OAHLLOKOSA-N 0 1 382.229 3.916 20 10 GHCDMN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(F)cc3nn[nH]c32)cc1 ZINC000800408655 920040771 /nfs/dbraw/zinc/04/07/71/920040771.db2.gz ADBIFZPBRSVXRF-UHFFFAOYSA-N 0 1 393.422 3.599 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827311251 925241870 /nfs/dbraw/zinc/24/18/70/925241870.db2.gz XJNKCUHOVLQUQD-WMHRWZGDSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311251 925241886 /nfs/dbraw/zinc/24/18/86/925241886.db2.gz XJNKCUHOVLQUQD-WMHRWZGDSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311251 925241898 /nfs/dbraw/zinc/24/18/98/925241898.db2.gz XJNKCUHOVLQUQD-WMHRWZGDSA-N 0 1 385.895 3.543 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@@H](OCC(F)(F)F)C3)cc2)CC1 ZINC000827866420 926102154 /nfs/dbraw/zinc/10/21/54/926102154.db2.gz LRCCMEALCISWIP-LJQANCHMSA-N 0 1 386.458 3.845 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cc(Br)ccc1[O-] ZINC000390273444 926393264 /nfs/dbraw/zinc/39/32/64/926393264.db2.gz BJEUAVFVYOQNBD-MRXNPFEDSA-N 0 1 377.282 3.755 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000725856898 926469734 /nfs/dbraw/zinc/46/97/34/926469734.db2.gz ZXNZNCMHGIMHNN-UHFFFAOYSA-N 0 1 382.508 3.588 20 10 GHCDMN CCN(CC)Cc1ccc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000726563260 926740468 /nfs/dbraw/zinc/74/04/68/926740468.db2.gz YKWPEPVAPVAICY-UHFFFAOYSA-N 0 1 385.508 3.529 20 10 GHCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962365 926958556 /nfs/dbraw/zinc/95/85/56/926958556.db2.gz WMOUZVVHRAFBCC-HZPDHXFCSA-N 0 1 396.487 3.655 20 10 GHCDMN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000726962365 926958561 /nfs/dbraw/zinc/95/85/61/926958561.db2.gz WMOUZVVHRAFBCC-HZPDHXFCSA-N 0 1 396.487 3.655 20 10 GHCDMN COc1ccc(-n2c(C)cc(CN(C)Cc3cccc(C(N)=O)c3)c2C)cc1 ZINC000749812582 927293811 /nfs/dbraw/zinc/29/38/11/927293811.db2.gz UEAXXVCKFBVLNC-UHFFFAOYSA-N 0 1 377.488 3.834 20 10 GHCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccoc3)[nH]n2)cc1 ZINC000751406324 928175530 /nfs/dbraw/zinc/17/55/30/928175530.db2.gz PTIXDUIZOBAKJK-IBGZPJMESA-N 0 1 394.475 3.557 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1C1CC1 ZINC000752595374 928912482 /nfs/dbraw/zinc/91/24/82/928912482.db2.gz DOWGCRFNQMUJOT-QGZVFWFLSA-N 0 1 385.895 3.712 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1O ZINC000757284369 929685219 /nfs/dbraw/zinc/68/52/19/929685219.db2.gz DEMTVMKSORUPDM-QGZVFWFLSA-N 0 1 395.503 3.724 20 10 GHCDMN Fc1cc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2cc1Br ZINC000758472902 930056207 /nfs/dbraw/zinc/05/62/07/930056207.db2.gz MMBZYBPNKDTADQ-UHFFFAOYSA-N 0 1 376.229 3.968 20 10 GHCDMN CN(c1ccc(CNC(=O)c2cn[nH]c2-c2cnn(C)c2)cc1)C1CCCCC1 ZINC000780498545 930534227 /nfs/dbraw/zinc/53/42/27/930534227.db2.gz OBKYPSGZQVGOBP-UHFFFAOYSA-N 0 1 392.507 3.509 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000781913012 931026363 /nfs/dbraw/zinc/02/63/63/931026363.db2.gz YDVIZCLHROXAIU-ZDUSSCGKSA-N 0 1 391.313 3.838 20 10 GHCDMN Cc1nccnc1[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000783280357 931481256 /nfs/dbraw/zinc/48/12/56/931481256.db2.gz VMAQPSCZKXSKRX-APWZRJJASA-N 0 1 399.539 3.768 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001139684507 933209679 /nfs/dbraw/zinc/20/96/79/933209679.db2.gz XMABRQNMCHYFKJ-UHFFFAOYSA-N 0 1 387.352 3.797 20 10 GHCDMN COC1CCN(c2ccc(CN[C@@H](c3cnn(C)c3)c3ccccc3)cc2)CC1 ZINC001117756596 934008077 /nfs/dbraw/zinc/00/80/77/934008077.db2.gz HCWFKXFASRDONT-XMMPIXPASA-N 0 1 390.531 3.915 20 10 GHCDMN Cc1cc(CN2CCN(c3ncccc3C(F)(F)F)CC2)ccc1N(C)C ZINC001139669642 935400470 /nfs/dbraw/zinc/40/04/70/935400470.db2.gz FORCWHRYIMNWNV-UHFFFAOYSA-N 0 1 378.442 3.797 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001594538266 986165275 /nfs/dbraw/zinc/16/52/75/986165275.db2.gz KOFXWBKOTGDEOZ-BBWFWOEESA-N 0 1 398.503 3.550 20 10 GHCDMN COc1cc2[nH]ncc2cc1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001154801121 1032289728 /nfs/dbraw/zinc/28/97/28/1032289728.db2.gz ZPJVHPMMFCJQBC-HXUWFJFHSA-N 0 1 379.460 3.947 20 10 GHCDMN CCOC[C@@H](C)Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227662416 1032510157 /nfs/dbraw/zinc/51/01/57/1032510157.db2.gz LNFMAULHGLUTMI-SECBINFHSA-N 0 1 386.356 3.613 20 10 GHCDMN C[C@H]1COCC[C@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660166 1032508140 /nfs/dbraw/zinc/50/81/40/1032508140.db2.gz VYYZUBLDGPZFFO-LKFCYVNXSA-N 0 1 398.367 3.613 20 10 GHCDMN CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC001204203728 1032656393 /nfs/dbraw/zinc/65/63/93/1032656393.db2.gz APEAROBKKKSRSR-SFHVURJKSA-N 0 1 385.464 3.578 20 10 GHCDMN COc1cc(Br)cc([C@@H](C)NCc2cc(C3CC3)n(C)n2)c1O ZINC000927107150 1017357289 /nfs/dbraw/zinc/35/72/89/1017357289.db2.gz HATVQUJIQFEJOT-SNVBAGLBSA-N 0 1 380.286 3.625 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)cc2O)[C@H](Cc2ccccc2)C1 ZINC001204279441 1032719508 /nfs/dbraw/zinc/71/95/08/1032719508.db2.gz ZDJZGQRGWRUWIE-LJQANCHMSA-N 0 1 398.503 3.762 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)c2nccs2)C1 ZINC000568713598 1019443165 /nfs/dbraw/zinc/44/31/65/1019443165.db2.gz HOVMPGSHYWWIBI-UHFFFAOYSA-N 0 1 396.560 3.916 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc4cnccc4cc3C)CC2)cc1 ZINC001156262749 1032949132 /nfs/dbraw/zinc/94/91/32/1032949132.db2.gz CYANUUNMWCDWEB-UHFFFAOYSA-N 0 1 391.519 3.571 20 10 GHCDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(OCc4ccccc4)cc3O)[C@H]2C1 ZINC000248504633 1021093593 /nfs/dbraw/zinc/09/35/93/1021093593.db2.gz VPLFWAQTKRYZDM-UNWVZKJWSA-N 0 1 383.488 3.740 20 10 GHCDMN CCN(Cc1cnc2cnc(Br)cn12)Cc1ccc(N(C)C)cc1 ZINC001140242949 1021218414 /nfs/dbraw/zinc/21/84/14/1021218414.db2.gz FNBFRVAMDFPHEB-UHFFFAOYSA-N 0 1 388.313 3.580 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000800527796 1021315060 /nfs/dbraw/zinc/31/50/60/1021315060.db2.gz BTJFLKBZEJOJNG-CYBMUJFWSA-N 0 1 390.871 3.866 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c([O-])cccc3Cl)C[C@H]12 ZINC001140339289 1021446944 /nfs/dbraw/zinc/44/69/44/1021446944.db2.gz HNOMDERHWFTPKO-VXKWHMMOSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@H]12 ZINC001140339289 1021446946 /nfs/dbraw/zinc/44/69/46/1021446946.db2.gz HNOMDERHWFTPKO-VXKWHMMOSA-N 0 1 384.907 3.810 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(Cl)cc4[O-])C3)C2=O)c1 ZINC001140466839 1021763195 /nfs/dbraw/zinc/76/31/95/1021763195.db2.gz JOGQABHPDUDSER-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4[O-])C3)C2=O)c1 ZINC001140466839 1021763210 /nfs/dbraw/zinc/76/32/10/1021763210.db2.gz JOGQABHPDUDSER-JOCHJYFZSA-N 0 1 384.907 3.979 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000835083339 1021881970 /nfs/dbraw/zinc/88/19/70/1021881970.db2.gz XZZLPJWFEUGAGV-GOSISDBHSA-N 0 1 386.492 3.661 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000835083339 1021881982 /nfs/dbraw/zinc/88/19/82/1021881982.db2.gz XZZLPJWFEUGAGV-GOSISDBHSA-N 0 1 386.492 3.661 20 10 GHCDMN Cc1c(O)ccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1O ZINC001140748265 1022422414 /nfs/dbraw/zinc/42/24/14/1022422414.db2.gz IPXIOBRQVJSSKV-UHFFFAOYSA-N 0 1 393.487 3.585 20 10 GHCDMN CCN(CC)c1ccc(CN2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001140856226 1022712625 /nfs/dbraw/zinc/71/26/25/1022712625.db2.gz UHEVZPPHAQCAQH-UHFFFAOYSA-N 0 1 376.504 3.982 20 10 GHCDMN CN(C)c1ccc(CN2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(Cl)c1 ZINC001140923567 1022900338 /nfs/dbraw/zinc/90/03/38/1022900338.db2.gz BPHQCMQEJJWVHC-SFHVURJKSA-N 0 1 375.944 3.677 20 10 GHCDMN O=C(c1ccccc1)N1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078243 1023443940 /nfs/dbraw/zinc/44/39/40/1023443940.db2.gz QGRBOMGZEJFQGR-UHFFFAOYSA-N 0 1 389.543 3.734 20 10 GHCDMN C[C@H](NCc1nccn1CC(F)(F)F)c1ccc(Br)cc1O ZINC000756539238 1023704337 /nfs/dbraw/zinc/70/43/37/1023704337.db2.gz KUCQGQCXYKQZRP-VIFPVBQESA-N 0 1 378.192 3.764 20 10 GHCDMN C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756539238 1023704343 /nfs/dbraw/zinc/70/43/43/1023704343.db2.gz KUCQGQCXYKQZRP-VIFPVBQESA-N 0 1 378.192 3.764 20 10 GHCDMN C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cc(Br)ccc1[O-] ZINC000756709023 1023782893 /nfs/dbraw/zinc/78/28/93/1023782893.db2.gz VGRAKOQRVAWUOD-ZDUSSCGKSA-N 0 1 395.341 3.987 20 10 GHCDMN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000756707679 1023783215 /nfs/dbraw/zinc/78/32/15/1023783215.db2.gz MWSGTEOCSOFBBZ-GFCCVEGCSA-N 0 1 385.302 3.815 20 10 GHCDMN COc1cccc(-c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)nn2)c1 ZINC001156657488 1033161742 /nfs/dbraw/zinc/16/17/42/1033161742.db2.gz LPIYSBJDCHOAEN-UHFFFAOYSA-N 0 1 389.503 3.516 20 10 GHCDMN CN1CCN(c2ccc(CNc3cncc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC001156660217 1033162545 /nfs/dbraw/zinc/16/25/45/1033162545.db2.gz URQPZZUJFTVKRP-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN CN1Cc2ccccc2[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000756995903 1023902774 /nfs/dbraw/zinc/90/27/74/1023902774.db2.gz LZPMCFIOUWNKOT-FQEVSTJZSA-N 0 1 380.492 3.861 20 10 GHCDMN CN1CCOc2cc(CN(CCO)Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC001141144585 1023963330 /nfs/dbraw/zinc/96/33/30/1023963330.db2.gz HJZHGVDUZNVYGC-UHFFFAOYSA-N 0 1 381.303 3.817 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000830966532 1024279328 /nfs/dbraw/zinc/27/93/28/1024279328.db2.gz AHMPSLVAVQUCLX-TYPHKJRUSA-N 0 1 399.510 3.826 20 10 GHCDMN COC[C@H]1CN(Cc2c(C)n(C)c3ccccc23)CCN1C(=O)OC(C)(C)C ZINC001138252525 1024472077 /nfs/dbraw/zinc/47/20/77/1024472077.db2.gz JWDGYXWQEKVQNI-QGZVFWFLSA-N 0 1 387.524 3.554 20 10 GHCDMN CN1CCCc2cc(CN3CCC[C@@H](NC(=O)c4ccccc4F)C3)ccc21 ZINC001138359337 1024722687 /nfs/dbraw/zinc/72/26/87/1024722687.db2.gz RWRXDWFOGXASPO-LJQANCHMSA-N 0 1 381.495 3.603 20 10 GHCDMN Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374624 1024767367 /nfs/dbraw/zinc/76/73/67/1024767367.db2.gz LLFVZHFMBGLQKG-CYBMUJFWSA-N 0 1 398.688 3.560 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001141374255 1024767819 /nfs/dbraw/zinc/76/78/19/1024767819.db2.gz DBKPHTWIWJFVDO-CYBMUJFWSA-N 0 1 398.688 3.642 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001138392154 1024769393 /nfs/dbraw/zinc/76/93/93/1024769393.db2.gz SGZMZJKZWZWACU-HXUWFJFHSA-N 0 1 384.524 3.683 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)NCc3ccc4cncn4c3)cc2)CC1 ZINC000838378122 1025094962 /nfs/dbraw/zinc/09/49/62/1025094962.db2.gz YVIUYHHAMBZVEB-UHFFFAOYSA-N 0 1 377.492 3.570 20 10 GHCDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676190 1025201296 /nfs/dbraw/zinc/20/12/96/1025201296.db2.gz CUCYKAABOOJTBZ-SFHVURJKSA-N 0 1 385.321 4.000 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001139129306 1025941887 /nfs/dbraw/zinc/94/18/87/1025941887.db2.gz VGGUPJIUNCXWRX-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001139129306 1025941893 /nfs/dbraw/zinc/94/18/93/1025941893.db2.gz VGGUPJIUNCXWRX-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001139129306 1025941901 /nfs/dbraw/zinc/94/19/01/1025941901.db2.gz VGGUPJIUNCXWRX-WIYYLYMNSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001139133713 1025946492 /nfs/dbraw/zinc/94/64/92/1025946492.db2.gz MRGGYNBSGVNXCL-UHFFFAOYSA-N 0 1 387.439 3.686 20 10 GHCDMN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1c(F)ccc(O)c1O ZINC000832851153 1026033700 /nfs/dbraw/zinc/03/37/00/1026033700.db2.gz YHWGXEVYJUJUBM-UHFFFAOYSA-N 0 1 393.436 3.596 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(c2ccc3c(c2)OCO3)CC1 ZINC001141738150 1026388292 /nfs/dbraw/zinc/38/82/92/1026388292.db2.gz XQRIOMKRMKBQML-UHFFFAOYSA-N 0 1 380.227 3.776 20 10 GHCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001140098573 1026875362 /nfs/dbraw/zinc/87/53/62/1026875362.db2.gz FSMDIABLQPKACP-IINYFYTJSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@]1(O)C(F)(F)F ZINC001140098573 1026875372 /nfs/dbraw/zinc/87/53/72/1026875372.db2.gz FSMDIABLQPKACP-IINYFYTJSA-N 0 1 382.220 3.680 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100487 1026879290 /nfs/dbraw/zinc/87/92/90/1026879290.db2.gz QZHRUVQJIQQGND-SFHVURJKSA-N 0 1 397.313 3.740 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140100487 1026879304 /nfs/dbraw/zinc/87/93/04/1026879304.db2.gz QZHRUVQJIQQGND-SFHVURJKSA-N 0 1 397.313 3.740 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@]12CCN(Cc1c(O)cccc1Br)C2 ZINC001140100487 1026879314 /nfs/dbraw/zinc/87/93/14/1026879314.db2.gz QZHRUVQJIQQGND-SFHVURJKSA-N 0 1 397.313 3.740 20 10 GHCDMN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccccc1 ZINC001140101896 1026880447 /nfs/dbraw/zinc/88/04/47/1026880447.db2.gz CXVSXXOOAUVLLT-GJZGRUSLSA-N 0 1 390.277 3.543 20 10 GHCDMN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)C[C@H]1c1ccccc1 ZINC001140101896 1026880457 /nfs/dbraw/zinc/88/04/57/1026880457.db2.gz CXVSXXOOAUVLLT-GJZGRUSLSA-N 0 1 390.277 3.543 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2cn(CC3CCCC3)nc21 ZINC001203591584 1027456054 /nfs/dbraw/zinc/45/60/54/1027456054.db2.gz JUGPXSMFXMTQEV-FQEVSTJZSA-N 0 1 399.535 3.923 20 10 GHCDMN Cc1coc2ccc(NC(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC001203612487 1027477242 /nfs/dbraw/zinc/47/72/42/1027477242.db2.gz NZEQLWZXYMUVHF-UHFFFAOYSA-N 0 1 378.476 3.815 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001203639765 1027499833 /nfs/dbraw/zinc/49/98/33/1027499833.db2.gz KAHCBOGIQGEONK-QGZVFWFLSA-N 0 1 396.325 3.705 20 10 GHCDMN CC(C)(C)OC(=O)NCCC1CN(Cc2cc(Br)ccc2O)C1 ZINC001203646081 1027503480 /nfs/dbraw/zinc/50/34/80/1027503480.db2.gz ZTYQFDLUSCYCHV-UHFFFAOYSA-N 0 1 385.302 3.501 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203665891 1027518336 /nfs/dbraw/zinc/51/83/36/1027518336.db2.gz ZVJRBWBYJOHTHW-CYBMUJFWSA-N 0 1 387.789 3.898 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001203665891 1027518343 /nfs/dbraw/zinc/51/83/43/1027518343.db2.gz ZVJRBWBYJOHTHW-CYBMUJFWSA-N 0 1 387.789 3.898 20 10 GHCDMN CCN(CC)c1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC001203940321 1027736727 /nfs/dbraw/zinc/73/67/27/1027736727.db2.gz MKAVSXDLBFMSIU-RBZQAINGSA-N 0 1 395.547 3.876 20 10 GHCDMN Cc1c([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000840761273 1027802118 /nfs/dbraw/zinc/80/21/18/1027802118.db2.gz VESXWBPXMHSKMR-AWEZNQCLSA-N 0 1 391.418 3.869 20 10 GHCDMN O=S(=O)(c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1)C(F)(F)F ZINC001204110678 1027882733 /nfs/dbraw/zinc/88/27/33/1027882733.db2.gz HMNUQRDXRHRNDD-UHFFFAOYSA-N 0 1 379.787 3.629 20 10 GHCDMN COc1c([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963456 1027997405 /nfs/dbraw/zinc/99/74/05/1027997405.db2.gz NPWYLVTVTGBKRY-FQEVSTJZSA-N 0 1 384.432 3.663 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840963456 1027997409 /nfs/dbraw/zinc/99/74/09/1027997409.db2.gz NPWYLVTVTGBKRY-FQEVSTJZSA-N 0 1 384.432 3.663 20 10 GHCDMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746621 1028908401 /nfs/dbraw/zinc/90/84/01/1028908401.db2.gz JFDYGPCHDGLNRE-AWEZNQCLSA-N 0 1 396.940 3.927 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001142512730 1029015016 /nfs/dbraw/zinc/01/50/16/1029015016.db2.gz JKCNYLHEYMJLCY-CTNGQTDRSA-N 0 1 390.430 3.516 20 10 GHCDMN 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COC(=O)c1cc(NS(=O)(=O)c2ccccc2Oc2ccccc2)ccc1O ZINC001198469820 874423256 /nfs/dbraw/zinc/42/32/56/874423256.db2.gz RMQPBKABBKAEEF-UHFFFAOYSA-N 0 1 399.424 3.772 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000858092699 882835863 /nfs/dbraw/zinc/83/58/63/882835863.db2.gz HYCMMNUEZIUISZ-UHFFFAOYSA-N 0 1 384.657 3.869 20 10 GHCDMN CN(C)c1c(CNCc2ccc(N3CCSCC3)cc2)ccc(F)c1F ZINC000858100066 882845422 /nfs/dbraw/zinc/84/54/22/882845422.db2.gz ITDVCUHYXXPSQX-UHFFFAOYSA-N 0 1 377.504 3.874 20 10 GHCDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3O)CC2)c(C(F)(F)F)c1 ZINC000770510868 874714543 /nfs/dbraw/zinc/71/45/43/874714543.db2.gz SZCPOHMYJQEVIA-UHFFFAOYSA-N 0 1 381.354 3.641 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771057542 875014131 /nfs/dbraw/zinc/01/41/31/875014131.db2.gz KKCFXPMZWOEQJR-MRXNPFEDSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057542 875014143 /nfs/dbraw/zinc/01/41/43/875014143.db2.gz KKCFXPMZWOEQJR-MRXNPFEDSA-N 0 1 394.849 3.647 20 10 GHCDMN O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000771057542 875014153 /nfs/dbraw/zinc/01/41/53/875014153.db2.gz KKCFXPMZWOEQJR-MRXNPFEDSA-N 0 1 394.849 3.647 20 10 GHCDMN COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F ZINC000771062993 875017406 /nfs/dbraw/zinc/01/74/06/875017406.db2.gz CXJLWXOPILLTJZ-INIZCTEOSA-N 0 1 392.858 3.588 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000858158214 882895237 /nfs/dbraw/zinc/89/52/37/882895237.db2.gz BHZXFGDIXMCGHI-UHFFFAOYSA-N 0 1 381.236 3.519 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691486647 875164951 /nfs/dbraw/zinc/16/49/51/875164951.db2.gz BLOZLWJREGYMJA-DOMZBBRYSA-N 0 1 399.329 3.938 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691486650 875165248 /nfs/dbraw/zinc/16/52/48/875165248.db2.gz BLOZLWJREGYMJA-WFASDCNBSA-N 0 1 399.329 3.938 20 10 GHCDMN CSCc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001199811237 875195600 /nfs/dbraw/zinc/19/56/00/875195600.db2.gz CPKRXNPHGRRHER-UHFFFAOYSA-N 0 1 384.549 3.623 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)[C@H]1n1cccn1 ZINC000858173703 882909678 /nfs/dbraw/zinc/90/96/78/882909678.db2.gz FVVJPXDFLOQCAA-USXIJHARSA-N 0 1 394.313 3.638 20 10 GHCDMN CSc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001201193963 875554290 /nfs/dbraw/zinc/55/42/90/875554290.db2.gz CCRLESGRRCYCAU-UHFFFAOYSA-N 0 1 386.590 3.647 20 10 GHCDMN COC(=O)CCCN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001202283421 876103669 /nfs/dbraw/zinc/10/36/69/876103669.db2.gz VBUADXTYSKIOKO-UHFFFAOYSA-N 0 1 379.460 3.570 20 10 GHCDMN Cc1cc(CNCc2ccccc2OCC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000858294412 883006825 /nfs/dbraw/zinc/00/68/25/883006825.db2.gz YQUHWLVKMHKLFF-UHFFFAOYSA-N 0 1 391.515 3.851 20 10 GHCDMN COCCC1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000529631682 876395905 /nfs/dbraw/zinc/39/59/05/876395905.db2.gz NOEOVRMUWWMYCG-UHFFFAOYSA-N 0 1 397.563 3.683 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C2CCOCC2)C1 ZINC000786345732 876611130 /nfs/dbraw/zinc/61/11/30/876611130.db2.gz OSBTYRBXGQJDIK-UHFFFAOYSA-N 0 1 397.563 3.729 20 10 GHCDMN COc1ccc(N2CC[C@@H](NCc3c(C)nn(-c4ccccn4)c3Cl)C2)cc1 ZINC000850347324 876838806 /nfs/dbraw/zinc/83/88/06/876838806.db2.gz QFWXHZGUVKYSFN-MRXNPFEDSA-N 0 1 397.910 3.606 20 10 GHCDMN O=[N+]([O-])c1cc(CNCc2cccnc2N2CCCC2)ccc1N1CCCCC1 ZINC000850353189 876843983 /nfs/dbraw/zinc/84/39/83/876843983.db2.gz VQOHSPLEUAUAHK-UHFFFAOYSA-N 0 1 395.507 3.870 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000850427005 876910063 /nfs/dbraw/zinc/91/00/63/876910063.db2.gz KEZNZKSUXSCNRI-INIZCTEOSA-N 0 1 399.491 3.663 20 10 GHCDMN Cc1cc(Br)cc([C@@H](C)NCc2ncnn2-c2ccccc2)c1O ZINC000786937609 877066077 /nfs/dbraw/zinc/06/60/77/877066077.db2.gz BGRIXTCTXHXGKF-CYBMUJFWSA-N 0 1 387.281 3.895 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000175586915 877336935 /nfs/dbraw/zinc/33/69/35/877336935.db2.gz JCCVGZYJTJAATQ-UHFFFAOYSA-N 0 1 380.460 3.565 20 10 GHCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000715111967 878377166 /nfs/dbraw/zinc/37/71/66/878377166.db2.gz PYNUYUGCSLCWIS-HAQNSBGRSA-N 0 1 385.302 3.548 20 10 GHCDMN COC[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCO1 ZINC000789382637 878875622 /nfs/dbraw/zinc/87/56/22/878875622.db2.gz MQHMCGQFMMCDMY-PMACEKPBSA-N 0 1 382.464 3.824 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1Cc2cccnc2C1 ZINC001203562976 912424242 /nfs/dbraw/zinc/42/42/42/912424242.db2.gz RYYHLYHCVIRBQC-UHFFFAOYSA-N 0 1 384.071 3.828 20 10 GHCDMN C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2)C1=O ZINC000790609804 879883212 /nfs/dbraw/zinc/88/32/12/879883212.db2.gz LLZAISRPXHBUOB-NRFANRHFSA-N 0 1 399.878 3.560 20 10 GHCDMN C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2)C1=O ZINC000790609806 879883389 /nfs/dbraw/zinc/88/33/89/879883389.db2.gz LLZAISRPXHBUOB-OAQYLSRUSA-N 0 1 399.878 3.560 20 10 GHCDMN O=C(NCc1cnn(-c2ccccc2)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000804889981 883456097 /nfs/dbraw/zinc/45/60/97/883456097.db2.gz UPENMIGSRJUGGH-UHFFFAOYSA-N 0 1 391.258 3.884 20 10 GHCDMN Nc1ccc(CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000841959000 884340258 /nfs/dbraw/zinc/34/02/58/884340258.db2.gz KBEUUEJFOGOKFM-SFHVURJKSA-N 0 1 396.539 3.566 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@@]12CC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001275241987 912814021 /nfs/dbraw/zinc/81/40/21/912814021.db2.gz OQVIOSOPTVULRL-LJQANCHMSA-N 0 1 393.325 3.522 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@@]12CC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001275241987 912814044 /nfs/dbraw/zinc/81/40/44/912814044.db2.gz OQVIOSOPTVULRL-LJQANCHMSA-N 0 1 393.325 3.522 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000806182788 884425533 /nfs/dbraw/zinc/42/55/33/884425533.db2.gz CBNBWUVDOWZYLE-MAUKXSAKSA-N 0 1 394.924 3.550 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000860485622 884727624 /nfs/dbraw/zinc/72/76/24/884727624.db2.gz CXYCAFGOUCDTOU-AWEZNQCLSA-N 0 1 379.464 3.639 20 10 GHCDMN C[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC001183919956 912908724 /nfs/dbraw/zinc/90/87/24/912908724.db2.gz RNVVRGOZEXZFHH-SECBINFHSA-N 0 1 379.092 3.528 20 10 GHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC001183919956 912908732 /nfs/dbraw/zinc/90/87/32/912908732.db2.gz RNVVRGOZEXZFHH-SECBINFHSA-N 0 1 379.092 3.528 20 10 GHCDMN Oc1cccc(Br)c1CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC001183959247 912925640 /nfs/dbraw/zinc/92/56/40/912925640.db2.gz ONSNFECYCQYIDS-UHFFFAOYSA-N 0 1 386.249 3.804 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc(Cl)ccc1F ZINC000807511030 885496475 /nfs/dbraw/zinc/49/64/75/885496475.db2.gz CZTNSQMIBAKAQE-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(C2CC2)cc1 ZINC000807513577 885498264 /nfs/dbraw/zinc/49/82/64/885498264.db2.gz PYVUUMQZIYBCNT-UHFFFAOYSA-N 0 1 379.243 3.831 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1Br ZINC000807840720 885769088 /nfs/dbraw/zinc/76/90/88/885769088.db2.gz IHJJLQHALJKGKX-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN COc1ccc(COCCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807840786 885769199 /nfs/dbraw/zinc/76/91/99/885769199.db2.gz JVKVHDCFGWXFJQ-UHFFFAOYSA-N 0 1 384.259 3.931 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(Cc2ccccc2)c1 ZINC000807837726 885800756 /nfs/dbraw/zinc/80/07/56/885800756.db2.gz BVNSDPPVTAAAFV-UHFFFAOYSA-N 0 1 376.243 3.874 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)nc1 ZINC000807837919 885804470 /nfs/dbraw/zinc/80/44/70/885804470.db2.gz GLLIYCMWOYRKAY-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1Br ZINC000807839227 885806246 /nfs/dbraw/zinc/80/62/46/885806246.db2.gz AIBMUTFLWGAXDI-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839198 885806411 /nfs/dbraw/zinc/80/64/11/885806411.db2.gz YVWPVRDHFBTHON-NSHDSACASA-N 0 1 391.254 3.830 20 10 GHCDMN CCOC(=O)c1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000808086873 886006969 /nfs/dbraw/zinc/00/69/69/886006969.db2.gz JWSCZWSTQPIXHX-UHFFFAOYSA-N 0 1 386.191 3.791 20 10 GHCDMN CCN(C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)CC(F)(F)F ZINC000862250565 886253384 /nfs/dbraw/zinc/25/33/84/886253384.db2.gz RGOGYCBEFZNIPX-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN CCN(C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)CC(F)(F)F ZINC000862250565 886253396 /nfs/dbraw/zinc/25/33/96/886253396.db2.gz RGOGYCBEFZNIPX-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN Cc1nc(C)c(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)o1 ZINC000862291680 886281470 /nfs/dbraw/zinc/28/14/70/886281470.db2.gz MYAZSNPHAXSENQ-SFHVURJKSA-N 0 1 388.512 3.713 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000862371885 886334080 /nfs/dbraw/zinc/33/40/80/886334080.db2.gz NIJNEGKTLPDBAR-IBGZPJMESA-N 0 1 394.284 3.721 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000862371885 886334097 /nfs/dbraw/zinc/33/40/97/886334097.db2.gz NIJNEGKTLPDBAR-IBGZPJMESA-N 0 1 394.284 3.721 20 10 GHCDMN CC(C)n1cc(C2=CCCN(Cc3cc(F)c(N(C)C)cc3F)CC2)nn1 ZINC000862386021 886340661 /nfs/dbraw/zinc/34/06/61/886340661.db2.gz IZEQVHCHVXVKCV-UHFFFAOYSA-N 0 1 375.467 3.883 20 10 GHCDMN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(Br)ccc3[O-])c2c1 ZINC000808451234 886361921 /nfs/dbraw/zinc/36/19/21/886361921.db2.gz IWICSIFLGLMNBD-UHFFFAOYSA-N 0 1 390.237 3.877 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](Cc2ccccc2)C(C)C)c1 ZINC000915794769 887453394 /nfs/dbraw/zinc/45/33/94/887453394.db2.gz DKTIRXLNNWIVEX-UHFFFAOYSA-N 0 1 396.531 3.838 20 10 GHCDMN Cc1cc(CCNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)n1-c1ccccc1 ZINC000762997593 887523239 /nfs/dbraw/zinc/52/32/39/887523239.db2.gz CHUCOPAYKHMZOW-MRXNPFEDSA-N 0 1 394.523 3.939 20 10 GHCDMN CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000809713299 887734335 /nfs/dbraw/zinc/73/43/35/887734335.db2.gz LWSUMJQGYFOBEN-WCQYABFASA-N 0 1 392.240 3.611 20 10 GHCDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809771069 887761577 /nfs/dbraw/zinc/76/15/77/887761577.db2.gz CNBWPGRWYDWHGR-FZMZJTMJSA-N 0 1 385.302 3.642 20 10 GHCDMN CC[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223188 888298877 /nfs/dbraw/zinc/29/88/77/888298877.db2.gz FJKHVAMBZOHPME-QGZVFWFLSA-N 0 1 396.409 3.890 20 10 GHCDMN COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000810255356 888358951 /nfs/dbraw/zinc/35/89/51/888358951.db2.gz JSAGLFOWWKHTCL-ZUOKHONESA-N 0 1 379.884 3.707 20 10 GHCDMN C[C@@H](NC[C@H](n1cncn1)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866434430 888874593 /nfs/dbraw/zinc/87/45/93/888874593.db2.gz TWQXCLUHHBUNLJ-DYVFJYSZSA-N 0 1 385.409 3.862 20 10 GHCDMN Oc1ccccc1[C@H](CCc1ccccc1)NCc1nnc(C2CCOCC2)[nH]1 ZINC000866439960 888879344 /nfs/dbraw/zinc/87/93/44/888879344.db2.gz BPKUSBVKAJYDMX-FQEVSTJZSA-N 0 1 392.503 3.868 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841752839 889128073 /nfs/dbraw/zinc/12/80/73/889128073.db2.gz QCHVCHBAOXSSCI-GFCCVEGCSA-N 0 1 398.887 3.575 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)C3(Cc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001132899498 889754257 /nfs/dbraw/zinc/75/42/57/889754257.db2.gz WYOYYVQJDOYRCM-UHFFFAOYSA-N 0 1 397.950 3.731 20 10 GHCDMN CC1(C)C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811777232 889949567 /nfs/dbraw/zinc/94/95/67/889949567.db2.gz AZFVAIUZFBGUJC-UGKGYDQZSA-N 0 1 381.472 3.718 20 10 GHCDMN C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)c(Cl)c1O ZINC000812741142 890923224 /nfs/dbraw/zinc/92/32/24/890923224.db2.gz KNCUGTIQCDNRSR-LBPRGKRZSA-N 0 1 394.302 3.804 20 10 GHCDMN COc1ccc(F)cc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000812746913 890929383 /nfs/dbraw/zinc/92/93/83/890929383.db2.gz LRCDLWDWNUBERG-GJZGRUSLSA-N 0 1 376.447 3.877 20 10 GHCDMN CC[N@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H](C)OC ZINC000812809298 891002408 /nfs/dbraw/zinc/00/24/08/891002408.db2.gz UUEHZVGUFOXTPE-VIFPVBQESA-N 0 1 381.108 3.774 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386762 891892207 /nfs/dbraw/zinc/89/22/07/891892207.db2.gz QEGSCHIISMQHBU-KRWDZBQOSA-N 0 1 395.253 3.618 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386762 891892214 /nfs/dbraw/zinc/89/22/14/891892214.db2.gz QEGSCHIISMQHBU-KRWDZBQOSA-N 0 1 395.253 3.618 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825843067 892917855 /nfs/dbraw/zinc/91/78/55/892917855.db2.gz LFSFBPHOBQBDSA-GFCCVEGCSA-N 0 1 398.322 3.799 20 10 GHCDMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n[nH]1 ZINC000288624932 913822786 /nfs/dbraw/zinc/82/27/86/913822786.db2.gz QLVCAFRFGMOREB-CHWSQXEVSA-N 0 1 390.919 3.563 20 10 GHCDMN CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000127220894 894416624 /nfs/dbraw/zinc/41/66/24/894416624.db2.gz CMPIFROCAJZGNJ-QGZVFWFLSA-N 0 1 399.560 3.704 20 10 GHCDMN CSc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000127220894 894416633 /nfs/dbraw/zinc/41/66/33/894416633.db2.gz CMPIFROCAJZGNJ-QGZVFWFLSA-N 0 1 399.560 3.704 20 10 GHCDMN O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484616 894854333 /nfs/dbraw/zinc/85/43/33/894854333.db2.gz JJHCZVSHQVXBME-UHFFFAOYSA-N 0 1 380.822 3.672 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](F)Cc1ccccc1 ZINC000778391687 894864999 /nfs/dbraw/zinc/86/49/99/894864999.db2.gz WTKNHZHPMFMYAS-OALUTQOASA-N 0 1 390.886 3.707 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816521125 894876302 /nfs/dbraw/zinc/87/63/02/894876302.db2.gz HREFSBQKAWXMOQ-KXBFYZLASA-N 0 1 386.492 3.659 20 10 GHCDMN O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)c1ccccc1 ZINC000816499777 894879130 /nfs/dbraw/zinc/87/91/30/894879130.db2.gz ZWAAJVMPFSPXAN-CQSZACIVSA-N 0 1 376.859 3.827 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000816509606 894888058 /nfs/dbraw/zinc/88/80/58/894888058.db2.gz WLPAFTBCOAGHSW-UHFFFAOYSA-N 0 1 378.860 3.512 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC000935991531 894963947 /nfs/dbraw/zinc/96/39/47/894963947.db2.gz HMXFNTJIPCMHBU-YEORSEQZSA-N 0 1 395.290 3.776 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000816682506 895020922 /nfs/dbraw/zinc/02/09/22/895020922.db2.gz ZQXPMCXRXPKAAP-OAHLLOKOSA-N 0 1 393.270 3.758 20 10 GHCDMN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817958097 895978267 /nfs/dbraw/zinc/97/82/67/895978267.db2.gz HJZRRCRHAAQFFJ-UFBFGSQYSA-N 0 1 380.124 3.551 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915219 914031774 /nfs/dbraw/zinc/03/17/74/914031774.db2.gz ZILZDTCOFVDARH-FUHWJXTLSA-N 0 1 390.411 3.536 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc(Br)ccc1[O-] ZINC000883263424 897417089 /nfs/dbraw/zinc/41/70/89/897417089.db2.gz SGNSYKJQHRWYBN-ZFWWWQNUSA-N 0 1 384.314 3.781 20 10 GHCDMN C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000883290629 897456607 /nfs/dbraw/zinc/45/66/07/897456607.db2.gz AOOODOJLYJRYCB-LJQANCHMSA-N 0 1 389.547 3.690 20 10 GHCDMN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000823162585 898883066 /nfs/dbraw/zinc/88/30/66/898883066.db2.gz ZSIRVNNQFNNRSD-OAHLLOKOSA-N 0 1 389.437 3.562 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000823767451 899239758 /nfs/dbraw/zinc/23/97/58/899239758.db2.gz GFOFOZZVNDSPKK-VNQPRFMTSA-N 0 1 381.234 3.976 20 10 GHCDMN O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825102966 899952878 /nfs/dbraw/zinc/95/28/78/899952878.db2.gz UFJYYDXZQMZWSX-UHFFFAOYSA-N 0 1 389.293 3.567 20 10 GHCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000825144466 900004830 /nfs/dbraw/zinc/00/48/30/900004830.db2.gz NWBZCDFXZFKHSD-GFCCVEGCSA-N 0 1 391.265 3.962 20 10 GHCDMN COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825203059 900025030 /nfs/dbraw/zinc/02/50/30/900025030.db2.gz DSJVSIATJBXDHK-OAHLLOKOSA-N 0 1 377.282 3.532 20 10 GHCDMN Cc1cc(C(=O)CN2CCC3(CC3(F)F)CC2)c(C)n1-c1ccc(F)cn1 ZINC000844408000 900837474 /nfs/dbraw/zinc/83/74/74/900837474.db2.gz BOWOHNBIJHKCBE-UHFFFAOYSA-N 0 1 377.410 3.932 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886299099 900924263 /nfs/dbraw/zinc/92/42/63/900924263.db2.gz PWLZYYJCYLLQBS-CQSZACIVSA-N 0 1 384.314 3.610 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CCc2cccnc21 ZINC000886506435 901095498 /nfs/dbraw/zinc/09/54/98/901095498.db2.gz SASPZLIAKAXYLZ-GOSISDBHSA-N 0 1 377.410 3.714 20 10 GHCDMN COc1cc2c(cc1OC)CN(Cc1cc(Br)c(F)cc1O)CC2 ZINC001144299904 901650732 /nfs/dbraw/zinc/65/07/32/901650732.db2.gz LYLMBCDCIWDENS-UHFFFAOYSA-N 0 1 396.256 3.869 20 10 GHCDMN O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307911 901698133 /nfs/dbraw/zinc/69/81/33/901698133.db2.gz LNOKGZMOPFBNQZ-CYBMUJFWSA-N 0 1 378.241 3.999 20 10 GHCDMN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639299 914612876 /nfs/dbraw/zinc/61/28/76/914612876.db2.gz AUUXONOKCSQQQF-KDOFPFPSSA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639299 914612888 /nfs/dbraw/zinc/61/28/88/914612888.db2.gz AUUXONOKCSQQQF-KDOFPFPSSA-N 0 1 384.314 3.562 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cc(Br)ccc1[O-] ZINC000846216930 902793295 /nfs/dbraw/zinc/79/32/95/902793295.db2.gz YCXQIBAIYBNTET-NHYWBVRUSA-N 0 1 377.282 3.582 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)cc2)CC1 ZINC000846281136 902844026 /nfs/dbraw/zinc/84/40/26/902844026.db2.gz TVWSWMSXHIKIPE-DEOSSOPVSA-N 0 1 394.515 3.530 20 10 GHCDMN COc1ccc(OC)c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000889699139 904715922 /nfs/dbraw/zinc/71/59/22/904715922.db2.gz WELAXTYVHCRLIB-UHFFFAOYSA-N 0 1 385.464 3.892 20 10 GHCDMN COc1ccc(C(=O)N2CCC([NH2+]Cc3cc4ccccc4cc3[O-])CC2)cc1 ZINC001173401467 906428470 /nfs/dbraw/zinc/42/84/70/906428470.db2.gz IACDYXCGEOQPHH-UHFFFAOYSA-N 0 1 390.483 3.948 20 10 GHCDMN C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1[O-] ZINC000185291610 907748545 /nfs/dbraw/zinc/74/85/45/907748545.db2.gz DXNLVIPBFOLIAS-JTQLQIEISA-N 0 1 381.236 3.832 20 10 GHCDMN CN(CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)CC1(O)CCOCC1 ZINC000189786685 908376227 /nfs/dbraw/zinc/37/62/27/908376227.db2.gz DDQCJXNPVXPNLO-WCWDXBQESA-N 0 1 382.464 3.514 20 10 GHCDMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC001177938381 908825306 /nfs/dbraw/zinc/82/53/06/908825306.db2.gz QTDZGOLDLWIDQY-DOMZBBRYSA-N 0 1 384.904 3.896 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NCc2c(O)ccc(Cl)c2F)C1 ZINC001178731035 909207351 /nfs/dbraw/zinc/20/73/51/909207351.db2.gz KSDGOKUNMUMKDC-ZDUSSCGKSA-N 0 1 394.821 3.919 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2c(O)ccc(Cl)c2F)C1 ZINC001178730934 909207370 /nfs/dbraw/zinc/20/73/70/909207370.db2.gz KSDGOKUNMUMKDC-CYBMUJFWSA-N 0 1 394.821 3.919 20 10 GHCDMN CCc1nc([C@@H]2CCCCN2Cc2cc(Br)cc(F)c2O)no1 ZINC001180253543 910048286 /nfs/dbraw/zinc/04/82/86/910048286.db2.gz PFEBHYOVPZLVAO-ZDUSSCGKSA-N 0 1 384.249 3.966 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000246439365 910295324 /nfs/dbraw/zinc/29/53/24/910295324.db2.gz DCQQLQGMJHGAHI-UYAOXDASSA-N 0 1 375.415 3.961 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000246439365 910295341 /nfs/dbraw/zinc/29/53/41/910295341.db2.gz DCQQLQGMJHGAHI-UYAOXDASSA-N 0 1 375.415 3.961 20 10 GHCDMN CCOCc1cc(CN[C@H](CO)c2ccc(Br)cc2)ccc1OC ZINC000270962385 910740318 /nfs/dbraw/zinc/74/03/18/910740318.db2.gz AYFXSDKQQFGPCJ-GOSISDBHSA-N 0 1 394.309 3.817 20 10 GHCDMN COc1ccc(O)c([C@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000274225087 911268134 /nfs/dbraw/zinc/26/81/34/911268134.db2.gz OPCLKXYICGXHCJ-LBPRGKRZSA-N 0 1 390.281 3.970 20 10 GHCDMN Cc1ccc(O)c(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000091889964 911317766 /nfs/dbraw/zinc/31/77/66/911317766.db2.gz WURACQXCYWRTLV-QGZVFWFLSA-N 0 1 378.476 3.629 20 10 GHCDMN CCn1nc(CNCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc21 ZINC000274488450 911349778 /nfs/dbraw/zinc/34/97/78/911349778.db2.gz ZJWGPMLCCRTRTP-UHFFFAOYSA-N 0 1 378.520 3.555 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC001182796062 912027038 /nfs/dbraw/zinc/02/70/38/912027038.db2.gz PAYAZCMYCZIAJY-ZDUSSCGKSA-N 0 1 398.812 3.964 20 10 GHCDMN Cc1cc(Br)cc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000361986433 917014588 /nfs/dbraw/zinc/01/45/88/917014588.db2.gz OJSLDVIUHUDXMY-LBPRGKRZSA-N 0 1 379.302 3.632 20 10 GHCDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000006463880 917027875 /nfs/dbraw/zinc/02/78/75/917027875.db2.gz SVQCGNGVZCYBJT-UHFFFAOYSA-N 0 1 391.836 3.520 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(F)cc3OC3CCOCC3)cc2)CC1 ZINC000796469604 917570787 /nfs/dbraw/zinc/57/07/87/917570787.db2.gz IVSDNCGIGAYUAN-UHFFFAOYSA-N 0 1 399.510 3.747 20 10 GHCDMN O=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)(=O)CC1CCCC1 ZINC001191535968 918049455 /nfs/dbraw/zinc/04/94/55/918049455.db2.gz TYUUBCCVZDLMDG-UHFFFAOYSA-N 0 1 378.881 3.898 20 10 GHCDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccc1O ZINC001191753905 918199110 /nfs/dbraw/zinc/19/91/10/918199110.db2.gz FPXUPGWWYATJEX-UHFFFAOYSA-N 0 1 390.244 3.595 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000775489138 918259098 /nfs/dbraw/zinc/25/90/98/918259098.db2.gz NIGNGNCNMOVMDB-RHSMWYFYSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)ccc1[O-] ZINC000775508829 918440707 /nfs/dbraw/zinc/44/07/07/918440707.db2.gz XPBRTOQGPGDXIR-INWMFGNUSA-N 0 1 383.330 3.842 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCC(F)(F)C1 ZINC000800519723 920239845 /nfs/dbraw/zinc/23/98/45/920239845.db2.gz UQWLIGQIERTTEJ-XJKSGUPXSA-N 0 1 386.870 3.952 20 10 GHCDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1[O-] ZINC000802658644 922315944 /nfs/dbraw/zinc/31/59/44/922315944.db2.gz LFLMRVCUIOLTFD-GOOCMWNKSA-N 0 1 376.298 3.799 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@@]12CCCN2Cc1c(O)cccc1Br ZINC001276076836 925236313 /nfs/dbraw/zinc/23/63/13/925236313.db2.gz HZGYQBIWWBGMSP-IBGZPJMESA-N 0 1 393.325 3.664 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827311247 925240376 /nfs/dbraw/zinc/24/03/76/925240376.db2.gz XJNKCUHOVLQUQD-QBUQCISBSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311247 925240381 /nfs/dbraw/zinc/24/03/81/925240381.db2.gz XJNKCUHOVLQUQD-QBUQCISBSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311247 925240383 /nfs/dbraw/zinc/24/03/83/925240383.db2.gz XJNKCUHOVLQUQD-QBUQCISBSA-N 0 1 385.895 3.543 20 10 GHCDMN CCCCN1CC[C@@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276078983 925263873 /nfs/dbraw/zinc/26/38/73/925263873.db2.gz VCROARLCVTWOKY-SFHVURJKSA-N 0 1 381.314 3.522 20 10 GHCDMN O=C(C[C@@H]1CCC2(CCC2)O1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440404 925796508 /nfs/dbraw/zinc/79/65/08/925796508.db2.gz VEVPIYNNFLGCRL-MSOLQXFVSA-N 0 1 392.927 3.618 20 10 GHCDMN Cc1cc(C(=O)CN(C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749834562 927303880 /nfs/dbraw/zinc/30/38/80/927303880.db2.gz CDGBVFWVCYPHEV-KRWDZBQOSA-N 0 1 396.487 3.506 20 10 GHCDMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000751475539 928211501 /nfs/dbraw/zinc/21/15/01/928211501.db2.gz MMXONJQIJKUQNN-UHFFFAOYSA-N 0 1 392.290 3.834 20 10 GHCDMN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c2ccccc12 ZINC000758774312 930162772 /nfs/dbraw/zinc/16/27/72/930162772.db2.gz PLGDRFHWLMQAFE-UHFFFAOYSA-N 0 1 385.441 3.948 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669040 931972683 /nfs/dbraw/zinc/97/26/83/931972683.db2.gz BEWAARRQRBUYJO-HAQNSBGRSA-N 0 1 393.119 3.653 20 10 GHCDMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2Br)ccc1O ZINC000797820251 932416823 /nfs/dbraw/zinc/41/68/23/932416823.db2.gz NOXMCFCFJJDBFR-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN CC[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2[O-])CCCO1 ZINC000798964910 932843064 /nfs/dbraw/zinc/84/30/64/932843064.db2.gz RATJMBWKBGLATQ-LBPRGKRZSA-N 0 1 393.119 3.918 20 10 GHCDMN Cc1cc(C(=O)CN2CCC3(CCC(O)CC3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000830334923 935931950 /nfs/dbraw/zinc/93/19/50/935931950.db2.gz PXZHYPOPYZWTLJ-UHFFFAOYSA-N 0 1 399.510 3.828 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001203568779 1027438236 /nfs/dbraw/zinc/43/82/36/1027438236.db2.gz WWTYHYDTHXAVBC-CQSZACIVSA-N 0 1 391.103 3.672 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001203568779 1027438242 /nfs/dbraw/zinc/43/82/42/1027438242.db2.gz WWTYHYDTHXAVBC-CQSZACIVSA-N 0 1 391.103 3.672 20 10 GHCDMN CN(C)c1cc(F)c(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1F ZINC001598306440 991265158 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[O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001140467099 1021762708 /nfs/dbraw/zinc/76/27/08/1021762708.db2.gz LTJSVOSNTUAQEM-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001140467099 1021762725 /nfs/dbraw/zinc/76/27/25/1021762725.db2.gz LTJSVOSNTUAQEM-PZJWPPBQSA-N 0 1 388.895 3.781 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC[C@@H](F)C3)cc2)CC1 ZINC001140481677 1021783461 /nfs/dbraw/zinc/78/34/61/1021783461.db2.gz ZWBXNUAWYDJSPB-GOSISDBHSA-N 0 1 377.504 3.678 20 10 GHCDMN COc1cc2c(cc1OC)CN(Cc1ccc(N3CCC(OC)CC3)cc1)CC2 ZINC000827360704 1022079095 /nfs/dbraw/zinc/07/90/95/1022079095.db2.gz NLZXCDUMULPPNI-UHFFFAOYSA-N 0 1 396.531 3.877 20 10 GHCDMN Cc1ccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c(O)c1 ZINC001140949698 1022970483 /nfs/dbraw/zinc/97/04/83/1022970483.db2.gz GULVPUXTDYWFGW-HXUWFJFHSA-N 0 1 381.520 3.833 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000836615424 1023170760 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GHCDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000756491664 1023683134 /nfs/dbraw/zinc/68/31/34/1023683134.db2.gz XGFBQCQUYSTUMS-JTQLQIEISA-N 0 1 381.226 3.922 20 10 GHCDMN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756547252 1023708490 /nfs/dbraw/zinc/70/84/90/1023708490.db2.gz WVYGWOLKQHRQKD-ZIAGYGMSSA-N 0 1 393.453 3.973 20 10 GHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000756546962 1023708950 /nfs/dbraw/zinc/70/89/50/1023708950.db2.gz WVYGWOLKQHRQKD-KGLIPLIRSA-N 0 1 393.453 3.973 20 10 GHCDMN COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000756635722 1023747709 /nfs/dbraw/zinc/74/77/09/1023747709.db2.gz HGJUIXRALBNZOY-UKRRQHHQSA-N 0 1 379.884 3.565 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc(Oc4ccc(F)cc4)n3)cc2)CC1 ZINC001156660364 1033162873 /nfs/dbraw/zinc/16/28/73/1033162873.db2.gz WBDFNDCMAWIIPO-UHFFFAOYSA-N 0 1 393.466 3.772 20 10 GHCDMN O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138125436 1024169140 /nfs/dbraw/zinc/16/91/40/1024169140.db2.gz PHRZYUJMTPKGBW-QHCPKHFHSA-N 0 1 382.479 3.589 20 10 GHCDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC001141373098 1024760960 /nfs/dbraw/zinc/76/09/60/1024760960.db2.gz NDARBNMBOOFRKZ-MFKMUULPSA-N 0 1 390.705 3.972 20 10 GHCDMN CC(=O)N1CC[C@H]([N@H+](Cc2cc(Cl)cc(Br)c2[O-])C(C)C)C1 ZINC001141375176 1024768816 /nfs/dbraw/zinc/76/88/16/1024768816.db2.gz YLJWMVSQFSINHR-AWEZNQCLSA-N 0 1 389.721 3.639 20 10 GHCDMN CCN(CC)c1ccc(CN2CC(c3ccc(C(=O)OC)cc3)C2)c(OC)c1 ZINC001138392082 1024769153 /nfs/dbraw/zinc/76/91/53/1024769153.db2.gz PBOHFOBFOANLJJ-UHFFFAOYSA-N 0 1 382.504 3.927 20 10 GHCDMN COc1cc(Cl)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1OC ZINC001138747411 1025290085 /nfs/dbraw/zinc/29/00/85/1025290085.db2.gz XCRWOGQDCDYJJW-UHFFFAOYSA-N 0 1 390.911 3.826 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140539 1025636455 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1 397.425 3.736 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140098575 1026874785 /nfs/dbraw/zinc/87/47/85/1026874785.db2.gz FSMDIABLQPKACP-YGRLFVJLSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(O)C(F)(F)F ZINC001140098575 1026874794 /nfs/dbraw/zinc/87/47/94/1026874794.db2.gz FSMDIABLQPKACP-YGRLFVJLSA-N 0 1 382.220 3.680 20 10 GHCDMN CC(C)[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCC(=O)N1 ZINC000840187724 1027327383 /nfs/dbraw/zinc/32/73/83/1027327383.db2.gz XAODYFXLVJDNDW-OAHLLOKOSA-N 0 1 391.309 3.797 20 10 GHCDMN CC(C)[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCC(=O)N1 ZINC000840187724 1027327404 /nfs/dbraw/zinc/32/74/04/1027327404.db2.gz XAODYFXLVJDNDW-OAHLLOKOSA-N 0 1 391.309 3.797 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1CN1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001203579223 1027447166 /nfs/dbraw/zinc/44/71/66/1027447166.db2.gz OSGLKDSWMXTNEK-UHFFFAOYSA-N 0 1 395.334 3.897 20 10 GHCDMN COc1cccc(CN2CCN(Cc3ccncc3)c3nc(C)ccc3C2)c1O 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20 10 GHCDMN CN(C)c1ccc(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cc1 ZINC001203931900 1027724639 /nfs/dbraw/zinc/72/46/39/1027724639.db2.gz MDDADTIFUVRSRS-NZQKXSOJSA-N 0 1 381.520 3.598 20 10 GHCDMN CCc1nc2c(s1)[C@@H](NCc1cc(F)c(N3CCOCC3)c(F)c1)CCC2 ZINC000840761519 1027801142 /nfs/dbraw/zinc/80/11/42/1027801142.db2.gz YVCOUAAXJCFAFR-INIZCTEOSA-N 0 1 393.503 3.988 20 10 GHCDMN COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000840808379 1027846985 /nfs/dbraw/zinc/84/69/85/1027846985.db2.gz KBOOEANEBSWFRA-OCCSQVGLSA-N 0 1 380.282 3.590 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(Cl)c1 ZINC000840884786 1027921264 /nfs/dbraw/zinc/92/12/64/1027921264.db2.gz QBPRQGZVBMSDJQ-UHFFFAOYSA-N 0 1 396.940 3.673 20 10 GHCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(Cl)c1 ZINC000840912318 1027947612 /nfs/dbraw/zinc/94/76/12/1027947612.db2.gz MCUVPVDPLVOJJC-UHFFFAOYSA-N 0 1 392.952 3.986 20 10 GHCDMN CCOc1cccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1O ZINC000179655447 1028802369 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3.659 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CCCN2Cc2cc(Br)cc(C)c2O)C1=O ZINC001276958562 1030941893 /nfs/dbraw/zinc/94/18/93/1030941893.db2.gz IMTHQGFMFIQOLQ-IFXJQAMLSA-N 0 1 395.341 3.829 20 10 GHCDMN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001218582601 1030993504 /nfs/dbraw/zinc/99/35/04/1030993504.db2.gz YERTYWLDRABDHJ-XHXXQLDVSA-N 0 1 392.385 3.536 20 10 GHCDMN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001218581633 1030993672 /nfs/dbraw/zinc/99/36/72/1030993672.db2.gz NOHVJEHIMNWAOC-AMHAOIEOSA-N 0 1 392.385 3.536 20 10 GHCDMN COc1ccc2c(c1)[nH]c(C(=O)N(Cc1ccccc1)c1ccc(N)cc1)cc2=O ZINC001154118938 1031937422 /nfs/dbraw/zinc/93/74/22/1031937422.db2.gz WVGQHCXXHNNBOS-UHFFFAOYSA-N 0 1 399.450 3.966 20 10 GHCDMN CC[N@H+]1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC001229414267 1033469097 /nfs/dbraw/zinc/46/90/97/1033469097.db2.gz LJKYLJYKFVQWOP-FZFLATATSA-N 0 1 391.449 3.527 20 10 GHCDMN CC(C)=CCC[C@H](C)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229776299 1033705678 /nfs/dbraw/zinc/70/56/78/1033705678.db2.gz IDEFJKPOSFAODE-JTQLQIEISA-N 0 1 388.372 3.530 20 10 GHCDMN CC[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(Br)c(C)cc2O)C1=O ZINC001277427948 1033769494 /nfs/dbraw/zinc/76/94/94/1033769494.db2.gz ZFTACQRBJGKUND-KUHUBIRLSA-N 0 1 395.341 3.829 20 10 GHCDMN C[C@@H](C[C@H](C)[NH2+]Cc1c([O-])cccc1Br)NC(=O)OC(C)(C)C ZINC001206418297 1033835116 /nfs/dbraw/zinc/83/51/16/1033835116.db2.gz CIBSYTGTFOPEJD-RYUDHWBXSA-N 0 1 387.318 3.936 20 10 GHCDMN CC[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1F ZINC001230605016 1034144180 /nfs/dbraw/zinc/14/41/80/1034144180.db2.gz FLJDTELHQWWMNT-NRFANRHFSA-N 0 1 384.499 3.528 20 10 GHCDMN CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc(Br)cc1O ZINC001461886351 1069838656 /nfs/dbraw/zinc/83/86/56/1069838656.db2.gz CYWFVAIYIVMZSC-UHFFFAOYSA-N 0 1 393.281 3.624 20 10 GHCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC001231564536 1034715074 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20 10 GHCDMN CCC[N@H+](Cc1cc(I)cc(OC)c1[O-])CC(C)C ZINC001248405762 1035822174 /nfs/dbraw/zinc/82/21/74/1035822174.db2.gz YZXWGNBVSGGOFR-UHFFFAOYSA-N 0 1 377.266 3.873 20 10 GHCDMN CC[C@H]1CCCC[N@@H+]1Cc1cc(I)c(OC)cc1[O-] ZINC001248472217 1035899954 /nfs/dbraw/zinc/89/99/54/1035899954.db2.gz SHMIVFZINQUAOI-LBPRGKRZSA-N 0 1 375.250 3.770 20 10 GHCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(I)c(OC)cc1[O-] ZINC001248472217 1035899972 /nfs/dbraw/zinc/89/99/72/1035899972.db2.gz SHMIVFZINQUAOI-LBPRGKRZSA-N 0 1 375.250 3.770 20 10 GHCDMN COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1I ZINC001248494238 1035913214 /nfs/dbraw/zinc/91/32/14/1035913214.db2.gz NTUAVQQITRINHF-WCQYABFASA-N 0 1 387.261 3.770 20 10 GHCDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001462083363 1069985536 /nfs/dbraw/zinc/98/55/36/1069985536.db2.gz GBKHOPFUWRRSIR-UHFFFAOYSA-N 0 1 389.721 3.546 20 10 GHCDMN CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1c(O)cccc1Br ZINC001462218198 1070092018 /nfs/dbraw/zinc/09/20/18/1070092018.db2.gz GOGAMNYMXJPQQL-ZDUSSCGKSA-N 0 1 385.302 3.598 20 10 GHCDMN CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Br ZINC001462218198 1070092033 /nfs/dbraw/zinc/09/20/33/1070092033.db2.gz GOGAMNYMXJPQQL-ZDUSSCGKSA-N 0 1 385.302 3.598 20 10 GHCDMN CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Br ZINC001462218198 1070092050 /nfs/dbraw/zinc/09/20/50/1070092050.db2.gz GOGAMNYMXJPQQL-ZDUSSCGKSA-N 0 1 385.302 3.598 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001232267084 1037988239 /nfs/dbraw/zinc/98/82/39/1037988239.db2.gz WCFZYAYJOQUFDI-FQEVSTJZSA-N 0 1 396.915 3.887 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1Cl ZINC001232267084 1037988241 /nfs/dbraw/zinc/98/82/41/1037988241.db2.gz WCFZYAYJOQUFDI-FQEVSTJZSA-N 0 1 396.915 3.887 20 10 GHCDMN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232270056 1037993796 /nfs/dbraw/zinc/99/37/96/1037993796.db2.gz RHOTXCZEHZQYET-ZDUSSCGKSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232270056 1037993800 /nfs/dbraw/zinc/99/38/00/1037993800.db2.gz RHOTXCZEHZQYET-ZDUSSCGKSA-N 0 1 384.904 3.743 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1Cl ZINC001277667038 1038238254 /nfs/dbraw/zinc/23/82/54/1038238254.db2.gz XEALTWHRRLHVEJ-IAGOWNOFSA-N 0 1 378.900 3.562 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc1Cl ZINC001277667038 1038238266 /nfs/dbraw/zinc/23/82/66/1038238266.db2.gz XEALTWHRRLHVEJ-IAGOWNOFSA-N 0 1 378.900 3.562 20 10 GHCDMN CCc1noc([C@@H]2CCC[N@@H+](Cc3c([O-])cc(Br)cc3F)C2)n1 ZINC001233030579 1038782241 /nfs/dbraw/zinc/78/22/41/1038782241.db2.gz ZBYZJNNCFMHBGH-SNVBAGLBSA-N 0 1 384.249 3.619 20 10 GHCDMN [O-]c1c(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)ccc(F)c1F ZINC001233076937 1038842235 /nfs/dbraw/zinc/84/22/35/1038842235.db2.gz YFRKKGHWYILRHF-UHFFFAOYSA-N 0 1 385.389 3.867 20 10 GHCDMN COc1cc(Cl)cc(CN2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001233287965 1039067410 /nfs/dbraw/zinc/06/74/10/1039067410.db2.gz PFXUQULAFGKNAH-CZUORRHYSA-N 0 1 396.915 3.886 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cccc1C(F)(F)F ZINC001233417308 1039274939 /nfs/dbraw/zinc/27/49/39/1039274939.db2.gz PQNLFTXTPWBNEK-KXBFYZLASA-N 0 1 394.393 3.618 20 10 GHCDMN O=C1Nc2ccccc2C12CC[NH+](Cc1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001233451826 1039333358 /nfs/dbraw/zinc/33/33/58/1039333358.db2.gz ANBRERQHMDAPPQ-UHFFFAOYSA-N 0 1 376.378 3.897 20 10 GHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001233453716 1039340534 /nfs/dbraw/zinc/34/05/34/1039340534.db2.gz QVVKDRLUSMGMAJ-CZUORRHYSA-N 0 1 397.466 3.964 20 10 GHCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001233453716 1039340551 /nfs/dbraw/zinc/34/05/51/1039340551.db2.gz QVVKDRLUSMGMAJ-CZUORRHYSA-N 0 1 397.466 3.964 20 10 GHCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1F ZINC001233454880 1039347249 /nfs/dbraw/zinc/34/72/49/1039347249.db2.gz NIVIIJDAUWUGQP-ZIAGYGMSSA-N 0 1 392.393 3.848 20 10 GHCDMN Oc1c(CN2CCN(Cc3ccccc3F)CC2)cccc1OC(F)(F)F ZINC001233754714 1039592306 /nfs/dbraw/zinc/59/23/06/1039592306.db2.gz JGWVQOHVSLYBDY-UHFFFAOYSA-N 0 1 384.373 3.748 20 10 GHCDMN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cc(OC)cc1Cl)CC2 ZINC001277830045 1039814483 /nfs/dbraw/zinc/81/44/83/1039814483.db2.gz MHKUPKLODVLOLV-BBRMVZONSA-N 0 1 380.916 3.571 20 10 GHCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OC(C)C)c1 ZINC001234714254 1040244941 /nfs/dbraw/zinc/24/49/41/1040244941.db2.gz HDZCNPGLAIYTLL-UHFFFAOYSA-N 0 1 384.520 3.951 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N3CC[C@]3(C)C3CCCCC3)cc2)CC1 ZINC001254716954 1040476310 /nfs/dbraw/zinc/47/63/10/1040476310.db2.gz YYWZYRARTDGISV-HSZRJFAPSA-N 0 1 384.568 3.693 20 10 GHCDMN Oc1c(CN2CCc3onc(Cn4ccnc4)c3C2)cccc1-c1ccccc1 ZINC001235002309 1040494455 /nfs/dbraw/zinc/49/44/55/1040494455.db2.gz OYBQOEWRJQGVPS-UHFFFAOYSA-N 0 1 386.455 3.850 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1cc(Br)cc(F)c1O ZINC001235066751 1040557514 /nfs/dbraw/zinc/55/75/14/1040557514.db2.gz MIHPTICOUAQSCO-ZDUSSCGKSA-N 0 1 389.265 3.693 20 10 GHCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001235069143 1040560054 /nfs/dbraw/zinc/56/00/54/1040560054.db2.gz PRFKOYBOZLVODS-UHFFFAOYSA-N 0 1 395.272 3.870 20 10 GHCDMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cc3ccccc3cc1[O-])CCO2 ZINC001254809261 1040567227 /nfs/dbraw/zinc/56/72/27/1040567227.db2.gz ADOXLMSLGDJFFZ-LJQANCHMSA-N 0 1 398.503 3.804 20 10 GHCDMN CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235302397 1040773808 /nfs/dbraw/zinc/77/38/08/1040773808.db2.gz PYDYMPCQTOWEGV-SFHVURJKSA-N 0 1 399.304 3.661 20 10 GHCDMN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cc(F)cc(Br)c1O ZINC001235307909 1040782318 /nfs/dbraw/zinc/78/23/18/1040782318.db2.gz MKGWFHFWLODVBF-INIZCTEOSA-N 0 1 393.256 3.897 20 10 GHCDMN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1N1CCN(C)CC1 ZINC001255176236 1040887848 /nfs/dbraw/zinc/88/78/48/1040887848.db2.gz SURBLZAQHSBISO-GOSISDBHSA-N 0 1 395.551 3.696 20 10 GHCDMN C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236216427 1041625970 /nfs/dbraw/zinc/62/59/70/1041625970.db2.gz KRBNKPKICQVUJY-STQMWFEESA-N 0 1 381.236 3.875 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@H]1CCCC[C@@H]1N ZINC001236216427 1041625979 /nfs/dbraw/zinc/62/59/79/1041625979.db2.gz KRBNKPKICQVUJY-STQMWFEESA-N 0 1 381.236 3.875 20 10 GHCDMN COc1cc([O-])c(CN(Cc2ccccc2F)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236352264 1041678924 /nfs/dbraw/zinc/67/89/24/1041678924.db2.gz COWWDTRIPRNFCX-HNNXBMFYSA-N 0 1 378.875 3.948 20 10 GHCDMN Cc1cc(Br)c([O-])c(CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236440108 1041711894 /nfs/dbraw/zinc/71/18/94/1041711894.db2.gz NBVZIRUDFSIMOJ-QGZVFWFLSA-N 0 1 390.325 3.612 20 10 GHCDMN Cc1cc(Br)c([O-])c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c1 ZINC001236669385 1041816762 /nfs/dbraw/zinc/81/67/62/1041816762.db2.gz GGXYWJYWKMSHEM-DLBZAZTESA-N 0 1 385.321 3.861 20 10 GHCDMN COc1cc(O)c(CN2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)cc1OC ZINC001236749831 1041872277 /nfs/dbraw/zinc/87/22/77/1041872277.db2.gz AFWXPVGKQLAHQZ-MJXNMMHHSA-N 0 1 390.505 3.526 20 10 GHCDMN O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]2C1 ZINC001236794573 1041899919 /nfs/dbraw/zinc/89/99/19/1041899919.db2.gz YAYTVUVKVOSFJR-OKILXGFUSA-N 0 1 397.327 3.965 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)c(Cl)c1 ZINC001236797751 1041901582 /nfs/dbraw/zinc/90/15/82/1041901582.db2.gz AQLAFGQPHJVHAN-UHFFFAOYSA-N 0 1 390.842 3.679 20 10 GHCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001236799173 1041902362 /nfs/dbraw/zinc/90/23/62/1041902362.db2.gz ZJFSVBNXZPKYAL-SUMWQHHRSA-N 0 1 393.940 3.607 20 10 GHCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(Cl)c1 ZINC001236799173 1041902363 /nfs/dbraw/zinc/90/23/63/1041902363.db2.gz ZJFSVBNXZPKYAL-SUMWQHHRSA-N 0 1 393.940 3.607 20 10 GHCDMN COc1ccc(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c(O)c1Cl ZINC001236802293 1041904103 /nfs/dbraw/zinc/90/41/03/1041904103.db2.gz RUYBBCDQRIKVKG-HNNXBMFYSA-N 0 1 393.915 3.560 20 10 GHCDMN Clc1cc(N2CCOCC2)ccc1CN1CCN(CCc2ccccc2)CC1 ZINC001236926030 1041960966 /nfs/dbraw/zinc/96/09/66/1041960966.db2.gz DMFLNDSGZJSFNS-UHFFFAOYSA-N 0 1 399.966 3.537 20 10 GHCDMN Cc1ccc([C@@]2(C)CN(Cc3ccc(N4CCN(C)CC4)cc3F)CCO2)cc1 ZINC001236938285 1041964889 /nfs/dbraw/zinc/96/48/89/1041964889.db2.gz LEDPUTSBJJCDHU-XMMPIXPASA-N 0 1 397.538 3.634 20 10 GHCDMN COc1ccccc1N1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237050672 1042009303 /nfs/dbraw/zinc/00/93/03/1042009303.db2.gz DRNAKAIOLWMQFI-UHFFFAOYSA-N 0 1 396.409 3.664 20 10 GHCDMN O=C(C1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1)N1CCCCC1 ZINC001237112048 1042044571 /nfs/dbraw/zinc/04/45/71/1042044571.db2.gz ZILNDHTWLCTOKL-UHFFFAOYSA-N 0 1 386.414 3.515 20 10 GHCDMN O=C1OC2(CCN(Cc3c(O)cccc3OC(F)(F)F)CC2)c2ccccc21 ZINC001237121978 1042049661 /nfs/dbraw/zinc/04/96/61/1042049661.db2.gz DBFXEKVXLDREGK-UHFFFAOYSA-N 0 1 393.361 3.953 20 10 GHCDMN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cc(C(F)(F)F)ccc3O)O2)n1 ZINC001237135953 1042058279 /nfs/dbraw/zinc/05/82/79/1042058279.db2.gz OEKUBGLQYPPRTB-FVQBIDKESA-N 0 1 383.370 3.597 20 10 GHCDMN COc1cc(OC2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)ccn1 ZINC001237143768 1042062910 /nfs/dbraw/zinc/06/29/10/1042062910.db2.gz OCTLFZFPZKMQIM-UHFFFAOYSA-N 0 1 382.382 3.858 20 10 GHCDMN CCCCN(CCCC)c1ccc(CN2CCN(c3cnccn3)CC2)c(O)c1 ZINC001237215057 1042093842 /nfs/dbraw/zinc/09/38/42/1042093842.db2.gz JDJVZPXZMAANJS-UHFFFAOYSA-N 0 1 397.567 3.911 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3ccc4[nH]c(C(=O)OC)cc4c3)CC2)cc1 ZINC001237315210 1042142664 /nfs/dbraw/zinc/14/26/64/1042142664.db2.gz YWWUGWXPJUYZBF-UHFFFAOYSA-N 0 1 393.487 3.675 20 10 GHCDMN Cc1nc(COC[C@H]2Cn3ccnc3CN(Cc3c(C)cccc3O)C2)cs1 ZINC001237489796 1042232422 /nfs/dbraw/zinc/23/24/22/1042232422.db2.gz JVJRMRRAZMPUMH-QGZVFWFLSA-N 0 1 398.532 3.511 20 10 GHCDMN CCOC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)Cc2cnn(CC3CC3)c21 ZINC001237617469 1042284088 /nfs/dbraw/zinc/28/40/88/1042284088.db2.gz AEGWOBXUCJWWOE-MRXNPFEDSA-N 0 1 393.890 3.927 20 10 GHCDMN CCn1ncc2c1CN(Cc1cc(Cl)cc(F)c1O)C[C@H]2COCC1CC1 ZINC001237618726 1042285042 /nfs/dbraw/zinc/28/50/42/1042285042.db2.gz LKLVWQFNFBGPLO-HNNXBMFYSA-N 0 1 393.890 3.927 20 10 GHCDMN CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237618340 1042285308 /nfs/dbraw/zinc/28/53/08/1042285308.db2.gz ICSFHLIANVRXCW-UHFFFAOYSA-N 0 1 393.890 3.886 20 10 GHCDMN NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622214 1042288689 /nfs/dbraw/zinc/28/86/89/1042288689.db2.gz OVMQQNQGRJIHDC-QZTJIDSGSA-N 0 1 376.859 3.808 20 10 GHCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237624651 1042290641 /nfs/dbraw/zinc/29/06/41/1042290641.db2.gz XRIUKUQZPVSRQM-LJQANCHMSA-N 0 1 392.902 3.908 20 10 GHCDMN COc1cc(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)c(O)c(OC)c1 ZINC001237679834 1042320272 /nfs/dbraw/zinc/32/02/72/1042320272.db2.gz FPEICRXADNMFHW-JLSDUUJJSA-N 0 1 391.508 3.884 20 10 GHCDMN Cc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)cc1Br ZINC001237682000 1042322543 /nfs/dbraw/zinc/32/25/43/1042322543.db2.gz VMOILLHYUCGCFM-CABCVRRESA-N 0 1 387.277 3.631 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001237780952 1042365772 /nfs/dbraw/zinc/36/57/72/1042365772.db2.gz ZLCNTNFBEUNVFO-HNNXBMFYSA-N 0 1 380.229 3.729 20 10 GHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2[O-])[C@@H]1CO ZINC001237784952 1042368203 /nfs/dbraw/zinc/36/82/03/1042368203.db2.gz ZPHRXMZICWUCQA-NOZJJQNGSA-N 0 1 382.220 3.766 20 10 GHCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237801190 1042377442 /nfs/dbraw/zinc/37/74/42/1042377442.db2.gz SGGGFWKKOUWQMJ-WBVHZDCISA-N 0 1 375.875 3.534 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001237938275 1042428886 /nfs/dbraw/zinc/42/88/86/1042428886.db2.gz WGUDXDUYDPPNPR-DOTOQJQBSA-N 0 1 376.859 3.522 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001237938275 1042428890 /nfs/dbraw/zinc/42/88/90/1042428890.db2.gz WGUDXDUYDPPNPR-DOTOQJQBSA-N 0 1 376.859 3.522 20 10 GHCDMN O=[N+]([O-])c1cc(CN[C@H](CCO)c2cccs2)ccc1N1CCCCC1 ZINC000740900425 1044198865 /nfs/dbraw/zinc/19/88/65/1044198865.db2.gz PDOAJKBDZZIRGL-MRXNPFEDSA-N 0 1 375.494 3.860 20 10 GHCDMN CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001279073281 1044386863 /nfs/dbraw/zinc/38/68/63/1044386863.db2.gz AGWWBTKOJPWASA-CWRNSKLLSA-N 0 1 380.916 3.866 20 10 GHCDMN Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(-n2cccc2)s1 ZINC001303083975 1047274631 /nfs/dbraw/zinc/27/46/31/1047274631.db2.gz BTBFTJFEEHCQAK-UHFFFAOYSA-N 0 1 394.544 3.529 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC001288330505 1049045764 /nfs/dbraw/zinc/04/57/64/1049045764.db2.gz NLDXALXBFMVRIA-MSOLQXFVSA-N 0 1 397.485 3.813 20 10 GHCDMN C[C@H]1CN(Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC001308196169 1049908435 /nfs/dbraw/zinc/90/84/35/1049908435.db2.gz DBDGLAGWDSUAIL-GJZGRUSLSA-N 0 1 376.447 3.569 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC001308263280 1049929779 /nfs/dbraw/zinc/92/97/79/1049929779.db2.gz NUCDBKLKOCXLQC-CYBMUJFWSA-N 0 1 392.627 3.910 20 10 GHCDMN OC[C@@H](NCc1c(O)cccc1Br)c1ccccc1C(F)(F)F ZINC001308532129 1050000985 /nfs/dbraw/zinc/00/09/85/1050000985.db2.gz HUEAAAPYDNRMMN-CQSZACIVSA-N 0 1 390.199 3.997 20 10 GHCDMN OC[C@H](NCc1c(O)cccc1Br)c1ccccc1C(F)(F)F ZINC001308532127 1050001002 /nfs/dbraw/zinc/00/10/02/1050001002.db2.gz HUEAAAPYDNRMMN-AWEZNQCLSA-N 0 1 390.199 3.997 20 10 GHCDMN O=C([O-])[C@H](CSCCOc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756378357 1051059918 /nfs/dbraw/zinc/05/99/18/1051059918.db2.gz DXOVEAJHKWDQER-HNNXBMFYSA-N 0 1 399.871 3.540 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)cc2)CC1 ZINC001313211065 1052986080 /nfs/dbraw/zinc/98/60/80/1052986080.db2.gz MCNZGUPJZQSFNK-SFTDATJTSA-N 0 1 386.584 3.843 20 10 GHCDMN CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001313213086 1052986759 /nfs/dbraw/zinc/98/67/59/1052986759.db2.gz ZHYKGXHGHXCOLR-UHFFFAOYSA-N 0 1 386.565 3.620 20 10 GHCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702749 1055409713 /nfs/dbraw/zinc/40/97/13/1055409713.db2.gz SHLZYNBGCVVLGN-QHCPKHFHSA-N 0 1 383.511 3.541 20 10 GHCDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001320387235 1055782221 /nfs/dbraw/zinc/78/22/21/1055782221.db2.gz SCQXJPQIGUZLJG-FXAWDEMLSA-N 0 1 382.504 3.508 20 10 GHCDMN Cc1cc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c(C)n1-c1cccc(Cl)c1 ZINC000848276346 1056965203 /nfs/dbraw/zinc/96/52/03/1056965203.db2.gz PGANPVFOYNSQOL-KRWDZBQOSA-N 0 1 399.882 3.647 20 10 GHCDMN C[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001323451311 1056971851 /nfs/dbraw/zinc/97/18/51/1056971851.db2.gz FNIOHDCXGXXBBQ-CQSZACIVSA-N 0 1 393.119 3.512 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(Br)cc1[O-] ZINC000848557935 1057177726 /nfs/dbraw/zinc/17/77/26/1057177726.db2.gz IHWHNPJMKVLXCF-ZBEGNZNMSA-N 0 1 375.266 3.759 20 10 GHCDMN Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c2ccccc21 ZINC001445887506 1059647550 /nfs/dbraw/zinc/64/75/50/1059647550.db2.gz UUGYYTPSYXJJBC-QGZVFWFLSA-N 0 1 397.906 3.932 20 10 GHCDMN Cn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c2ccccc21 ZINC001445887506 1059647556 /nfs/dbraw/zinc/64/75/56/1059647556.db2.gz UUGYYTPSYXJJBC-QGZVFWFLSA-N 0 1 397.906 3.932 20 10 GHCDMN Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c2ccccc21 ZINC001445887506 1059647566 /nfs/dbraw/zinc/64/75/66/1059647566.db2.gz UUGYYTPSYXJJBC-QGZVFWFLSA-N 0 1 397.906 3.932 20 10 GHCDMN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)c(O)c3)cc2F)C[C@H](C)O1 ZINC001464307063 1064949788 /nfs/dbraw/zinc/94/97/88/1064949788.db2.gz AHCQLOVNLDABMF-STQMWFEESA-N 0 1 392.858 3.728 20 10 GHCDMN COc1ccc([C@H](CCO)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000763495887 1068072908 /nfs/dbraw/zinc/07/29/08/1068072908.db2.gz JIMSSVWMCKATRR-FQEVSTJZSA-N 0 1 399.491 3.807 20 10 GHCDMN CC[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC001478283536 1078797110 /nfs/dbraw/zinc/79/71/10/1078797110.db2.gz HRSBZKDGLATPES-OAQYLSRUSA-N 0 1 384.499 3.528 20 10 GHCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC001474366919 1074367031 /nfs/dbraw/zinc/36/70/31/1074367031.db2.gz HMZRRYRTSAYJAB-INIZCTEOSA-N 0 1 393.256 3.531 20 10 GHCDMN NC(=O)NCc1ccc(NCc2cc(Cl)cc(Br)c2O)cc1 ZINC001474394860 1074382841 /nfs/dbraw/zinc/38/28/41/1074382841.db2.gz PTFXQMKWPMQHQW-UHFFFAOYSA-N 0 1 384.661 3.589 20 10 GHCDMN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncc(Br)cc1[O-] ZINC001474506374 1074437876 /nfs/dbraw/zinc/43/78/76/1074437876.db2.gz WJNLGNVPFXWWMT-UHFFFAOYSA-N 0 1 376.298 3.782 20 10 GHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncc(Br)cc1[O-] ZINC001474506374 1074437879 /nfs/dbraw/zinc/43/78/79/1074437879.db2.gz WJNLGNVPFXWWMT-UHFFFAOYSA-N 0 1 376.298 3.782 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001474741226 1074541046 /nfs/dbraw/zinc/54/10/46/1074541046.db2.gz HYPOGVIIPIOVEL-HNNXBMFYSA-N 0 1 388.309 3.843 20 10 GHCDMN COc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1O ZINC000737132386 598887490 /nfs/dbraw/zinc/88/74/90/598887490.db2.gz LLUOGYRJPJIAOB-UHFFFAOYSA-N 0 1 393.472 3.599 20 10 GHCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)nc(Cl)c1)Cc1cc(Cl)ccc1O ZINC000739793135 600145035 /nfs/dbraw/zinc/14/50/35/600145035.db2.gz AIYGSXVLBHQSHH-UHFFFAOYSA-N 0 1 375.639 3.834 20 10 GHCDMN CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000824293436 608580081 /nfs/dbraw/zinc/58/00/81/608580081.db2.gz LQUJSHYPCLFMQO-UHFFFAOYSA-N 0 1 375.835 3.775 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(CC(F)(F)F)C2)C1 ZINC000683492635 837406419 /nfs/dbraw/zinc/40/64/19/837406419.db2.gz PYMFXTCCAIHTPC-UHFFFAOYSA-N 0 1 393.453 3.819 20 10 GHCDMN CCC1(O)CCC(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000683498357 837409680 /nfs/dbraw/zinc/40/96/80/837409680.db2.gz KHYKFBSVNVSUOO-UHFFFAOYSA-N 0 1 397.563 3.608 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1O ZINC000255953822 837818422 /nfs/dbraw/zinc/81/84/22/837818422.db2.gz UECNFVYYXIASFN-GUDVDZBRSA-N 0 1 382.504 3.591 20 10 GHCDMN CN(Cc1cnc(N2CCOCC2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000155242978 836648364 /nfs/dbraw/zinc/64/83/64/836648364.db2.gz DTDUASXSKVZGIP-UHFFFAOYSA-N 0 1 386.565 3.602 20 10 GHCDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(Oc2cnccn2)CC1)CCCC3 ZINC000782888905 838281719 /nfs/dbraw/zinc/28/17/19/838281719.db2.gz ZQIYACABGTWDSJ-UHFFFAOYSA-N 0 1 379.460 3.851 20 10 GHCDMN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000180602267 838617916 /nfs/dbraw/zinc/61/79/16/838617916.db2.gz NDUNFKZUTGUKFY-PKNBQFBNSA-N 0 1 388.467 3.609 20 10 GHCDMN CC(=O)N1Cc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc2C1 ZINC000376789760 838737930 /nfs/dbraw/zinc/73/79/30/838737930.db2.gz ZYFIUNHLJSIDHW-UHFFFAOYSA-N 0 1 394.258 3.883 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc(-c2ccc(Cl)cc2)n1 ZINC000728700221 839438265 /nfs/dbraw/zinc/43/82/65/839438265.db2.gz ZEKRIPWJVGQZNY-YBEGLDIGSA-N 0 1 381.844 3.925 20 10 GHCDMN CN1CCN(c2ccc(CNc3ncc(Cl)c(C(F)(F)F)n3)cc2)CC1 ZINC001167423451 839894195 /nfs/dbraw/zinc/89/41/95/839894195.db2.gz ZVDJFILEQDFZHS-UHFFFAOYSA-N 0 1 385.821 3.513 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4c[nH]c(=S)[nH]4)cc3)cc2)CC1 ZINC001167431106 840033557 /nfs/dbraw/zinc/03/35/57/840033557.db2.gz HGKCUMHBAZNRKP-UHFFFAOYSA-N 0 1 379.533 3.729 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(OCC(F)(F)F)cc3)cc2)CC1 ZINC001167434750 840187485 /nfs/dbraw/zinc/18/74/85/840187485.db2.gz VTNDXVMKCJBVEY-UHFFFAOYSA-N 0 1 379.426 3.992 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000925775516 843645615 /nfs/dbraw/zinc/64/56/15/843645615.db2.gz GWQCQARMXWUTHF-BDAKNGLRSA-N 0 1 383.664 3.704 20 10 GHCDMN Cc1nocc1Cc1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000896746234 861581948 /nfs/dbraw/zinc/58/19/48/861581948.db2.gz RWSIERAXYCJJJB-UHFFFAOYSA-N 0 1 391.475 3.726 20 10 GHCDMN COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)c(O)c1OC ZINC000892102776 845802415 /nfs/dbraw/zinc/80/24/15/845802415.db2.gz GNLTZVSELAMIRW-UHFFFAOYSA-N 0 1 393.505 3.781 20 10 GHCDMN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2SC)c(O)c1OC ZINC000892102776 845802424 /nfs/dbraw/zinc/80/24/24/845802424.db2.gz GNLTZVSELAMIRW-UHFFFAOYSA-N 0 1 393.505 3.781 20 10 GHCDMN COCCOc1ccc(N2CCN([C@@H]3Cc4cccc(Cl)c4C3)CC2)cc1 ZINC001168742147 861740177 /nfs/dbraw/zinc/74/01/77/861740177.db2.gz DFGRHXNUIACRPF-LJQANCHMSA-N 0 1 386.923 3.655 20 10 GHCDMN COCC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000272654232 847136643 /nfs/dbraw/zinc/13/66/43/847136643.db2.gz QHSFENRPTYPWHR-LPHOPBHVSA-N 0 1 376.472 3.992 20 10 GHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273613464 847385965 /nfs/dbraw/zinc/38/59/65/847385965.db2.gz WVFOSRYRTSWXBD-STQMWFEESA-N 0 1 382.913 3.708 20 10 GHCDMN COc1cccc(NC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000731852511 861908876 /nfs/dbraw/zinc/90/88/76/861908876.db2.gz SDPMVPNDCWYZQD-KRWDZBQOSA-N 0 1 389.883 3.840 20 10 GHCDMN O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731856874 861911904 /nfs/dbraw/zinc/91/19/04/861911904.db2.gz UZSVIADAKJPLSC-SFHVURJKSA-N 0 1 377.444 3.604 20 10 GHCDMN CN1CCCc2cc(CNC(=O)c3n[nH]c4ccc(Br)cc43)ccc21 ZINC000732063831 862051575 /nfs/dbraw/zinc/05/15/75/862051575.db2.gz JBUIBOOXWFDBLV-UHFFFAOYSA-N 0 1 399.292 3.638 20 10 GHCDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)c1ccncc1 ZINC000435871763 850947129 /nfs/dbraw/zinc/94/71/29/850947129.db2.gz UVRHDYWYLXTIQE-UHFFFAOYSA-N 0 1 376.504 3.856 20 10 GHCDMN CC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(F)(F)F ZINC000436001131 851095978 /nfs/dbraw/zinc/09/59/78/851095978.db2.gz FIBPGSMVYZMGPV-SFHVURJKSA-N 0 1 381.442 3.865 20 10 GHCDMN Cc1cc(N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccn1 ZINC000436038901 851135058 /nfs/dbraw/zinc/13/50/58/851135058.db2.gz DODFQIJIGKICHT-UHFFFAOYSA-N 0 1 376.504 3.774 20 10 GHCDMN Cc1ccc(Br)cc1NC(=O)CNCc1ccc(N(C)C)c(F)c1 ZINC000733327898 862868524 /nfs/dbraw/zinc/86/85/24/862868524.db2.gz ZTOYHNVUUQKMER-UHFFFAOYSA-N 0 1 394.288 3.691 20 10 GHCDMN Oc1cc(O)c(CCNc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1O ZINC001168014615 858221421 /nfs/dbraw/zinc/22/14/21/858221421.db2.gz VPXCVLMEKABUQQ-UHFFFAOYSA-N 0 1 376.456 3.974 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000733800498 859338750 /nfs/dbraw/zinc/33/87/50/859338750.db2.gz WDERJVJABQVVTD-HNNXBMFYSA-N 0 1 384.785 3.960 20 10 GHCDMN NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cc2)CC1 ZINC000895815025 859978766 /nfs/dbraw/zinc/97/87/66/859978766.db2.gz XIEXRPKVLPFVBI-UHFFFAOYSA-N 0 1 389.499 3.537 20 10 GHCDMN Cc1ccc2c(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000153028621 881556000 /nfs/dbraw/zinc/55/60/00/881556000.db2.gz OJHZXYKRCAIBSL-UHFFFAOYSA-N 0 1 392.499 3.878 20 10 GHCDMN COC(=O)[C@H]1CC12CCN(CC(=O)c1cc(C)n(-c3ccccc3)c1C)CC2 ZINC000733796142 863189375 /nfs/dbraw/zinc/18/93/75/863189375.db2.gz QLAPLPFGFSVZHK-HXUWFJFHSA-N 0 1 380.488 3.552 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cccc4c3OC(C)(C)C4)SC2=S)CC1 ZINC000172417939 863580891 /nfs/dbraw/zinc/58/08/91/863580891.db2.gz BNOVMMPBZGNOLY-LFIBNONCSA-N 0 1 388.558 3.696 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CC2(F)F)C1 ZINC000622195879 864846334 /nfs/dbraw/zinc/84/63/34/864846334.db2.gz XWPZOOUGDOUTNY-OAHLLOKOSA-N 0 1 375.463 3.569 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000185110620 865289086 /nfs/dbraw/zinc/28/90/86/865289086.db2.gz ONBTXBXCJJVBFW-HNNXBMFYSA-N 0 1 384.501 3.647 20 10 GHCDMN Cc1cc(C(=O)CN2CCCN(C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000737971997 865460660 /nfs/dbraw/zinc/46/06/60/865460660.db2.gz MPEJWAKRBJVOBU-UHFFFAOYSA-N 0 1 377.891 3.707 20 10 GHCDMN COC(=O)C[C@](C)(NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccncc1 ZINC000793088364 881919669 /nfs/dbraw/zinc/91/96/69/881919669.db2.gz LKXKEGVLJKIIBD-IBGZPJMESA-N 0 1 395.425 3.735 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)[C@@]3(C)CCC(C)=C(C)C3)CC2)cc1 ZINC001124516654 866622816 /nfs/dbraw/zinc/62/28/16/866622816.db2.gz KRNPYSILNVARSD-DEOSSOPVSA-N 0 1 399.579 3.850 20 10 GHCDMN CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710732 866746508 /nfs/dbraw/zinc/74/65/08/866746508.db2.gz HCJCJBKRVZUQRX-SFHVURJKSA-N 0 1 383.540 3.913 20 10 GHCDMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000743380199 868174900 /nfs/dbraw/zinc/17/49/00/868174900.db2.gz IPZROUFYZDJMIM-HTAPYJJXSA-N 0 1 388.552 3.828 20 10 GHCDMN Cc1ccccc1C[C@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841668 868439725 /nfs/dbraw/zinc/43/97/25/868439725.db2.gz QUQIBKPQVYCIFT-IBGZPJMESA-N 0 1 379.548 3.773 20 10 GHCDMN CCN(CC(=O)NCc1ccccc1C)Cc1cc(Br)ccc1O ZINC000743871195 868468481 /nfs/dbraw/zinc/46/84/81/868468481.db2.gz VYZZIUMRSHEHCW-UHFFFAOYSA-N 0 1 391.309 3.601 20 10 GHCDMN CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cc(Br)ccc1O ZINC000743872263 868470020 /nfs/dbraw/zinc/47/00/20/868470020.db2.gz SVGLEYBIBLNZEM-CZUORRHYSA-N 0 1 383.330 3.672 20 10 GHCDMN Cc1cccc(OCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857471823 882285011 /nfs/dbraw/zinc/28/50/11/882285011.db2.gz BTBGKXBLINACIK-SFHVURJKSA-N 0 1 388.895 3.514 20 10 GHCDMN CCOc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857473021 882287061 /nfs/dbraw/zinc/28/70/61/882287061.db2.gz RMBDHINBDSXUBY-SFHVURJKSA-N 0 1 388.895 3.839 20 10 GHCDMN COCCN1CCCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000920744524 882324939 /nfs/dbraw/zinc/32/49/39/882324939.db2.gz OFDLPKPTMZOFMC-UHFFFAOYSA-N 0 1 389.927 3.542 20 10 GHCDMN COc1ccc(Cn2nc(C)c(CNCc3ccc4c(c3)CCO4)c2C)cc1 ZINC000766426545 870736940 /nfs/dbraw/zinc/73/69/40/870736940.db2.gz KJGIGLDCIUDVAI-UHFFFAOYSA-N 0 1 377.488 3.782 20 10 GHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCOc2ccc(Br)cc2C1 ZINC001193613001 871189078 /nfs/dbraw/zinc/18/90/78/871189078.db2.gz WRDRDPMRIGTMID-UHFFFAOYSA-N 0 1 398.640 3.549 20 10 GHCDMN COc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000069714781 871435276 /nfs/dbraw/zinc/43/52/76/871435276.db2.gz RDAVVGIGPPWJST-UHFFFAOYSA-N 0 1 380.410 3.840 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000857757964 882519819 /nfs/dbraw/zinc/51/98/19/882519819.db2.gz YQBSZZRKAWEJHZ-KRWDZBQOSA-N 0 1 396.535 3.950 20 10 GHCDMN Cc1cc(CCNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001169944283 872032412 /nfs/dbraw/zinc/03/24/12/872032412.db2.gz QQESWHIKOVFSFQ-NYHFZMIOSA-N 0 1 376.504 3.842 20 10 GHCDMN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1[O-] ZINC000775643059 872219079 /nfs/dbraw/zinc/21/90/79/872219079.db2.gz LWATVHZGXLSXBP-UHFFFAOYSA-N 0 1 383.673 3.879 20 10 GHCDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)n1 ZINC001195260935 872289843 /nfs/dbraw/zinc/28/98/43/872289843.db2.gz AZWSOVDXWUTNDA-WCWDXBQESA-N 0 1 379.376 3.960 20 10 GHCDMN CC[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cc(Br)ccc1O ZINC000857875719 882604951 /nfs/dbraw/zinc/60/49/51/882604951.db2.gz ZBZDGOFJYQKCHJ-WMZOPIPTSA-N 0 1 389.293 3.909 20 10 GHCDMN CCc1cccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000768013824 873025588 /nfs/dbraw/zinc/02/55/88/873025588.db2.gz XFQHHFVSHDJTBD-UHFFFAOYSA-N 0 1 399.560 3.582 20 10 GHCDMN CCCN(Cc1ccccc1Br)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441115 873306064 /nfs/dbraw/zinc/30/60/64/873306064.db2.gz VOVWLGZETLQLRG-GOSISDBHSA-N 0 1 392.293 3.993 20 10 GHCDMN COc1ccc(CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)(C)C)cc1 ZINC000768447848 873310540 /nfs/dbraw/zinc/31/05/40/873310540.db2.gz QGDWCSVDPYKDJM-NRFANRHFSA-N 0 1 385.504 3.917 20 10 GHCDMN COc1ccc(CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)(C)C)cc1 ZINC000768447848 873310554 /nfs/dbraw/zinc/31/05/54/873310554.db2.gz QGDWCSVDPYKDJM-NRFANRHFSA-N 0 1 385.504 3.917 20 10 GHCDMN COc1ccc(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)c(O)c1 ZINC000794390583 882746202 /nfs/dbraw/zinc/74/62/02/882746202.db2.gz MEVGJZIUERBKFO-UHFFFAOYSA-N 0 1 379.441 3.936 20 10 GHCDMN CO[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccccc1 ZINC000768911765 873679898 /nfs/dbraw/zinc/67/98/98/873679898.db2.gz IMDQYLDCQAUQEN-ICSRJNTNSA-N 0 1 388.895 3.514 20 10 GHCDMN C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc(Br)cc1[O-] ZINC000528003682 873873174 /nfs/dbraw/zinc/87/31/74/873873174.db2.gz LLVSYVKTNDVTKA-ZBEGNZNMSA-N 0 1 375.266 3.632 20 10 GHCDMN CCCN(CCC)c1ccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000769389418 874016333 /nfs/dbraw/zinc/01/63/33/874016333.db2.gz OBPVQLURABWKJZ-UHFFFAOYSA-N 0 1 395.613 3.559 20 10 GHCDMN Cc1cc(C)cc(C(=O)c2ccccc2NS(=O)(=O)Cc2ccccn2)c1 ZINC001197835776 874064489 /nfs/dbraw/zinc/06/44/89/874064489.db2.gz XLHCKLVLTBIYLQ-UHFFFAOYSA-N 0 1 380.469 3.871 20 10 GHCDMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837820 874334928 /nfs/dbraw/zinc/33/49/28/874334928.db2.gz UKJBPJOYZIEWPR-CYBMUJFWSA-N 0 1 389.521 3.507 20 10 GHCDMN CCC(CC)C(=O)N1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858100443 882844747 /nfs/dbraw/zinc/84/47/47/882844747.db2.gz HIPGGBUTJMLDJN-UHFFFAOYSA-N 0 1 383.330 3.672 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770385696 874668577 /nfs/dbraw/zinc/66/85/77/874668577.db2.gz JZRZAPWHKZWAPS-NEPJUHHUSA-N 0 1 399.875 3.689 20 10 GHCDMN CCOc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(F)cc1OC ZINC000858108363 882853209 /nfs/dbraw/zinc/85/32/09/882853209.db2.gz DCDUHYGKNXYNLB-INIZCTEOSA-N 0 1 388.483 3.920 20 10 GHCDMN Fc1cc(CNCc2cc(Cl)cc3c2OCC3)ccc1N1CCOCC1 ZINC001199412460 874975409 /nfs/dbraw/zinc/97/54/09/874975409.db2.gz HYJRNWGWFMUPSK-UHFFFAOYSA-N 0 1 376.859 3.540 20 10 GHCDMN CN(C)c1ccc(CNC[C@H](n2cccn2)C(F)(F)F)c(C(F)(F)F)c1 ZINC000858209111 882941422 /nfs/dbraw/zinc/94/14/22/882941422.db2.gz CITQNQSIJMUJBW-AWEZNQCLSA-N 0 1 380.336 3.861 20 10 GHCDMN O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCCN1C1CCCCC1 ZINC000785547239 876099843 /nfs/dbraw/zinc/09/98/43/876099843.db2.gz DTAFMULOMIRJTJ-INIZCTEOSA-N 0 1 381.314 3.568 20 10 GHCDMN Cc1cccc(N(C)C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000825536095 876271609 /nfs/dbraw/zinc/27/16/09/876271609.db2.gz FUKCYCPOTWRJDD-HNNXBMFYSA-N 0 1 384.480 3.719 20 10 GHCDMN COc1ccc2c(c1)nc(CNCc1cc(OC)cc(C(C)(C)C)c1O)n2C ZINC000850250561 876758012 /nfs/dbraw/zinc/75/80/12/876758012.db2.gz VNKNSRIHVLGUFQ-UHFFFAOYSA-N 0 1 383.492 3.883 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cncc(Br)c1 ZINC000850424042 876906042 /nfs/dbraw/zinc/90/60/42/876906042.db2.gz FYYJAGYZMHNRFG-CYBMUJFWSA-N 0 1 394.288 3.671 20 10 GHCDMN C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cc(Br)ccc1[O-] ZINC000850485282 876958761 /nfs/dbraw/zinc/95/87/61/876958761.db2.gz CSLODINPXLDVAB-MRVPVSSYSA-N 0 1 376.176 3.814 20 10 GHCDMN COc1ccc(N2CC[C@H](N[C@@H](C)c3nnn(-c4ccc(C)cc4)c3C)C2)cc1 ZINC000850487546 876962472 /nfs/dbraw/zinc/96/24/72/876962472.db2.gz IDOOGRPBXYYCPP-HKUYNNGSSA-N 0 1 391.519 3.822 20 10 GHCDMN CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1cc(Br)ccc1[O-] ZINC000850503343 876978067 /nfs/dbraw/zinc/97/80/67/876978067.db2.gz WLEHDOAZEIWCRU-JSQNDZKTSA-N 0 1 386.330 3.762 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000850541189 877009585 /nfs/dbraw/zinc/00/95/85/877009585.db2.gz SRYGYAJZEZFVDG-JDFRZJQESA-N 0 1 378.314 3.950 20 10 GHCDMN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(Br)c1 ZINC000109773034 877428550 /nfs/dbraw/zinc/42/85/50/877428550.db2.gz IEORWJRMBIVTQP-CYBMUJFWSA-N 0 1 377.282 3.922 20 10 GHCDMN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000179630299 877765877 /nfs/dbraw/zinc/76/58/77/877765877.db2.gz VYDINYLJCFALMO-UHFFFAOYSA-N 0 1 377.282 3.842 20 10 GHCDMN COC(=O)C[C@@](C)(NCc1ccc(N2CCCCC2)c(C)c1)c1ccncc1 ZINC000852045311 878046469 /nfs/dbraw/zinc/04/64/69/878046469.db2.gz VWHFKCNVJCIJGQ-HSZRJFAPSA-N 0 1 381.520 3.948 20 10 GHCDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852128541 878089305 /nfs/dbraw/zinc/08/93/05/878089305.db2.gz RFPDZCVHKPODJA-CQSZACIVSA-N 0 1 399.926 3.592 20 10 GHCDMN C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(Cl)c(Cl)c1O ZINC000788608597 878166162 /nfs/dbraw/zinc/16/61/62/878166162.db2.gz KGJVYTGDKFGBOX-LLVKDONJSA-N 0 1 394.302 3.716 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093684992 912384112 /nfs/dbraw/zinc/38/41/12/912384112.db2.gz PTWJFZUWCNSEMD-GFCCVEGCSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093684992 912384132 /nfs/dbraw/zinc/38/41/32/912384132.db2.gz PTWJFZUWCNSEMD-GFCCVEGCSA-N 0 1 378.822 3.668 20 10 GHCDMN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000180765328 879296173 /nfs/dbraw/zinc/29/61/73/879296173.db2.gz KGSCHXCLCLKTRI-XJKSGUPXSA-N 0 1 387.421 3.630 20 10 GHCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000790415802 879697362 /nfs/dbraw/zinc/69/73/62/879697362.db2.gz NHOKLKUWGRIJRQ-GFCCVEGCSA-N 0 1 399.896 3.823 20 10 GHCDMN COc1ccc(N2CCN(Cc3cc4c(cccc4O)s3)CC2)c(OC)c1 ZINC001183419226 912503719 /nfs/dbraw/zinc/50/37/19/912503719.db2.gz JTSPPLXBIFGFKR-UHFFFAOYSA-N 0 1 384.501 3.946 20 10 GHCDMN Cc1csc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CCCC2)n1 ZINC000112711053 880092185 /nfs/dbraw/zinc/09/21/85/880092185.db2.gz GIQPZZMWZSDZMW-UHFFFAOYSA-N 0 1 375.513 3.986 20 10 GHCDMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2O)cn1 ZINC000792188845 880975744 /nfs/dbraw/zinc/97/57/44/880975744.db2.gz MAICJNAKNKOBQA-OAQYLSRUSA-N 0 1 385.895 3.998 20 10 GHCDMN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])cn1 ZINC000792188845 880975748 /nfs/dbraw/zinc/97/57/48/880975748.db2.gz MAICJNAKNKOBQA-OAQYLSRUSA-N 0 1 385.895 3.998 20 10 GHCDMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2[O-])cn1 ZINC000792188845 880975755 /nfs/dbraw/zinc/97/57/55/880975755.db2.gz MAICJNAKNKOBQA-OAQYLSRUSA-N 0 1 385.895 3.998 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000792237360 880996698 /nfs/dbraw/zinc/99/66/98/880996698.db2.gz BRXNCMOWVRSUNR-MRXNPFEDSA-N 0 1 399.878 3.890 20 10 GHCDMN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c(O)cc(Cl)cc1Cl ZINC000856212571 881047790 /nfs/dbraw/zinc/04/77/90/881047790.db2.gz NCDYQDCBSGQOLQ-UHFFFAOYSA-N 0 1 395.286 3.590 20 10 GHCDMN CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1c(C)nn(C)c1C ZINC000805161398 883606901 /nfs/dbraw/zinc/60/69/01/883606901.db2.gz PMTYWJBVRORZFT-CQSZACIVSA-N 0 1 385.295 4.000 20 10 GHCDMN Cc1cccc2[nH]c(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)nc21 ZINC000805245368 883688796 /nfs/dbraw/zinc/68/87/96/883688796.db2.gz NGIXCCALLPIFQK-UHFFFAOYSA-N 0 1 379.247 3.883 20 10 GHCDMN CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242006 912815102 /nfs/dbraw/zinc/81/51/02/912815102.db2.gz PKBRBBNAGKGFFU-BBRMVZONSA-N 0 1 395.341 3.672 20 10 GHCDMN NC(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000860238118 884468117 /nfs/dbraw/zinc/46/81/17/884468117.db2.gz MJZVITOWBXSACN-IBGZPJMESA-N 0 1 394.479 3.563 20 10 GHCDMN Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)c(F)cc4[O-])C3)CC2=O)s1 ZINC001142520179 884474109 /nfs/dbraw/zinc/47/41/09/884474109.db2.gz CRSSJABHGNEIMD-LJQANCHMSA-N 0 1 378.444 3.669 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275248901 912832250 /nfs/dbraw/zinc/83/22/50/912832250.db2.gz UXPILQXRESHJCW-AWEZNQCLSA-N 0 1 390.833 3.716 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1Cl ZINC000807512996 885498048 /nfs/dbraw/zinc/49/80/48/885498048.db2.gz FQYIKBLJFQLTAN-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN CC(C)NC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807835228 885798450 /nfs/dbraw/zinc/79/84/50/885798450.db2.gz AKPKTCHILROGMX-UHFFFAOYSA-N 0 1 381.259 3.767 20 10 GHCDMN CCc1nc(-c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)n[nH]1 ZINC000807836229 885800797 /nfs/dbraw/zinc/80/07/97/885800797.db2.gz SPGUEYTUZMIRMF-UHFFFAOYSA-N 0 1 391.258 3.977 20 10 GHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(=O)c1ccccc1 ZINC000807837589 885802637 /nfs/dbraw/zinc/80/26/37/885802637.db2.gz WTNFOAZAACCKDZ-LLVKDONJSA-N 0 1 381.259 3.524 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000807838434 885803975 /nfs/dbraw/zinc/80/39/75/885803975.db2.gz RKLRYAHIGZNHJH-QGZVFWFLSA-N 0 1 379.287 3.980 20 10 GHCDMN CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807839283 885805947 /nfs/dbraw/zinc/80/59/47/885805947.db2.gz AYZOUTSFZGSHCS-UHFFFAOYSA-N 0 1 389.279 3.620 20 10 GHCDMN Oc1c(Br)cc(Br)cc1CN1CCO[C@H](C2CC2)C1 ZINC000777221990 885876105 /nfs/dbraw/zinc/87/61/05/885876105.db2.gz OXGVPQFKOYOJII-ZDUSSCGKSA-N 0 1 391.103 3.528 20 10 GHCDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc(Cl)c2O1 ZINC000808115816 886026572 /nfs/dbraw/zinc/02/65/72/886026572.db2.gz UBVVKRJAEPPWEH-ZETCQYMHSA-N 0 1 392.235 3.962 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000862023520 886060267 /nfs/dbraw/zinc/06/02/67/886060267.db2.gz ABVXVIKVKCGFLC-AVRDEDQJSA-N 0 1 395.547 3.993 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237262 886236399 /nfs/dbraw/zinc/23/63/99/886236399.db2.gz KWLNHASUGPYLHG-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862237262 886236420 /nfs/dbraw/zinc/23/64/20/886236420.db2.gz KWLNHASUGPYLHG-GFCCVEGCSA-N 0 1 385.302 3.501 20 10 GHCDMN COC(=O)c1cnc(C2CC[NH+](Cc3c([O-])cc(C)cc3Cl)CC2)s1 ZINC000862473973 886396558 /nfs/dbraw/zinc/39/65/58/886396558.db2.gz JTJBNPJOVYIMLA-UHFFFAOYSA-N 0 1 380.897 3.977 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000747516412 886589506 /nfs/dbraw/zinc/58/95/06/886589506.db2.gz LVRHIIYYURTORR-UHFFFAOYSA-N 0 1 390.237 3.800 20 10 GHCDMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000863340247 887044925 /nfs/dbraw/zinc/04/49/25/887044925.db2.gz MCYBSTPTMTZDJS-LLHWWHOWSA-N 0 1 386.536 3.605 20 10 GHCDMN CC(C)C(=O)N1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809550586 887566500 /nfs/dbraw/zinc/56/65/00/887566500.db2.gz UXPZCIGUKDQOQR-UHFFFAOYSA-N 0 1 391.559 3.940 20 10 GHCDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc3c(c1)CCN3Cc1ccccc1)CCO2 ZINC000809656768 887664384 /nfs/dbraw/zinc/66/43/84/887664384.db2.gz JRSAYLFVNIABCZ-YADARESESA-N 0 1 378.516 3.629 20 10 GHCDMN CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212796 888290823 /nfs/dbraw/zinc/29/08/23/888290823.db2.gz YUOPFGYYJAFPOB-QGZVFWFLSA-N 0 1 396.409 3.890 20 10 GHCDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(Br)ccc1[O-] ZINC000810245491 888345704 /nfs/dbraw/zinc/34/57/04/888345704.db2.gz CUVPXJKELKOEPI-BOFPYLFWSA-N 0 1 376.294 3.972 20 10 GHCDMN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cc2cc(C)[nH]n2)cc1 ZINC000153800406 888620567 /nfs/dbraw/zinc/62/05/67/888620567.db2.gz ODWILIZJHLWNTG-UHFFFAOYSA-N 0 1 378.476 3.569 20 10 GHCDMN COc1cccc2c1OCCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000866237262 888791819 /nfs/dbraw/zinc/79/18/19/888791819.db2.gz HEBDXSDFZWKCCZ-LJQANCHMSA-N 0 1 386.467 3.674 20 10 GHCDMN O=C([N-]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000811514963 889711620 /nfs/dbraw/zinc/71/16/20/889711620.db2.gz SFNSPKAEIZBODM-KRWDZBQOSA-N 0 1 383.458 3.567 20 10 GHCDMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000811514963 889711631 /nfs/dbraw/zinc/71/16/31/889711631.db2.gz SFNSPKAEIZBODM-KRWDZBQOSA-N 0 1 383.458 3.567 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccco2)c1 ZINC000872633529 891289642 /nfs/dbraw/zinc/28/96/42/891289642.db2.gz KHFCVCQNHQEWTD-QFIPXVFZSA-N 0 1 398.503 3.603 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC(C)(C)[C@@H]2c2ccco2)c1 ZINC000872633529 891289654 /nfs/dbraw/zinc/28/96/54/891289654.db2.gz KHFCVCQNHQEWTD-QFIPXVFZSA-N 0 1 398.503 3.603 20 10 GHCDMN Cc1ccc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)cc1 ZINC000872639859 891293021 /nfs/dbraw/zinc/29/30/21/891293021.db2.gz PZVPAPYFEMGMFO-UHFFFAOYSA-N 0 1 375.472 3.643 20 10 GHCDMN CC(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)C)cc1Cl)CC2 ZINC001275370662 913591498 /nfs/dbraw/zinc/59/14/98/913591498.db2.gz PXDUFKGKPOEJTF-SFHVURJKSA-N 0 1 377.960 3.780 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]2C(F)(F)F)C1 ZINC000615028872 891796704 /nfs/dbraw/zinc/79/67/04/891796704.db2.gz DAJNZDDGTKNMTJ-GOSISDBHSA-N 0 1 379.426 3.571 20 10 GHCDMN Fc1ccc(C2(NCc3ccc(N4CCOCC4)cc3)CCOCC2)c(F)c1 ZINC000124786153 891941142 /nfs/dbraw/zinc/94/11/42/891941142.db2.gz ICJSFLHAXUGFFV-UHFFFAOYSA-N 0 1 388.458 3.597 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000918184254 893320852 /nfs/dbraw/zinc/32/08/52/893320852.db2.gz JASDSWJTFPQJAF-JOCHJYFZSA-N 0 1 398.551 3.644 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000825954817 893560660 /nfs/dbraw/zinc/56/06/60/893560660.db2.gz BCEDAECQAVLWJF-ZDUSSCGKSA-N 0 1 379.273 3.910 20 10 GHCDMN O=C1CCCCN1C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000126615926 893721915 /nfs/dbraw/zinc/72/19/15/893721915.db2.gz XXFZCVHXAKSNMC-UHFFFAOYSA-N 0 1 382.504 3.994 20 10 GHCDMN CO[C@H]1C[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688709 893764262 /nfs/dbraw/zinc/76/42/62/893764262.db2.gz VLVQQPYHGUCGGT-PMACEKPBSA-N 0 1 375.472 3.550 20 10 GHCDMN CO[C@H]1C[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])Cc3cccnc3N2C1 ZINC000877688709 893764267 /nfs/dbraw/zinc/76/42/67/893764267.db2.gz VLVQQPYHGUCGGT-PMACEKPBSA-N 0 1 375.472 3.550 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])[C@H]1n1cccn1 ZINC000826089634 894810912 /nfs/dbraw/zinc/81/09/12/894810912.db2.gz MAIXIIVAZVFBFM-DJIMGWMZSA-N 0 1 394.313 3.638 20 10 GHCDMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816489391 894855430 /nfs/dbraw/zinc/85/54/30/894855430.db2.gz TUUJSTBZTLOYNI-ZDUSSCGKSA-N 0 1 377.847 3.739 20 10 GHCDMN O=C(c1cc2occc2s1)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816515273 894892588 /nfs/dbraw/zinc/89/25/88/894892588.db2.gz URNYUTSJCIJWRX-UHFFFAOYSA-N 0 1 394.855 3.950 20 10 GHCDMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cn2)C[C@@H](C)O1 ZINC000816535619 894906451 /nfs/dbraw/zinc/90/64/51/894906451.db2.gz UUJHOFUPVKXPGU-IAGOWNOFSA-N 0 1 377.488 3.844 20 10 GHCDMN CC(C)n1cncc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818180105 896062434 /nfs/dbraw/zinc/06/24/34/896062434.db2.gz RYBKEXFUPMHCQY-UHFFFAOYSA-N 0 1 382.430 3.609 20 10 GHCDMN COC(OC)c1ccc(F)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000818182913 896097687 /nfs/dbraw/zinc/09/76/87/896097687.db2.gz MKNHFXAYAGZGQK-MRXNPFEDSA-N 0 1 388.483 3.805 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@H](N[C@@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148600 914057722 /nfs/dbraw/zinc/05/77/22/914057722.db2.gz GDNSZXFDXLJNGF-QFBILLFUSA-N 0 1 399.445 3.754 20 10 GHCDMN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc2nc[nH]c21 ZINC001136546359 898234109 /nfs/dbraw/zinc/23/41/09/898234109.db2.gz FVXDPQWMVVMWGS-UHFFFAOYSA-N 0 1 386.402 3.563 20 10 GHCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000824636232 899729988 /nfs/dbraw/zinc/72/99/88/899729988.db2.gz MRACAGXQKVWGFM-ZANVPECISA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030959 899943837 /nfs/dbraw/zinc/94/38/37/899943837.db2.gz VECINILOVDWFNE-CJNGLKHVSA-N 0 1 382.298 3.662 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030959 899943844 /nfs/dbraw/zinc/94/38/44/899943844.db2.gz VECINILOVDWFNE-CJNGLKHVSA-N 0 1 382.298 3.662 20 10 GHCDMN Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(Br)cc2[O-])c(C)c1 ZINC000825418241 900157263 /nfs/dbraw/zinc/15/72/63/900157263.db2.gz UHBDKNRYPALLPA-UHFFFAOYSA-N 0 1 377.282 3.808 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC000216486568 900375440 /nfs/dbraw/zinc/37/54/40/900375440.db2.gz UECNFVYYXIASFN-CEXWTWQISA-N 0 1 382.504 3.591 20 10 GHCDMN Cc1nn(-c2cccc(C)c2)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000845902609 902514482 /nfs/dbraw/zinc/51/44/82/902514482.db2.gz RZBPHDCWRJLXCM-UHFFFAOYSA-N 0 1 390.531 3.958 20 10 GHCDMN COCCN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(Cl)c1 ZINC001171232954 903048695 /nfs/dbraw/zinc/04/86/95/903048695.db2.gz ZEKKNMGRDQFNHN-UHFFFAOYSA-N 0 1 392.902 3.964 20 10 GHCDMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccc2c1OCO2 ZINC000048745165 904095334 /nfs/dbraw/zinc/09/53/34/904095334.db2.gz GCYUYJFLRDTBGI-UHFFFAOYSA-N 0 1 394.393 3.561 20 10 GHCDMN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000153352263 904354990 /nfs/dbraw/zinc/35/49/90/904354990.db2.gz IEEZMTNVBJNAGY-IBGZPJMESA-N 0 1 381.520 3.599 20 10 GHCDMN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000779488761 907322901 /nfs/dbraw/zinc/32/29/01/907322901.db2.gz JFZLVWMYMMINQK-XSFOEPMVSA-N 0 1 386.879 3.718 20 10 GHCDMN C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000186151964 907884985 /nfs/dbraw/zinc/88/49/85/907884985.db2.gz ZEFDXGRMBORHLB-QMMMGPOBSA-N 0 1 378.192 3.758 20 10 GHCDMN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186376919 907915542 /nfs/dbraw/zinc/91/55/42/907915542.db2.gz BYDDPIVEQGBZOY-INIZCTEOSA-N 0 1 390.549 3.646 20 10 GHCDMN CN(C)c1nc(C(F)(F)F)ccc1CNCc1ccc2c(c1)CCCN2C ZINC001177529950 908620798 /nfs/dbraw/zinc/62/07/98/908620798.db2.gz WITXFGFEUANJBH-UHFFFAOYSA-N 0 1 378.442 3.839 20 10 GHCDMN CCCN(CCC)c1ccc(CNC[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC001177679645 908693045 /nfs/dbraw/zinc/69/30/45/908693045.db2.gz YANCKCTZQMAFAP-IBGZPJMESA-N 0 1 398.473 3.586 20 10 GHCDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000194721089 908916962 /nfs/dbraw/zinc/91/69/62/908916962.db2.gz OVXKIIZODFWGSA-CABCVRRESA-N 0 1 399.450 3.535 20 10 GHCDMN COc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1Cn1cccn1 ZINC001178387322 909026540 /nfs/dbraw/zinc/02/65/40/909026540.db2.gz WBRQARTXUQPBTK-UHFFFAOYSA-N 0 1 380.492 3.802 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859973 909785761 /nfs/dbraw/zinc/78/57/61/909785761.db2.gz XGTJUBZDKADWMO-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859973 909785766 /nfs/dbraw/zinc/78/57/66/909785766.db2.gz XGTJUBZDKADWMO-KGLIPLIRSA-N 0 1 383.330 3.672 20 10 GHCDMN CC(C)c1ccc(O)c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC001180253514 910047148 /nfs/dbraw/zinc/04/71/48/910047148.db2.gz ORCNZWBLPWQNNL-UHFFFAOYSA-N 0 1 391.533 3.820 20 10 GHCDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(Br)cc(Br)c1O ZINC001180523204 910200254 /nfs/dbraw/zinc/20/02/54/910200254.db2.gz QLOFNYNMLNVBEJ-SKDRFNHKSA-N 0 1 393.119 3.917 20 10 GHCDMN CN(c1ccc(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc1)C1CCCCC1 ZINC000284297219 911816914 /nfs/dbraw/zinc/81/69/14/911816914.db2.gz YLPKGQSJLWDVMZ-OAQYLSRUSA-N 0 1 376.508 3.848 20 10 GHCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC001182490499 911840526 /nfs/dbraw/zinc/84/05/26/911840526.db2.gz QXWUMSPEKXMYQY-MRXNPFEDSA-N 0 1 389.467 3.784 20 10 GHCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000303625335 915009363 /nfs/dbraw/zinc/00/93/63/915009363.db2.gz PXXWXPKCSLMFPD-MRXNPFEDSA-N 0 1 380.366 3.528 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000796388084 915372481 /nfs/dbraw/zinc/37/24/81/915372481.db2.gz MVTARUVZLYHSGA-UHFFFAOYSA-N 0 1 385.851 3.973 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1[O-] ZINC000796388084 915372499 /nfs/dbraw/zinc/37/24/99/915372499.db2.gz MVTARUVZLYHSGA-UHFFFAOYSA-N 0 1 385.851 3.973 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000775143637 915505044 /nfs/dbraw/zinc/50/50/44/915505044.db2.gz AFKKUODHMSHRHZ-HZMBPMFUSA-N 0 1 382.220 3.598 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000097476954 915585745 /nfs/dbraw/zinc/58/57/45/915585745.db2.gz OYWHFVXQICHHLE-HXUWFJFHSA-N 0 1 395.547 3.645 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2n[nH]cc2C2CC2)C1 ZINC000648974752 915959958 /nfs/dbraw/zinc/95/99/58/915959958.db2.gz FGMADMCEDOXVHA-UHFFFAOYSA-N 0 1 377.492 3.647 20 10 GHCDMN CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000775179853 916042733 /nfs/dbraw/zinc/04/27/33/916042733.db2.gz SOSAVGFDLWTXPT-GOSISDBHSA-N 0 1 380.536 3.579 20 10 GHCDMN CC[C@H](C)NC(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000775179855 916043175 /nfs/dbraw/zinc/04/31/75/916043175.db2.gz SOSAVGFDLWTXPT-SFHVURJKSA-N 0 1 380.536 3.579 20 10 GHCDMN COC1CCN(c2ccc(CN[C@@H](C[S@](C)=O)c3ccccc3)cc2)CC1 ZINC000294903764 917043539 /nfs/dbraw/zinc/04/35/39/917043539.db2.gz FCZNQOIEFKHWFQ-CUNXSJBXSA-N 0 1 386.561 3.511 20 10 GHCDMN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cc(F)cc(F)c1F ZINC001190403499 917303417 /nfs/dbraw/zinc/30/34/17/917303417.db2.gz IZNXGDRXKUUUQX-UHFFFAOYSA-N 0 1 384.423 3.573 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cc(Br)ccc1[O-] ZINC000775484395 918234759 /nfs/dbraw/zinc/23/47/59/918234759.db2.gz CINAYPXEYBJIEN-WBVHZDCISA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cc(Br)ccc1[O-] ZINC000775492147 918277408 /nfs/dbraw/zinc/27/74/08/918277408.db2.gz MMYSUGAYHVHVED-HOCLYGCPSA-N 0 1 376.298 3.851 20 10 GHCDMN Cc1[nH]c(SCC(=O)N(C)Cc2ccccc2O)nc1Cc1ccccc1 ZINC000119980826 919675556 /nfs/dbraw/zinc/67/55/56/919675556.db2.gz FYTMKZFAZHBAMY-UHFFFAOYSA-N 0 1 381.501 3.765 20 10 GHCDMN Oc1cc2c(cc1CN1CC[C@](F)(c3cccc(C(F)(F)F)c3)C1)[C@@H](O)CO2 ZINC000800861817 920538463 /nfs/dbraw/zinc/53/84/63/920538463.db2.gz GGNXYNYUFMXLMO-PKOBYXMFSA-N 0 1 397.368 3.908 20 10 GHCDMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000901256088 920944143 /nfs/dbraw/zinc/94/41/43/920944143.db2.gz MUMLXGROOQCKNM-UHFFFAOYSA-N 0 1 398.484 3.522 20 10 GHCDMN CC[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1[O-] ZINC000903435809 923026421 /nfs/dbraw/zinc/02/64/21/923026421.db2.gz SHFVYKHFAVQHRX-WCQYABFASA-N 0 1 383.279 3.514 20 10 GHCDMN C[C@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056350 923783352 /nfs/dbraw/zinc/78/33/52/923783352.db2.gz UJFCSZCNYQEBFQ-GOSISDBHSA-N 0 1 383.511 3.953 20 10 GHCDMN COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)cc1 ZINC000826846725 924239745 /nfs/dbraw/zinc/23/97/45/924239745.db2.gz YLGLFQPQTASAAI-HNNXBMFYSA-N 0 1 377.282 3.532 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@]12CC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001276076881 925236027 /nfs/dbraw/zinc/23/60/27/925236027.db2.gz JSTOELXFRNAZGB-IBGZPJMESA-N 0 1 393.325 3.522 20 10 GHCDMN O=C1N(C2CCCC2)CC[C@]12CC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001276076881 925236032 /nfs/dbraw/zinc/23/60/32/925236032.db2.gz JSTOELXFRNAZGB-IBGZPJMESA-N 0 1 393.325 3.522 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cccc1Br ZINC001276079006 925264041 /nfs/dbraw/zinc/26/40/41/925264041.db2.gz VNSWVCGKNCJNJF-IAGOWNOFSA-N 0 1 393.325 3.686 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276079006 925264046 /nfs/dbraw/zinc/26/40/46/925264046.db2.gz VNSWVCGKNCJNJF-IAGOWNOFSA-N 0 1 393.325 3.686 20 10 GHCDMN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Br ZINC001276079006 925264059 /nfs/dbraw/zinc/26/40/59/925264059.db2.gz VNSWVCGKNCJNJF-IAGOWNOFSA-N 0 1 393.325 3.686 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079948 928596361 /nfs/dbraw/zinc/59/63/61/928596361.db2.gz UHXKBYWMUOGNNU-JSGCOSHPSA-N 0 1 396.915 3.983 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000752079948 928596363 /nfs/dbraw/zinc/59/63/63/928596363.db2.gz UHXKBYWMUOGNNU-JSGCOSHPSA-N 0 1 396.915 3.983 20 10 GHCDMN CC1(C)Cc2cc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)ccc2O1 ZINC000753155634 929231327 /nfs/dbraw/zinc/23/13/27/929231327.db2.gz PVHOMHVDVPCVOE-UHFFFAOYSA-N 0 1 387.486 3.719 20 10 GHCDMN COc1ccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000753858667 929565637 /nfs/dbraw/zinc/56/56/37/929565637.db2.gz ZLUDPYLRQXJLHI-SFHVURJKSA-N 0 1 398.400 3.709 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@@H+]2CCOC[C@@H](C)C2)c(=O)c1-c1ccccc1 ZINC000753986335 929622750 /nfs/dbraw/zinc/62/27/50/929622750.db2.gz MLKGTFDHFRZRFO-HNNXBMFYSA-N 0 1 379.456 3.942 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000781920553 931029604 /nfs/dbraw/zinc/02/96/04/931029604.db2.gz OQQDABDIZOVCCD-INIZCTEOSA-N 0 1 398.887 3.591 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000781920553 931029613 /nfs/dbraw/zinc/02/96/13/931029613.db2.gz OQQDABDIZOVCCD-INIZCTEOSA-N 0 1 398.887 3.591 20 10 GHCDMN O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000781920553 931029627 /nfs/dbraw/zinc/02/96/27/931029627.db2.gz OQQDABDIZOVCCD-INIZCTEOSA-N 0 1 398.887 3.591 20 10 GHCDMN CO[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000783021840 931387722 /nfs/dbraw/zinc/38/77/22/931387722.db2.gz WDWUBHSMBOVFJE-GOSISDBHSA-N 0 1 384.476 3.506 20 10 GHCDMN CC[C@@H](c1cc(Br)ccc1O)N1CCc2sc(CN)nc2C1 ZINC000925750511 931892610 /nfs/dbraw/zinc/89/26/10/931892610.db2.gz GZHUGFAEYMCJFE-ZDUSSCGKSA-N 0 1 382.327 3.579 20 10 GHCDMN CC(C)[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1cnn(C)c1 ZINC000927072907 932399948 /nfs/dbraw/zinc/39/99/48/932399948.db2.gz YWNRRVSSCSRKRX-YWZLYKJASA-N 0 1 376.932 3.958 20 10 GHCDMN Cc1ccc([C@H](NCc2cc(Cl)cc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000798088346 932525395 /nfs/dbraw/zinc/52/53/95/932525395.db2.gz MFXANZRDNSAXOF-KBXCAEBGSA-N 0 1 381.925 3.926 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001117634038 933967540 /nfs/dbraw/zinc/96/75/40/933967540.db2.gz XMKPJTFUUXRIHS-PBHICJAKSA-N 0 1 375.431 3.877 20 10 GHCDMN CCC[C@@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124585305 935420349 /nfs/dbraw/zinc/42/03/49/935420349.db2.gz MULUWTSAASJGOH-DENIHFKCSA-N 0 1 387.568 3.540 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C3[C@@H]4CCCCCC[C@@H]34)CC2)cc1 ZINC001124585469 935420385 /nfs/dbraw/zinc/42/03/85/935420385.db2.gz PJISCWNIWHPSBP-FGZHOGPDSA-N 0 1 399.579 3.540 20 10 GHCDMN Cc1cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)ccc1N(C)C 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3.756 20 10 GHCDMN C[C@H]1CC[C@@H](COc2cc(O)cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)O1 ZINC001227664042 1032510310 /nfs/dbraw/zinc/51/03/10/1032510310.db2.gz VWFMJLQKQGBMDO-ONGXEEELSA-N 0 1 398.367 3.756 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2[O-])N1CCC(F)(F)F ZINC001277232554 1032520621 /nfs/dbraw/zinc/52/06/21/1032520621.db2.gz UAUHTTTYKGXLCQ-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001277232535 1032521027 /nfs/dbraw/zinc/52/10/27/1032521027.db2.gz SSADCXPBWGTEEU-QGZVFWFLSA-N 0 1 390.833 3.813 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)c3cccnc3)c1C2=O ZINC001227993278 1032728423 /nfs/dbraw/zinc/72/84/23/1032728423.db2.gz AGCXXIDRNFPQKI-GFCCVEGCSA-N 0 1 375.380 3.717 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(CC(F)(F)F)no2)C1 ZINC000575904241 1019956435 /nfs/dbraw/zinc/95/64/35/1019956435.db2.gz XFIJKCQIXOXRNT-UHFFFAOYSA-N 0 1 378.398 3.944 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(Cl)ccc3F)CC2)cc1 ZINC001156257077 1032945686 /nfs/dbraw/zinc/94/56/86/1032945686.db2.gz LUYHUOFZDYRLSZ-UHFFFAOYSA-N 0 1 378.879 3.507 20 10 GHCDMN CCSc1ccnc(NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001156263311 1032948865 /nfs/dbraw/zinc/94/88/65/1032948865.db2.gz SDGNIHBOPUUTJA-UHFFFAOYSA-N 0 1 386.565 3.826 20 10 GHCDMN OC1CCN(c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc2)CC1 ZINC001140286560 1021318564 /nfs/dbraw/zinc/31/85/64/1021318564.db2.gz NZNISBXORNHQFY-UHFFFAOYSA-N 0 1 399.966 3.619 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140339785 1021447183 /nfs/dbraw/zinc/44/71/83/1021447183.db2.gz YFUBCNIQGDNURA-CTNGQTDRSA-N 0 1 388.895 3.891 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140339785 1021447185 /nfs/dbraw/zinc/44/71/85/1021447185.db2.gz YFUBCNIQGDNURA-CTNGQTDRSA-N 0 1 388.895 3.891 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cc(Cl)ccc1[O-] ZINC000834903646 1021652669 /nfs/dbraw/zinc/65/26/69/1021652669.db2.gz JUHOWEKCGNZTME-UKRRQHHQSA-N 0 1 384.904 3.722 20 10 GHCDMN CCN1CC[C@@]2(C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001140465290 1021757083 /nfs/dbraw/zinc/75/70/83/1021757083.db2.gz NDMMCODWEQKOSY-KNQAVFIVSA-N 0 1 384.907 3.884 20 10 GHCDMN CCN1CC[C@@]2(C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2c2ccccc2)C1=O ZINC001140465290 1021757097 /nfs/dbraw/zinc/75/70/97/1021757097.db2.gz NDMMCODWEQKOSY-KNQAVFIVSA-N 0 1 384.907 3.884 20 10 GHCDMN CN(C)c1ccc(/C=C\CN2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000835025234 1021781678 /nfs/dbraw/zinc/78/16/78/1021781678.db2.gz GSCZHJGHKYWKID-HYXAFXHYSA-N 0 1 381.495 3.753 20 10 GHCDMN O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140581445 1022002611 /nfs/dbraw/zinc/00/26/11/1022002611.db2.gz WLCDYNAGIKAGBL-UHFFFAOYSA-N 0 1 392.471 3.860 20 10 GHCDMN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cc(F)cc1F ZINC001140585313 1022009142 /nfs/dbraw/zinc/00/91/42/1022009142.db2.gz FBGYFBGHFQSHFI-LQDVMPOASA-N 0 1 382.451 3.938 20 10 GHCDMN Cc1ccc(O)c(CN2CCc3c(COCc4ccccn4)cncc3C2)c1 ZINC001140621461 1022094288 /nfs/dbraw/zinc/09/42/88/1022094288.db2.gz KRUBPBVRDYSSEJ-UHFFFAOYSA-N 0 1 375.472 3.766 20 10 GHCDMN C[C@@H](c1ccccc1)N1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663479 1022204569 /nfs/dbraw/zinc/20/45/69/1022204569.db2.gz GJANPTARNPRZJR-IBGZPJMESA-N 0 1 383.511 3.541 20 10 GHCDMN O=C1CC2(CCN(Cc3ccc(N4CCOCC4)cc3F)CC2)c2ccccc21 ZINC001140666862 1022217078 /nfs/dbraw/zinc/21/70/78/1022217078.db2.gz BQODWFXFGRKGGR-UHFFFAOYSA-N 0 1 394.490 3.783 20 10 GHCDMN CCOC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2cn(CC)nc21 ZINC001140852198 1022701064 /nfs/dbraw/zinc/70/10/64/1022701064.db2.gz FWHFDEGTUDTOFG-IBGZPJMESA-N 0 1 386.540 3.591 20 10 GHCDMN COc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000754723336 1022859051 /nfs/dbraw/zinc/85/90/51/1022859051.db2.gz PORXPODMPSTRQR-HXUWFJFHSA-N 0 1 382.504 3.762 20 10 GHCDMN CN(C)c1ccc(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(Cl)c1 ZINC001140924965 1022901105 /nfs/dbraw/zinc/90/11/05/1022901105.db2.gz XUJUOIWLQUSDMC-DYXWJJEUSA-N 0 1 387.911 3.612 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000756046940 1023495537 /nfs/dbraw/zinc/49/55/37/1023495537.db2.gz AWBMSDJBLBJQOI-INIZCTEOSA-N 0 1 388.961 3.679 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000756461296 1023664699 /nfs/dbraw/zinc/66/46/99/1023664699.db2.gz XRFZPDPDUGQNGM-TZMCWYRMSA-N 0 1 382.273 3.796 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(Br)ccc1[O-] ZINC000756661310 1023761354 /nfs/dbraw/zinc/76/13/54/1023761354.db2.gz QRBGODJCZUOTHG-BLLLJJGKSA-N 0 1 375.266 3.611 20 10 GHCDMN C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000756708726 1023783953 /nfs/dbraw/zinc/78/39/53/1023783953.db2.gz QTIRUROHHRAOAZ-LBPRGKRZSA-N 0 1 395.272 3.765 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc(-c4ccccc4F)nn3)cc2)CC1 ZINC001156660317 1033162486 /nfs/dbraw/zinc/16/24/86/1033162486.db2.gz UZXULCQRYHXJQE-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC001138123616 1024167066 /nfs/dbraw/zinc/16/70/66/1024167066.db2.gz CHXLSQFCQMJIOA-OXQOHEQNSA-N 0 1 382.451 3.702 20 10 GHCDMN C[C@@H](CC(F)(F)F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000837486282 1024495279 /nfs/dbraw/zinc/49/52/79/1024495279.db2.gz WVKYFQRIFCQRNS-FZMZJTMJSA-N 0 1 378.822 3.715 20 10 GHCDMN CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337306 1024699970 /nfs/dbraw/zinc/69/99/70/1024699970.db2.gz NIBCTMBGVYCKFE-LJQANCHMSA-N 0 1 386.536 3.787 20 10 GHCDMN CN1CCCc2cc(CN3CCC[C@@H](NC(=O)c4ccc(F)cc4)C3)ccc21 ZINC001138359798 1024723757 /nfs/dbraw/zinc/72/37/57/1024723757.db2.gz ZGPRQFXRJPXYDC-OAQYLSRUSA-N 0 1 381.495 3.603 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001141368741 1024746271 /nfs/dbraw/zinc/74/62/71/1024746271.db2.gz ADXCCENDUODHMT-DLBZAZTESA-N 0 1 396.712 3.986 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001141374469 1024766748 /nfs/dbraw/zinc/76/67/48/1024766748.db2.gz JEYDQCOIHYTPSV-CQSZACIVSA-N 0 1 383.673 3.856 20 10 GHCDMN CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141376745 1024773753 /nfs/dbraw/zinc/77/37/53/1024773753.db2.gz CBZWPTJKBGFFCK-LLVKDONJSA-N 0 1 390.705 3.973 20 10 GHCDMN CCn1cc(CNCc2ccc(N3CCCCC3)c(Br)c2)cn1 ZINC000838960383 1025477976 /nfs/dbraw/zinc/47/79/76/1025477976.db2.gz BXIBNXSTFBNVIA-UHFFFAOYSA-N 0 1 377.330 3.946 20 10 GHCDMN COc1ccc(Cl)cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146422 1025642314 /nfs/dbraw/zinc/64/23/14/1025642314.db2.gz GVNWBUUIQIWLAX-UHFFFAOYSA-N 0 1 382.838 3.753 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001139129215 1025942124 /nfs/dbraw/zinc/94/21/24/1025942124.db2.gz QUECYSLTEZPALU-CQSZACIVSA-N 0 1 387.382 3.739 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c1[O-] ZINC000832778729 1025944631 /nfs/dbraw/zinc/94/46/31/1025944631.db2.gz OVOQFQZCYGTEJJ-UHFFFAOYSA-N 0 1 376.394 3.583 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3nc(Cl)cc4cc[nH]c43)CC2)cc1 ZINC001164328533 1026487376 /nfs/dbraw/zinc/48/73/76/1026487376.db2.gz XAFDUXIZRCAYFK-UHFFFAOYSA-N 0 1 399.926 3.849 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC001139683250 1026536982 /nfs/dbraw/zinc/53/69/82/1026536982.db2.gz JLDVQZCTYGDTNK-UHFFFAOYSA-N 0 1 383.236 3.755 20 10 GHCDMN Cc1nn(C)c2nc(Cl)c(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC001461121753 1069400775 /nfs/dbraw/zinc/40/07/75/1069400775.db2.gz NPDFGVGYHHBCIG-AWEZNQCLSA-N 0 1 399.926 3.618 20 10 GHCDMN COc1ccc2n[nH]c(CN3CCc4c(c5cc(OC)ccc5n4C)C3)c2c1 ZINC001140068219 1026847469 /nfs/dbraw/zinc/84/74/69/1026847469.db2.gz BYLYZIGQWCWFGT-UHFFFAOYSA-N 0 1 376.460 3.630 20 10 GHCDMN CCOC[C@H]1COCCC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001140101142 1026879623 /nfs/dbraw/zinc/87/96/23/1026879623.db2.gz KTKSTTIHEGRYTO-HNNXBMFYSA-N 0 1 398.341 3.810 20 10 GHCDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2c(O)cccc2Br)C1 ZINC001140102167 1026882018 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O=C1N(CC(F)F)CC[C@]12CCC[N@H+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278025518 1041948481 /nfs/dbraw/zinc/94/84/81/1041948481.db2.gz VAHKIELUPNWIEX-GOSISDBHSA-N 0 1 390.833 3.654 20 10 GHCDMN CCOc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(O)c1 ZINC001237042757 1042002740 /nfs/dbraw/zinc/00/27/40/1042002740.db2.gz LBVXJZSSHAFSMQ-JTHBVZDNSA-N 0 1 398.503 3.526 20 10 GHCDMN COc1cc([O-])c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c(Br)c1 ZINC001237071155 1042021535 /nfs/dbraw/zinc/02/15/35/1042021535.db2.gz RGFXRPXTIZYXMC-UHFFFAOYSA-N 0 1 394.309 3.936 20 10 GHCDMN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c(Br)c1 ZINC001237071155 1042021541 /nfs/dbraw/zinc/02/15/41/1042021541.db2.gz RGFXRPXTIZYXMC-UHFFFAOYSA-N 0 1 394.309 3.936 20 10 GHCDMN CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c([O-])ccc(Cl)c3Cl)C2)C1=O ZINC001237080984 1042027043 /nfs/dbraw/zinc/02/70/43/1042027043.db2.gz ONQDVQSBGVWURV-IBGZPJMESA-N 0 1 377.271 3.819 20 10 GHCDMN COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237113075 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[O-]c1c(C[N@H+]2CCC[C@]3(CCO3)C2)cc(Br)cc1C(F)(F)F ZINC001237791024 1042371899 /nfs/dbraw/zinc/37/18/99/1042371899.db2.gz GCOSWPOAALGNCS-AWEZNQCLSA-N 0 1 380.204 3.928 20 10 GHCDMN CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])[C@H]2C ZINC001237801056 1042377188 /nfs/dbraw/zinc/37/71/88/1042377188.db2.gz QUULGXPDUZJJIM-ZDUSSCGKSA-N 0 1 380.895 3.798 20 10 GHCDMN CC(C)COC[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)Cc2ncn(C)c21 ZINC001237802005 1042378502 /nfs/dbraw/zinc/37/85/02/1042378502.db2.gz XBFFEXZICJNSMX-AWEZNQCLSA-N 0 1 381.879 3.690 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001237938268 1042428951 /nfs/dbraw/zinc/42/89/51/1042428951.db2.gz WFZZLLUEFBNZCH-OXQOHEQNSA-N 0 1 383.891 3.840 20 10 GHCDMN Cc1cc(OC(F)(F)F)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC001260382607 1045484931 /nfs/dbraw/zinc/48/49/31/1045484931.db2.gz YQYACZXIMNSDDS-UHFFFAOYSA-N 0 1 389.380 3.699 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(SC(F)(F)F)o3)cc2)CC1 ZINC001303084718 1047275204 /nfs/dbraw/zinc/27/52/04/1047275204.db2.gz JCIPSSHTRGINEG-UHFFFAOYSA-N 0 1 399.438 3.573 20 10 GHCDMN O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001279442093 1047808361 /nfs/dbraw/zinc/80/83/61/1047808361.db2.gz LGBWRXRIQGHCGQ-IRXDYDNUSA-N 0 1 376.909 3.525 20 10 GHCDMN CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665764 1047905950 /nfs/dbraw/zinc/90/59/50/1047905950.db2.gz WEXJXFKBZCSQOD-AGUYFDCRSA-N 0 1 386.323 3.902 20 10 GHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674989 1047909653 /nfs/dbraw/zinc/90/96/53/1047909653.db2.gz TVJNHBLTXCBOQM-UHFFFAOYSA-N 0 1 381.307 3.520 20 10 GHCDMN O=C(N1CCCC12CC2)[C@]12C[C@H]1CC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001279975823 1048022464 /nfs/dbraw/zinc/02/24/64/1048022464.db2.gz JFYPYVIQMPPDSS-YJYMSZOUSA-N 0 1 381.303 3.818 20 10 GHCDMN O=C(N1CCCC12CC2)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001279975823 1048022477 /nfs/dbraw/zinc/02/24/77/1048022477.db2.gz JFYPYVIQMPPDSS-YJYMSZOUSA-N 0 1 381.303 3.818 20 10 GHCDMN CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001280313531 1048179877 /nfs/dbraw/zinc/17/98/77/1048179877.db2.gz YJLCSNMOMRZHDT-CQSZACIVSA-N 0 1 395.341 3.625 20 10 GHCDMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2)C1 ZINC001306366602 1048604262 /nfs/dbraw/zinc/60/42/62/1048604262.db2.gz SBSGCAMUINDLQZ-GJZGRUSLSA-N 0 1 386.467 3.645 20 10 GHCDMN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1c(F)ccc(O)c1O ZINC001306858290 1048930618 /nfs/dbraw/zinc/93/06/18/1048930618.db2.gz KAOXKXCACDYQPJ-UHFFFAOYSA-N 0 1 381.285 3.694 20 10 GHCDMN COC(=O)COc1ccccc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC001308488583 1049988041 /nfs/dbraw/zinc/98/80/41/1049988041.db2.gz OCIVIQZOWHYHMU-UHFFFAOYSA-N 0 1 378.472 3.936 20 10 GHCDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001308720723 1050071069 /nfs/dbraw/zinc/07/10/69/1050071069.db2.gz NTKOVOVXHKBUFO-SFHVURJKSA-N 0 1 384.314 3.874 20 10 GHCDMN CN(CCOCC[N@H+](C)Cc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC001308867741 1050130715 /nfs/dbraw/zinc/13/07/15/1050130715.db2.gz HQIZZSKHVMOENK-UHFFFAOYSA-N 0 1 388.508 3.861 20 10 GHCDMN CN(CCOCC[N@@H+](C)Cc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC001308867741 1050130718 /nfs/dbraw/zinc/13/07/18/1050130718.db2.gz HQIZZSKHVMOENK-UHFFFAOYSA-N 0 1 388.508 3.861 20 10 GHCDMN Cc1cc2[nH]ncc2cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC001309225743 1050492800 /nfs/dbraw/zinc/49/28/00/1050492800.db2.gz JCEBSAMTVMXTMC-UHFFFAOYSA-N 0 1 385.489 3.710 20 10 GHCDMN O=C([O-])[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(Br)c1 ZINC000756349891 1051046958 /nfs/dbraw/zinc/04/69/58/1051046958.db2.gz NUZFCFURVOJRHF-AWEZNQCLSA-N 0 1 388.620 3.863 20 10 GHCDMN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000756382149 1051060487 /nfs/dbraw/zinc/06/04/87/1051060487.db2.gz ZAAZSJKWAFHQKD-CYBMUJFWSA-N 0 1 376.186 3.763 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1F ZINC001319924730 1055545063 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O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001457038697 1062957739 /nfs/dbraw/zinc/95/77/39/1062957739.db2.gz ZEJSCFZYVJKOIT-INIZCTEOSA-N 0 1 394.849 3.819 20 10 GHCDMN O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001457038697 1062957740 /nfs/dbraw/zinc/95/77/40/1062957740.db2.gz ZEJSCFZYVJKOIT-INIZCTEOSA-N 0 1 394.849 3.819 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)/C=C/C3CCCCCC3)CC2)cc1 ZINC001349006742 1063493283 /nfs/dbraw/zinc/49/32/83/1063493283.db2.gz XPYZSYNSWZACJJ-NTEUORMPSA-N 0 1 399.579 3.850 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC001438885192 1064132402 /nfs/dbraw/zinc/13/24/02/1064132402.db2.gz FBFLVDKKUDDOGR-UHFFFAOYSA-N 0 1 384.332 3.737 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2C(F)(F)F)C1 ZINC001463447094 1064358323 /nfs/dbraw/zinc/35/83/23/1064358323.db2.gz SXHDQRJYVDBYGU-IBGZPJMESA-N 0 1 393.453 3.961 20 10 GHCDMN CCCc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)n[nH]1 ZINC001465252963 1065501197 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BPULVYLXHUYBCI-BRWVUGGUSA-N 0 1 393.491 3.973 20 10 GHCDMN CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001200460485 1066292359 /nfs/dbraw/zinc/29/23/59/1066292359.db2.gz WVCJCLPOGWKVKV-GUYCJALGSA-N 0 1 375.340 3.926 20 10 GHCDMN CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001200460485 1066292365 /nfs/dbraw/zinc/29/23/65/1066292365.db2.gz WVCJCLPOGWKVKV-GUYCJALGSA-N 0 1 375.340 3.926 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765109800 1068110264 /nfs/dbraw/zinc/11/02/64/1068110264.db2.gz PYOKRQMMHVDHIR-SFHVURJKSA-N 0 1 392.507 3.750 20 10 GHCDMN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c(F)ccc(O)c1O ZINC001472535728 1073537094 /nfs/dbraw/zinc/53/70/94/1073537094.db2.gz ASPGMPBKNAIAFB-UHFFFAOYSA-N 0 1 381.285 3.694 20 10 GHCDMN CC(C)CN(CC(F)(F)F)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001473114326 1073786751 /nfs/dbraw/zinc/78/67/51/1073786751.db2.gz BVXLARQAISBRKR-UHFFFAOYSA-N 0 1 385.474 3.764 20 10 GHCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473785422 1074141457 /nfs/dbraw/zinc/14/14/57/1074141457.db2.gz CNACFHZQXXTYBR-INIZCTEOSA-N 0 1 380.460 3.565 20 10 GHCDMN COC(=O)C[C@@](C)(NCc1ccc(N2CCCCC2)c(C)c1)c1cccnc1 ZINC001473910540 1074200174 /nfs/dbraw/zinc/20/01/74/1074200174.db2.gz SZUMXNZOXQAPHZ-HSZRJFAPSA-N 0 1 381.520 3.948 20 10 GHCDMN CCOCc1cc(CN[C@H](CN2CCCC2=O)c2ccccc2)ccc1OC ZINC001473938862 1074212481 /nfs/dbraw/zinc/21/24/81/1074212481.db2.gz YJBHIOZELVNHFZ-OAQYLSRUSA-N 0 1 382.504 3.685 20 10 GHCDMN CC(=O)c1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001479622927 1079240700 /nfs/dbraw/zinc/24/07/00/1079240700.db2.gz SLRHVDGVXFDCRX-UHFFFAOYSA-N 0 1 381.259 3.944 20 10 GHCDMN C[C@@H](c1cccnc1)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC001474376715 1074372474 /nfs/dbraw/zinc/37/24/74/1074372474.db2.gz QPJKJHTUVQDACK-ZDUSSCGKSA-N 0 1 394.288 3.568 20 10 GHCDMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1C ZINC000832974145 601596149 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CN1CCN(c2ccc(CNc3ncnc4sc5c(c43)CCCC5)cc2)CC1 ZINC001167423011 839889652 /nfs/dbraw/zinc/88/96/52/839889652.db2.gz JVQAKMWYNSQQAL-UHFFFAOYSA-N 0 1 393.560 3.934 20 10 GHCDMN CCOC(=O)c1cc2c(cccc2NCc2ccc(N3CCN(C)CC3)cc2)[nH]1 ZINC001167434752 840186980 /nfs/dbraw/zinc/18/69/80/840186980.db2.gz VVIHZCLNBQMDPT-UHFFFAOYSA-N 0 1 392.503 3.709 20 10 GHCDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000588405465 841000876 /nfs/dbraw/zinc/00/08/76/841000876.db2.gz QUKICFPXEPGMJD-TZCKBEDOSA-N 0 1 385.423 3.893 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713522 842926054 /nfs/dbraw/zinc/92/60/54/842926054.db2.gz HYTATBOSDFMISY-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCC(F)(F)C2)C1 ZINC000431106189 843607171 /nfs/dbraw/zinc/60/71/71/843607171.db2.gz LWNMRBQSNGDUOG-MRXNPFEDSA-N 0 1 389.490 3.959 20 10 GHCDMN CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000588487707 845593549 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GHCDMN O=C(NCc1cccc(Br)c1[O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000765735255 860520213 /nfs/dbraw/zinc/52/02/13/860520213.db2.gz FUIYVVMOAYJQEI-UHFFFAOYSA-N 0 1 389.293 3.681 20 10 GHCDMN CN(C)Cc1csc(CNCc2ccc(OCc3ccccc3)cc2O)n1 ZINC000896315373 860643188 /nfs/dbraw/zinc/64/31/88/860643188.db2.gz STKQRBNYRJVLGA-UHFFFAOYSA-N 0 1 383.517 3.779 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3)cc2F)CC1 ZINC000730194540 860935957 /nfs/dbraw/zinc/93/59/57/860935957.db2.gz KPWJFNZJGHAMJC-UHFFFAOYSA-N 0 1 383.511 3.562 20 10 GHCDMN CN(C)c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1F ZINC000733800437 863192135 /nfs/dbraw/zinc/19/21/35/863192135.db2.gz QPYBWLXAVHFYFD-KRWDZBQOSA-N 0 1 395.400 3.806 20 10 GHCDMN C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cc(Br)ccc1[O-] ZINC000281687036 863325596 /nfs/dbraw/zinc/32/55/96/863325596.db2.gz RVWPRWYZLBMOKJ-NSHDSACASA-N 0 1 382.327 3.931 20 10 GHCDMN CC(C)N(C)C(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792787816 881665713 /nfs/dbraw/zinc/66/57/13/881665713.db2.gz ICBOBCKKOPYWQY-UHFFFAOYSA-N 0 1 385.474 3.850 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCc2ccccn2)C1 ZINC000444264614 863772802 /nfs/dbraw/zinc/77/28/02/863772802.db2.gz JSWWQQUFLVQAFR-UHFFFAOYSA-N 0 1 390.531 3.552 20 10 GHCDMN CN(C)c1ccc(CNc2ccc(N3CCN(C)CC3)cn2)c(C(F)(F)F)c1 ZINC000792921832 881816665 /nfs/dbraw/zinc/81/66/65/881816665.db2.gz FHUIFEFPFRRTBP-UHFFFAOYSA-N 0 1 393.457 3.530 20 10 GHCDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000738058845 865490503 /nfs/dbraw/zinc/49/05/03/865490503.db2.gz WDJJGKLJOYZLLS-VGOFRKELSA-N 0 1 388.552 3.828 20 10 GHCDMN CN(C)c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)c(C(F)(F)F)c1 ZINC000793076479 881912451 /nfs/dbraw/zinc/91/24/51/881912451.db2.gz JUFIDOFISUPDRV-KRWDZBQOSA-N 0 1 375.398 3.769 20 10 GHCDMN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000185322682 865979852 /nfs/dbraw/zinc/97/98/52/865979852.db2.gz NFYKGEZOYBYRFK-CABCVRRESA-N 0 1 384.501 3.865 20 10 GHCDMN COc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1OC(F)F ZINC000121310868 866138594 /nfs/dbraw/zinc/13/85/94/866138594.db2.gz AJPPNXLUGYMALI-UHFFFAOYSA-N 0 1 392.446 3.765 20 10 GHCDMN CCCCS[C@H](C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000303280291 866141059 /nfs/dbraw/zinc/14/10/59/866141059.db2.gz IKZCUOCPKARYLG-MRXNPFEDSA-N 0 1 381.561 3.506 20 10 GHCDMN CCCCS[C@@H](C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000303280289 866141371 /nfs/dbraw/zinc/14/13/71/866141371.db2.gz IKZCUOCPKARYLG-INIZCTEOSA-N 0 1 381.561 3.506 20 10 GHCDMN CCN(CC(=O)N(C)C1CCCCC1)Cc1cc(Br)ccc1O ZINC000743871541 868468501 /nfs/dbraw/zinc/46/85/01/868468501.db2.gz HAGATWLTXLDGQC-UHFFFAOYSA-N 0 1 383.330 3.768 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000743872848 868471889 /nfs/dbraw/zinc/47/18/89/868471889.db2.gz BVBHONNVUAZHGI-INIZCTEOSA-N 0 1 398.272 3.556 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000743872848 868471895 /nfs/dbraw/zinc/47/18/95/868471895.db2.gz BVBHONNVUAZHGI-INIZCTEOSA-N 0 1 398.272 3.556 20 10 GHCDMN CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000183893529 868599707 /nfs/dbraw/zinc/59/97/07/868599707.db2.gz HILFMVCKRYSVNU-MNDMWVCDSA-N 0 1 394.393 3.549 20 10 GHCDMN O=C(NCCCSc1nccs1)[C@H]1CCCCN1Cc1ccccc1 ZINC000746020000 869949050 /nfs/dbraw/zinc/94/90/50/869949050.db2.gz GQSCADSUGUPMAD-QGZVFWFLSA-N 0 1 375.563 3.796 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775541379 870603322 /nfs/dbraw/zinc/60/33/22/870603322.db2.gz XKGQFHBXODZLNC-KRWDZBQOSA-N 0 1 388.961 3.537 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Cl)nc2)C1 ZINC000766414824 870726506 /nfs/dbraw/zinc/72/65/06/870726506.db2.gz IPNFTMXHBNXADY-UHFFFAOYSA-N 0 1 396.922 3.773 20 10 GHCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000809693715 887669586 /nfs/dbraw/zinc/66/95/86/887669586.db2.gz ZCRMAGQRDKKCQJ-PHIMTYICSA-N 0 1 379.092 3.526 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000775581325 870954540 /nfs/dbraw/zinc/95/45/40/870954540.db2.gz YGZQEMUXCPVPDN-AVGNSLFASA-N 0 1 385.302 3.672 20 10 GHCDMN Oc1cc(F)c(Cl)cc1CNC1(c2ncc(Br)cn2)CCC1 ZINC000897351619 870983159 /nfs/dbraw/zinc/98/31/59/870983159.db2.gz MTLAWJYNRBASDP-UHFFFAOYSA-N 0 1 386.652 3.906 20 10 GHCDMN Cn1nc(NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccc(Br)cc21 ZINC001193590168 871176189 /nfs/dbraw/zinc/17/61/89/871176189.db2.gz WGPAEFXIDQTGDP-UHFFFAOYSA-N 0 1 396.628 3.653 20 10 GHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001193612513 871187617 /nfs/dbraw/zinc/18/76/17/871187617.db2.gz PHKBWEJAVZCYOH-ZIAGYGMSSA-N 0 1 398.887 3.659 20 10 GHCDMN NC(=O)c1sc(-c2ccsc2)cc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193605794 871210953 /nfs/dbraw/zinc/21/09/53/871210953.db2.gz KUFUDKQMXSHEHA-UHFFFAOYSA-N 0 1 394.861 3.892 20 10 GHCDMN O=C(Nc1ccc2nc(-c3ccccc3F)nn2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193606008 871212948 /nfs/dbraw/zinc/21/29/48/871212948.db2.gz RBWHLIPQAQABBE-UHFFFAOYSA-N 0 1 398.781 3.852 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)C[C@H](C)O1 ZINC000775633824 872154804 /nfs/dbraw/zinc/15/48/04/872154804.db2.gz LOYXOADUIINGGG-DTORHVGOSA-N 0 1 379.092 3.526 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)[C@H](C)CO1 ZINC000775653292 872383991 /nfs/dbraw/zinc/38/39/91/872383991.db2.gz CSLMUGCSGNFRRH-RKDXNWHRSA-N 0 1 379.092 3.526 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)[N-]OCc2ccccc2)C1 ZINC000767461865 872522858 /nfs/dbraw/zinc/52/28/58/872522858.db2.gz KNFSTIOEMRZCCF-UHFFFAOYSA-N 0 1 377.488 3.656 20 10 GHCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1[O-] ZINC001195901933 872722346 /nfs/dbraw/zinc/72/23/46/872722346.db2.gz DNFDIXYOYMKHJE-HXUWFJFHSA-N 0 1 386.923 3.997 20 10 GHCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1[O-] ZINC001195901933 872722352 /nfs/dbraw/zinc/72/23/52/872722352.db2.gz DNFDIXYOYMKHJE-HXUWFJFHSA-N 0 1 386.923 3.997 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]2CCC(C)C)c1 ZINC000767760335 872817250 /nfs/dbraw/zinc/81/72/50/872817250.db2.gz VVDOFLHPULOVIB-JOCHJYFZSA-N 0 1 388.552 3.828 20 10 GHCDMN CNC(=O)c1ccc(CN(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000768206991 873142873 /nfs/dbraw/zinc/14/28/73/873142873.db2.gz NTZNHHNRFAZORW-UHFFFAOYSA-N 0 1 396.491 3.577 20 10 GHCDMN COc1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001196607698 873228287 /nfs/dbraw/zinc/22/82/87/873228287.db2.gz PSPAHRDMIRFVMY-UHFFFAOYSA-N 0 1 386.267 3.581 20 10 GHCDMN C[N@@H+](C1CC1)[C@@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001197178562 873616761 /nfs/dbraw/zinc/61/67/61/873616761.db2.gz LKRUQMIDQPQXHB-XKXPVHLMSA-N 0 1 384.505 3.959 20 10 GHCDMN CN(C1CC1)[C@@H]1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001197178562 873616764 /nfs/dbraw/zinc/61/67/64/873616764.db2.gz LKRUQMIDQPQXHB-XKXPVHLMSA-N 0 1 384.505 3.959 20 10 GHCDMN O=S(=O)(c1ccc(/N=N/c2ccccc2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC001197174785 873637753 /nfs/dbraw/zinc/63/77/53/873637753.db2.gz SORVRXHZQZODMP-XKXPVHLMSA-N 0 1 384.505 3.961 20 10 GHCDMN O=C(CSc1ccccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913790 873681826 /nfs/dbraw/zinc/68/18/26/873681826.db2.gz AQPVYXUCBVEOCS-KRWDZBQOSA-N 0 1 390.936 3.919 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768917338 873686249 /nfs/dbraw/zinc/68/62/49/873686249.db2.gz XIRQLTSKOGPCLZ-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768917338 873686257 /nfs/dbraw/zinc/68/62/57/873686257.db2.gz XIRQLTSKOGPCLZ-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1cccc(F)c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768917338 873686268 /nfs/dbraw/zinc/68/62/68/873686268.db2.gz XIRQLTSKOGPCLZ-GOSISDBHSA-N 0 1 376.859 3.508 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769422391 874039958 /nfs/dbraw/zinc/03/99/58/874039958.db2.gz BLTXTBIJQSBWLS-WFASDCNBSA-N 0 1 399.329 3.890 20 10 GHCDMN CC(C)c1nc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)no1 ZINC000769662753 874220678 /nfs/dbraw/zinc/22/06/78/874220678.db2.gz HLGDZTJZHNRCFR-UHFFFAOYSA-N 0 1 396.491 3.658 20 10 GHCDMN Cc1ncc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)n1C ZINC001198404129 874393727 /nfs/dbraw/zinc/39/37/27/874393727.db2.gz OOYCCRQKEOXLIP-AATRIKPKSA-N 0 1 396.516 3.766 20 10 GHCDMN COc1cc2c(cc1CNCc1c(O)cccc1Br)O[C@H](C)C2 ZINC000858093620 882837975 /nfs/dbraw/zinc/83/79/75/882837975.db2.gz FMUMDBFQBAGNEO-LLVKDONJSA-N 0 1 378.266 3.777 20 10 GHCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000115844831 882839987 /nfs/dbraw/zinc/83/99/87/882839987.db2.gz UDGSQXRGHVVDNU-UHFFFAOYSA-N 0 1 386.515 3.685 20 10 GHCDMN COc1cc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc(OC)c1OC ZINC000858098798 882843374 /nfs/dbraw/zinc/84/33/74/882843374.db2.gz RRPXOEOLLVQOTL-GFCCVEGCSA-N 0 1 380.435 3.907 20 10 GHCDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000770390328 874644123 /nfs/dbraw/zinc/64/41/23/874644123.db2.gz XYCZGFXCGBTVME-QWHCGFSZSA-N 0 1 399.329 3.890 20 10 GHCDMN Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1F ZINC000771057812 875014183 /nfs/dbraw/zinc/01/41/83/875014183.db2.gz KRGIKJUBARMZFR-MRXNPFEDSA-N 0 1 376.859 3.888 20 10 GHCDMN CCO[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771060094 875015894 /nfs/dbraw/zinc/01/58/94/875015894.db2.gz UCGVCLIBACMWQN-MJGOQNOKSA-N 0 1 382.932 3.577 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2cc[nH]c2c1 ZINC000771067620 875019646 /nfs/dbraw/zinc/01/96/46/875019646.db2.gz VAJYCBDOLDVYDZ-GOSISDBHSA-N 0 1 383.879 3.921 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691486648 875164841 /nfs/dbraw/zinc/16/48/41/875164841.db2.gz BLOZLWJREGYMJA-IUODEOHRSA-N 0 1 399.329 3.938 20 10 GHCDMN CCOc1cc2c(cc1NCc1ccc(N3CCN(C)CC3)cc1)O[C@@H](C)C2 ZINC001201079712 875514235 /nfs/dbraw/zinc/51/42/35/875514235.db2.gz SQNMYDOIFAIHSQ-KRWDZBQOSA-N 0 1 381.520 3.773 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3c(F)cccc3F)cc2F)CC1 ZINC000106584885 876153269 /nfs/dbraw/zinc/15/32/69/876153269.db2.gz FHHWAUNBCNCEBN-UHFFFAOYSA-N 0 1 392.425 3.568 20 10 GHCDMN C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc21 ZINC000858311437 883015415 /nfs/dbraw/zinc/01/54/15/883015415.db2.gz JQCXYZDSMBOECC-QGZVFWFLSA-N 0 1 378.520 3.521 20 10 GHCDMN CCCCn1nc(C)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000850406086 876886828 /nfs/dbraw/zinc/88/68/28/876886828.db2.gz QVIBTSNRJILIEQ-UHFFFAOYSA-N 0 1 390.959 3.896 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3nc(Br)cs3)C2)cc1 ZINC000850485884 876959460 /nfs/dbraw/zinc/95/94/60/876959460.db2.gz CBCJCIDTNGKFHW-NWDGAFQWSA-N 0 1 382.327 3.844 20 10 GHCDMN COC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccc(OC)c1 ZINC000850514056 876984714 /nfs/dbraw/zinc/98/47/14/876984714.db2.gz LEGCIHHUZHWKPH-IERDGZPVSA-N 0 1 388.483 3.709 20 10 GHCDMN C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(Br)cc1[O-] ZINC000850580508 877053363 /nfs/dbraw/zinc/05/33/63/877053363.db2.gz NWNSCAYQVOKYQV-AYVTZFPOSA-N 0 1 390.199 3.956 20 10 GHCDMN COCC[N@@H+](Cc1scnc1C)Cc1cc(C)cc(Br)c1[O-] ZINC000787311928 877337683 /nfs/dbraw/zinc/33/76/83/877337683.db2.gz YMFGKMKQHAIEID-UHFFFAOYSA-N 0 1 385.327 3.877 20 10 GHCDMN CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000093480577 912292611 /nfs/dbraw/zinc/29/26/11/912292611.db2.gz SLCRCEGNXRGAAT-IBGZPJMESA-N 0 1 384.476 3.711 20 10 GHCDMN Oc1c(Br)cccc1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000093512702 912309275 /nfs/dbraw/zinc/30/92/75/912309275.db2.gz VKIMEWSTJLHCLH-UHFFFAOYSA-N 0 1 396.716 3.521 20 10 GHCDMN C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000181172317 880025929 /nfs/dbraw/zinc/02/59/29/880025929.db2.gz ZBNFDWBSFXYBNN-LLGFUMIMSA-N 0 1 397.494 3.507 20 10 GHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c2c1 ZINC000112695122 880088430 /nfs/dbraw/zinc/08/84/30/880088430.db2.gz JDCBNLIKVXZYLZ-INIZCTEOSA-N 0 1 384.520 3.928 20 10 GHCDMN CCO[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C[C@H]1C ZINC000452867466 880133696 /nfs/dbraw/zinc/13/36/96/880133696.db2.gz ONOJSCKCFCTLDI-WZONZLPQSA-N 0 1 397.563 3.681 20 10 GHCDMN COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)c1F ZINC000805134734 883615010 /nfs/dbraw/zinc/61/50/10/883615010.db2.gz HMBDIZIZNBJKMN-UHFFFAOYSA-N 0 1 394.251 3.634 20 10 GHCDMN CC[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)[C@@H]1CCCCO1 ZINC001130285630 883936104 /nfs/dbraw/zinc/93/61/04/883936104.db2.gz VFUFEJWZSMPGPF-REWPJTCUSA-N 0 1 397.563 3.872 20 10 GHCDMN O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001275248902 912832637 /nfs/dbraw/zinc/83/26/37/912832637.db2.gz UXPILQXRESHJCW-CQSZACIVSA-N 0 1 390.833 3.716 20 10 GHCDMN CN1CCOc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000806325224 884586474 /nfs/dbraw/zinc/58/64/74/884586474.db2.gz OJVCREVCZGNQJA-UHFFFAOYSA-N 0 1 382.247 3.849 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000761979130 885068871 /nfs/dbraw/zinc/06/88/71/885068871.db2.gz GDWPFXDSRVNDTQ-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000761979130 885068883 /nfs/dbraw/zinc/06/88/83/885068883.db2.gz GDWPFXDSRVNDTQ-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000761979130 885068898 /nfs/dbraw/zinc/06/88/98/885068898.db2.gz GDWPFXDSRVNDTQ-OCTSTCLRSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000761979128 885069633 /nfs/dbraw/zinc/06/96/33/885069633.db2.gz GDWPFXDSRVNDTQ-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000761979128 885069652 /nfs/dbraw/zinc/06/96/52/885069652.db2.gz GDWPFXDSRVNDTQ-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1cncc(/C=C\C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000761979128 885069668 /nfs/dbraw/zinc/06/96/68/885069668.db2.gz GDWPFXDSRVNDTQ-BQHGXPCASA-N 0 1 385.895 3.543 20 10 GHCDMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1 ZINC000762000686 885163742 /nfs/dbraw/zinc/16/37/42/885163742.db2.gz OPNDDWKKNBDCJH-UHFFFAOYSA-N 0 1 393.461 3.547 20 10 GHCDMN Cc1cc(CCNC(=O)Cc2n[nH]c3c2CCCC3)c(C)n1-c1ccccc1 ZINC000777175124 885377372 /nfs/dbraw/zinc/37/73/72/885377372.db2.gz LCXMRYNZXNDULV-UHFFFAOYSA-N 0 1 376.504 3.597 20 10 GHCDMN Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2O)nnn1CC1CCCC1 ZINC000807837695 885800525 /nfs/dbraw/zinc/80/05/25/885800525.db2.gz AMAZODANIYNCMI-UHFFFAOYSA-N 0 1 383.279 3.719 20 10 GHCDMN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839319 885805568 /nfs/dbraw/zinc/80/55/68/885805568.db2.gz BXILNCNPTFZKHX-RYUDHWBXSA-N 0 1 387.307 3.600 20 10 GHCDMN Cc1cc(C)cc(NC(=O)[C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000862027660 886063627 /nfs/dbraw/zinc/06/36/27/886063627.db2.gz AYSKDHOHKAYDSL-IBGZPJMESA-N 0 1 381.520 3.599 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000747462708 886075774 /nfs/dbraw/zinc/07/57/74/886075774.db2.gz NNVZLRJVFAYVET-INIZCTEOSA-N 0 1 380.488 3.504 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000747462708 886075787 /nfs/dbraw/zinc/07/57/87/886075787.db2.gz NNVZLRJVFAYVET-INIZCTEOSA-N 0 1 380.488 3.504 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2n[nH]c(C)c2Br)cc1 ZINC000919694713 886149690 /nfs/dbraw/zinc/14/96/90/886149690.db2.gz GFTJQSXBVLIRPA-UHFFFAOYSA-N 0 1 379.302 3.599 20 10 GHCDMN C[C@](O)(C1CCN(Cc2c(O)cccc2Br)CC1)C(F)(F)F ZINC000862333163 886296615 /nfs/dbraw/zinc/29/66/15/886296615.db2.gz MTODJEGQNIXEOY-AWEZNQCLSA-N 0 1 382.220 3.680 20 10 GHCDMN C[C@](O)(C1CC[NH+](Cc2c([O-])cccc2Br)CC1)C(F)(F)F ZINC000862333163 886296629 /nfs/dbraw/zinc/29/66/29/886296629.db2.gz MTODJEGQNIXEOY-AWEZNQCLSA-N 0 1 382.220 3.680 20 10 GHCDMN CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cc(Br)ccc2[O-])c1C ZINC000862365778 886323345 /nfs/dbraw/zinc/32/33/45/886323345.db2.gz GLIXPUHTKRRXPY-UHFFFAOYSA-N 0 1 381.270 3.566 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)N1C[C@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001168245036 886617407 /nfs/dbraw/zinc/61/74/07/886617407.db2.gz XEPOFNWYBYMVBB-RBUKOAKNSA-N 0 1 396.531 3.981 20 10 GHCDMN Cc1cc(Cl)cc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1O ZINC000808712030 886695232 /nfs/dbraw/zinc/69/52/32/886695232.db2.gz ZJBFAZZPRCLSOU-LIRRHRJNSA-N 0 1 387.911 3.977 20 10 GHCDMN COC(=O)c1cc2ccccc2c(CN2CCc3nc(C4CC4)ncc3C2)c1O ZINC000863311578 887021997 /nfs/dbraw/zinc/02/19/97/887021997.db2.gz NNZOMLYYZXWGOY-UHFFFAOYSA-N 0 1 389.455 3.558 20 10 GHCDMN Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])cc1C ZINC001184361338 913147152 /nfs/dbraw/zinc/14/71/52/913147152.db2.gz QQXHVZSLOCWUDT-UHFFFAOYSA-N 0 1 394.471 3.803 20 10 GHCDMN COC(=O)c1cccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000809730297 887711364 /nfs/dbraw/zinc/71/13/64/887711364.db2.gz IPRWKMCTQOLGCX-UHFFFAOYSA-N 0 1 383.448 3.662 20 10 GHCDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000120043878 887769692 /nfs/dbraw/zinc/76/96/92/887769692.db2.gz NABIQWVNIBGOAD-IBGZPJMESA-N 0 1 386.561 3.937 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000809791105 887845965 /nfs/dbraw/zinc/84/59/65/887845965.db2.gz UFWVRYFODIQBKK-IBGZPJMESA-N 0 1 394.830 3.520 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)c4cccnc34)cc2)CC1 ZINC001132899431 889782942 /nfs/dbraw/zinc/78/29/42/889782942.db2.gz UZYZRPFMIPVAQV-UHFFFAOYSA-N 0 1 394.906 3.570 20 10 GHCDMN CC1(C)C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811777228 889949188 /nfs/dbraw/zinc/94/91/88/889949188.db2.gz AZFVAIUZFBGUJC-KNQAVFIVSA-N 0 1 381.472 3.718 20 10 GHCDMN COc1ccc([C@H](O)C2CCN(Cc3cc(F)cc(C(C)=O)c3O)CC2)cc1 ZINC000812854900 891004807 /nfs/dbraw/zinc/00/48/07/891004807.db2.gz AERPHXRKQILATE-NRFANRHFSA-N 0 1 387.451 3.688 20 10 GHCDMN CCc1ccc([C@H](C)NC(=O)CN2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000917089705 891081194 /nfs/dbraw/zinc/08/11/94/891081194.db2.gz GLPHASCPNDRGOT-IBGZPJMESA-N 0 1 395.547 3.647 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3c2ncn3C2CC2)C1 ZINC000814256840 892435762 /nfs/dbraw/zinc/43/57/62/892435762.db2.gz OSYWRRCCXWBYMF-OAHLLOKOSA-N 0 1 398.898 3.597 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncnc3c2ncn3C2CC2)C1 ZINC000814256840 892435772 /nfs/dbraw/zinc/43/57/72/892435772.db2.gz OSYWRRCCXWBYMF-OAHLLOKOSA-N 0 1 398.898 3.597 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825843068 892917687 /nfs/dbraw/zinc/91/76/87/892917687.db2.gz LFSFBPHOBQBDSA-LBPRGKRZSA-N 0 1 398.322 3.799 20 10 GHCDMN CCN(CC)c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1F ZINC000288495045 913785333 /nfs/dbraw/zinc/78/53/33/913785333.db2.gz RJYWAMLINFDSLE-SFHVURJKSA-N 0 1 387.499 3.772 20 10 GHCDMN COc1cc(CNCc2cc(C)nc(N3CCCC3)n2)c(O)c(C(C)(C)C)c1 ZINC000825986457 893732425 /nfs/dbraw/zinc/73/24/25/893732425.db2.gz CZXVGPYOXKVCJM-UHFFFAOYSA-N 0 1 384.524 3.687 20 10 GHCDMN CCOc1cc(NC2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)ncn1 ZINC000816571249 894950204 /nfs/dbraw/zinc/95/02/04/894950204.db2.gz XAXRPOVBOHEPDB-UHFFFAOYSA-N 0 1 378.476 3.811 20 10 GHCDMN COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816616011 894977582 /nfs/dbraw/zinc/97/75/82/894977582.db2.gz MBACSDXLFIUSLT-QHCPKHFHSA-N 0 1 381.472 3.646 20 10 GHCDMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128554747 895791723 /nfs/dbraw/zinc/79/17/23/895791723.db2.gz NBFYJMFMBLHDGE-VQTJNVASSA-N 0 1 395.547 3.529 20 10 GHCDMN COc1ccc(N2CC[C@@H](CN[C@H](c3ccn(C)n3)c3ccc(F)cc3)C2)cc1 ZINC000818341830 896121349 /nfs/dbraw/zinc/12/13/49/896121349.db2.gz HIYMDNXNJNDVAE-SBUREZEXSA-N 0 1 394.494 3.773 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1C ZINC001136177465 896317788 /nfs/dbraw/zinc/31/77/88/896317788.db2.gz NCAUOYGDHATPIY-UHFFFAOYSA-N 0 1 393.531 3.915 20 10 GHCDMN CCN(CC)[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1 ZINC000819581763 896825482 /nfs/dbraw/zinc/82/54/82/896825482.db2.gz FBEWGSUWPRHDMX-XXBNENTESA-N 0 1 395.547 3.721 20 10 GHCDMN Cc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1O ZINC000826298374 897242031 /nfs/dbraw/zinc/24/20/31/897242031.db2.gz PREFTWHDGMDVCR-UHFFFAOYSA-N 0 1 377.473 3.899 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CNc1ccn(C2CCOCC2)n1 ZINC000883175277 897342674 /nfs/dbraw/zinc/34/26/74/897342674.db2.gz CJHAVZXSGNBYRG-UHFFFAOYSA-N 0 1 386.677 3.968 20 10 GHCDMN CC[N@@H+](CCc1nccs1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000134002137 899412362 /nfs/dbraw/zinc/41/23/62/899412362.db2.gz SPDUDDACPARSEP-UHFFFAOYSA-N 0 1 382.485 3.850 20 10 GHCDMN Cc1cc(O)c(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1Cl ZINC000824626793 899725181 /nfs/dbraw/zinc/72/51/81/899725181.db2.gz CSERVAAZRTWCFE-UHFFFAOYSA-N 0 1 397.924 3.658 20 10 GHCDMN O=C(NC1CCN(Cc2ccc(Br)cc2O)CC1)c1ccsc1 ZINC000824621024 899744969 /nfs/dbraw/zinc/74/49/69/899744969.db2.gz FNMAOSYODLTMEF-UHFFFAOYSA-N 0 1 395.322 3.611 20 10 GHCDMN CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000824904154 899869843 /nfs/dbraw/zinc/86/98/43/899869843.db2.gz VATWUQQKJBLYOX-UHFFFAOYSA-N 0 1 387.911 3.758 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1Cl ZINC000825096825 899973070 /nfs/dbraw/zinc/97/30/70/899973070.db2.gz KHGKJWMKOGJFFF-UHFFFAOYSA-N 0 1 387.911 3.547 20 10 GHCDMN COc1cc(C)cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1OC ZINC000885940772 900648849 /nfs/dbraw/zinc/64/88/49/900648849.db2.gz QQNJNQPFFMEAET-UHFFFAOYSA-N 0 1 384.520 3.511 20 10 GHCDMN NC(=O)C1CCN(c2ccc(CNCc3csc(C(F)(F)F)c3)cc2)CC1 ZINC000886324715 900931316 /nfs/dbraw/zinc/93/13/16/900931316.db2.gz DKEKMQRFJUPWLF-UHFFFAOYSA-N 0 1 397.466 3.758 20 10 GHCDMN Fc1ccc2n[nH]c(CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)c2c1 ZINC001144205836 901285496 /nfs/dbraw/zinc/28/54/96/901285496.db2.gz NFARMAGABFQLKI-UHFFFAOYSA-N 0 1 394.372 3.923 20 10 GHCDMN CCCOc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c([O-])c1 ZINC000092645315 901504165 /nfs/dbraw/zinc/50/41/65/901504165.db2.gz WYQJQIZTSGREHH-UHFFFAOYSA-N 0 1 383.536 3.715 20 10 GHCDMN CCCOc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c([O-])c1 ZINC000092645315 901504192 /nfs/dbraw/zinc/50/41/92/901504192.db2.gz WYQJQIZTSGREHH-UHFFFAOYSA-N 0 1 383.536 3.715 20 10 GHCDMN CCOC(=O)c1coc2c1CN(Cc1cc(Br)c(F)cc1O)C2 ZINC001144306976 901686997 /nfs/dbraw/zinc/68/69/97/901686997.db2.gz YGSHEXWLQFACAP-UHFFFAOYSA-N 0 1 384.201 3.579 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001144308830 901703239 /nfs/dbraw/zinc/70/32/39/901703239.db2.gz ZBDLJHVCHFWOIN-OAHLLOKOSA-N 0 1 393.247 3.599 20 10 GHCDMN COc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000845924220 902533139 /nfs/dbraw/zinc/53/31/39/902533139.db2.gz IXHQCAWJVRFLNL-GASCZTMLSA-N 0 1 376.447 3.877 20 10 GHCDMN COc1cc(Br)cc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846017315 902598291 /nfs/dbraw/zinc/59/82/91/902598291.db2.gz MHXKTGQDVSNNPT-MGPLVRAMSA-N 0 1 384.245 3.514 20 10 GHCDMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000846181604 902769841 /nfs/dbraw/zinc/76/98/41/902769841.db2.gz COEAMQCHEKRIGJ-PDSXEYIOSA-N 0 1 376.447 3.574 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1CCCc1ccccc1)cc2=O ZINC000846255138 902828649 /nfs/dbraw/zinc/82/86/49/902828649.db2.gz HSFIUTGYLVSAGW-GOSISDBHSA-N 0 1 394.475 3.511 20 10 GHCDMN C[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773001850 904355681 /nfs/dbraw/zinc/35/56/81/904355681.db2.gz QKICHJZNJCKGPK-CQSZACIVSA-N 0 1 386.446 3.539 20 10 GHCDMN CCCCN(CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccccc1O ZINC000801595893 921174760 /nfs/dbraw/zinc/17/47/60/921174760.db2.gz LXARUGGJBBHKLB-UHFFFAOYSA-N 0 1 376.526 3.683 20 10 GHCDMN COC(=O)c1ccc(C[C@H](C)N2CCc3c(c4cc(OC)ccc4n3C)C2)cc1 ZINC001173728815 906693666 /nfs/dbraw/zinc/69/36/66/906693666.db2.gz XZPYHOCGKKNODJ-INIZCTEOSA-N 0 1 392.499 3.963 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620824 906802568 /nfs/dbraw/zinc/80/25/68/906802568.db2.gz ZFNVLTJUHORNCG-AWEZNQCLSA-N 0 1 376.888 3.800 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1[O-] ZINC000180620824 906802575 /nfs/dbraw/zinc/80/25/75/906802575.db2.gz ZFNVLTJUHORNCG-AWEZNQCLSA-N 0 1 376.888 3.800 20 10 GHCDMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000773406320 907207639 /nfs/dbraw/zinc/20/76/39/907207639.db2.gz BPWPZGJXBRYSIA-QZTJIDSGSA-N 0 1 395.551 3.733 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000773411979 907234888 /nfs/dbraw/zinc/23/48/88/907234888.db2.gz BXLYYQDBSPQDGI-NRFANRHFSA-N 0 1 395.547 3.729 20 10 GHCDMN COc1ccc(C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)CCCO)cc1 ZINC001175121628 907389562 /nfs/dbraw/zinc/38/95/62/907389562.db2.gz VNHKERKFXFTGGI-OAHLLOKOSA-N 0 1 389.467 3.906 20 10 GHCDMN COc1ccc(C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)CCCO)cc1 ZINC001175121628 907389578 /nfs/dbraw/zinc/38/95/78/907389578.db2.gz VNHKERKFXFTGGI-OAHLLOKOSA-N 0 1 389.467 3.906 20 10 GHCDMN CCC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000779544393 907540705 /nfs/dbraw/zinc/54/07/05/907540705.db2.gz MMZPBYXSBIMOFA-ZAHGZRRWSA-N 0 1 380.488 3.624 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773495803 907554193 /nfs/dbraw/zinc/55/41/93/907554193.db2.gz ICKIWDFSJFTBLL-UHFFFAOYSA-N 0 1 394.475 3.819 20 10 GHCDMN Cc1ccc2[nH]ncc2c1Nc1c(CC(N)=O)cccc1C(=O)c1ccccc1 ZINC001175526386 907602633 /nfs/dbraw/zinc/60/26/33/907602633.db2.gz NOHPXDTUIULJDZ-UHFFFAOYSA-N 0 1 384.439 3.874 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000192516328 907709310 /nfs/dbraw/zinc/70/93/10/907709310.db2.gz FOZRPPGNNFTWAM-HSZRJFAPSA-N 0 1 394.515 3.546 20 10 GHCDMN CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185215320 907732778 /nfs/dbraw/zinc/73/27/78/907732778.db2.gz CKKQKSCAICNTAK-ZDUSSCGKSA-N 0 1 383.330 3.842 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000797135311 909688255 /nfs/dbraw/zinc/68/82/55/909688255.db2.gz XZPWKGYYPMOYNA-AMXDTQDGSA-N 0 1 382.323 3.884 20 10 GHCDMN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)[C@H]1C ZINC001180935552 910439707 /nfs/dbraw/zinc/43/97/07/910439707.db2.gz OWRHOSUGOLEJEL-HOCLYGCPSA-N 0 1 395.341 3.823 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(Br)ncc1F ZINC000273864021 911067516 /nfs/dbraw/zinc/06/75/16/911067516.db2.gz MXSCHLPOMKGFKG-CYBMUJFWSA-N 0 1 394.288 3.671 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1[nH]nc2ccc(O)cc21 ZINC001187253572 915164036 /nfs/dbraw/zinc/16/40/36/915164036.db2.gz IORROKLKFGCEFN-NRFANRHFSA-N 0 1 379.460 3.573 20 10 GHCDMN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000097476985 915586947 /nfs/dbraw/zinc/58/69/47/915586947.db2.gz YPCLEJHEWNIQHD-MRXNPFEDSA-N 0 1 387.911 3.888 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(Cl)c2[O-])CC1 ZINC000292715491 915811871 /nfs/dbraw/zinc/81/18/71/915811871.db2.gz DQDDBUBOCVGQGZ-UHFFFAOYSA-N 0 1 379.913 3.515 20 10 GHCDMN Oc1ccc(Br)cc1CN1CCC(Oc2ncccc2F)CC1 ZINC000775204622 916253333 /nfs/dbraw/zinc/25/33/33/916253333.db2.gz AOGYEHWELHJBOG-UHFFFAOYSA-N 0 1 381.245 3.732 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775488860 918263104 /nfs/dbraw/zinc/26/31/04/918263104.db2.gz VQPNCDWFPGILGD-WMLDXEAASA-N 0 1 380.282 3.635 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cc(Cl)ccc1[O-] ZINC000775508606 918440303 /nfs/dbraw/zinc/44/03/03/918440303.db2.gz DNAKUMQFFFDYKO-MJGOQNOKSA-N 0 1 385.895 3.925 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1[O-] ZINC000775503950 918459149 /nfs/dbraw/zinc/45/91/49/918459149.db2.gz QUUYGQLRMPLZBX-FUHWJXTLSA-N 0 1 397.357 3.839 20 10 GHCDMN COc1cc(Cl)cc(CN(CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000802652810 922309545 /nfs/dbraw/zinc/30/95/45/922309545.db2.gz KDIJAGSNYVWGBY-UHFFFAOYSA-N 0 1 382.913 3.562 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802781725 922398164 /nfs/dbraw/zinc/39/81/64/922398164.db2.gz FCWHQQMSOLQPQS-SLFFLAALSA-N 0 1 384.907 3.930 20 10 GHCDMN CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276078284 925247784 /nfs/dbraw/zinc/24/77/84/925247784.db2.gz KXXVWSNJIXSKOO-LJQANCHMSA-N 0 1 395.341 3.912 20 10 GHCDMN CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276078284 925247794 /nfs/dbraw/zinc/24/77/94/925247794.db2.gz KXXVWSNJIXSKOO-LJQANCHMSA-N 0 1 395.341 3.912 20 10 GHCDMN CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(O)cccc1Br ZINC001276078284 925247804 /nfs/dbraw/zinc/24/78/04/925247804.db2.gz KXXVWSNJIXSKOO-LJQANCHMSA-N 0 1 395.341 3.912 20 10 GHCDMN Cc1cc2c[nH]nc2c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000726534024 926728514 /nfs/dbraw/zinc/72/85/14/926728514.db2.gz SNNKIRWOURAZJC-HXUWFJFHSA-N 0 1 392.503 3.759 20 10 GHCDMN Cc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000797606142 932342359 /nfs/dbraw/zinc/34/23/59/932342359.db2.gz ZYQPGLOAKDXNLZ-GLJUWKHASA-N 0 1 384.314 3.622 20 10 GHCDMN O=C(C[C@@H]1CCC(F)(F)C1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000797943566 932466308 /nfs/dbraw/zinc/46/63/08/932466308.db2.gz SWQFCAGQAKJFMY-XJKSGUPXSA-N 0 1 386.870 3.952 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000798504472 932678801 /nfs/dbraw/zinc/67/88/01/932678801.db2.gz JQXCBMSVYAFGGU-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN O=C(CCCC1CCOCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000798981616 932847238 /nfs/dbraw/zinc/84/72/38/932847238.db2.gz OHIHYEQELQJLTF-LJQANCHMSA-N 0 1 394.943 3.723 20 10 GHCDMN CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000828035918 935567261 /nfs/dbraw/zinc/56/72/61/935567261.db2.gz NTNGSQJTBQCJNK-UHFFFAOYSA-N 0 1 398.290 3.750 20 10 GHCDMN COc1ccc(N(C)CC[N@H+](C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001599584447 993593840 /nfs/dbraw/zinc/59/38/40/993593840.db2.gz SADHSKGAJKDBLU-UHFFFAOYSA-N 0 1 395.459 3.617 20 10 GHCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001599584447 993593848 /nfs/dbraw/zinc/59/38/48/993593848.db2.gz SADHSKGAJKDBLU-UHFFFAOYSA-N 0 1 395.459 3.617 20 10 GHCDMN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)c(O)cc1C ZINC000318627772 1032518480 /nfs/dbraw/zinc/51/84/80/1032518480.db2.gz DOGLWHWXCVBXBT-UHFFFAOYSA-N 0 1 386.267 3.581 20 10 GHCDMN CCCOc1ccc(CN2CCN(c3ccc(OCCOC)cc3)CC2)cc1 ZINC001204310538 1032753474 /nfs/dbraw/zinc/75/34/74/1032753474.db2.gz VSFAWMPDSNWRFJ-UHFFFAOYSA-N 0 1 384.520 3.823 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cncc(F)c2)C1 ZINC000562653414 1018488160 /nfs/dbraw/zinc/48/81/60/1018488160.db2.gz UUXYBMXBECUKRM-INIZCTEOSA-N 0 1 394.494 3.819 20 10 GHCDMN COc1cc(Br)cc(CN2CCC3(CCC(=O)CC3)CC2)c1O ZINC001204342146 1032782964 /nfs/dbraw/zinc/78/29/64/1032782964.db2.gz PTRBNXKHTDNRRH-UHFFFAOYSA-N 0 1 382.298 3.889 20 10 GHCDMN COc1ccc(-c2cnc(NCc3ccc(N4CCOCC4)cc3)n2C)cc1 ZINC000834478610 1021215719 /nfs/dbraw/zinc/21/57/19/1021215719.db2.gz MVJKQJIZYUSABJ-UHFFFAOYSA-N 0 1 378.476 3.544 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001140340113 1021448722 /nfs/dbraw/zinc/44/87/22/1021448722.db2.gz RMDBTAQFYHTUEM-UHFFFAOYSA-N 0 1 393.940 3.621 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cc(Br)ccc1[O-] ZINC000834911424 1021674716 /nfs/dbraw/zinc/67/47/16/1021674716.db2.gz MZNWWMHZYWTHDD-SWLSCSKDSA-N 0 1 392.297 3.926 20 10 GHCDMN COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140464369 1021755855 /nfs/dbraw/zinc/75/58/55/1021755855.db2.gz MVQUBZBSHOOLCJ-UHFFFAOYSA-N 0 1 389.883 3.840 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001140466850 1021763685 /nfs/dbraw/zinc/76/36/85/1021763685.db2.gz JUNGWTALEAWUCP-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001140466850 1021763705 /nfs/dbraw/zinc/76/37/05/1021763705.db2.gz JUNGWTALEAWUCP-UHFFFAOYSA-N 0 1 385.895 3.569 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC[C@H](F)C3)cc2)CC1 ZINC001140481678 1021785311 /nfs/dbraw/zinc/78/53/11/1021785311.db2.gz ZWBXNUAWYDJSPB-SFHVURJKSA-N 0 1 377.504 3.678 20 10 GHCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001140585359 1022010328 /nfs/dbraw/zinc/01/03/28/1022010328.db2.gz GPWCUWSCJAPEJW-NSHDSACASA-N 0 1 389.324 3.523 20 10 GHCDMN CC(C)c1noc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140663366 1022202474 /nfs/dbraw/zinc/20/24/74/1022202474.db2.gz BVJAILLXIOKVCW-QGZVFWFLSA-N 0 1 388.487 3.548 20 10 GHCDMN CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001140922514 1022891371 /nfs/dbraw/zinc/89/13/71/1022891371.db2.gz SIOKNEKHBLVSJE-ROUUACIJSA-N 0 1 379.932 3.990 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3nc4ccccc4cc3C)CC2)c(OC)c1 ZINC001141029125 1023278394 /nfs/dbraw/zinc/27/83/94/1023278394.db2.gz JQHVRQBBRQXCFJ-UHFFFAOYSA-N 0 1 393.487 3.588 20 10 GHCDMN COc1cc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1 ZINC001141031718 1023298545 /nfs/dbraw/zinc/29/85/45/1023298545.db2.gz ISFDHZGWMGRIHE-UHFFFAOYSA-N 0 1 396.409 3.750 20 10 GHCDMN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cc(Br)ccc1[O-] ZINC000756369863 1023612679 /nfs/dbraw/zinc/61/26/79/1023612679.db2.gz DASSBIPDPBGXOL-GFCCVEGCSA-N 0 1 378.266 3.819 20 10 GHCDMN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756457845 1023661931 /nfs/dbraw/zinc/66/19/31/1023661931.db2.gz GVYDNEVXSFRBSV-ZBFHGGJFSA-N 0 1 394.309 3.862 20 10 GHCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000756489721 1023682304 /nfs/dbraw/zinc/68/23/04/1023682304.db2.gz IXZMIZNJPMVKND-SNVBAGLBSA-N 0 1 381.226 3.922 20 10 GHCDMN CN1CCN(c2ccc(CNc3nccc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC001156656493 1033159569 /nfs/dbraw/zinc/15/95/69/1033159569.db2.gz WLLRPECDTJAYLJ-UHFFFAOYSA-N 0 1 377.467 3.647 20 10 GHCDMN COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000756762777 1023805196 /nfs/dbraw/zinc/80/51/96/1023805196.db2.gz ZQLTZFHTBOXLAX-LBPRGKRZSA-N 0 1 396.281 3.902 20 10 GHCDMN CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]2CF)CC1 ZINC001138123729 1024167110 /nfs/dbraw/zinc/16/71/10/1024167110.db2.gz JCMVGQNAUQPTAO-HUUCEWRRSA-N 0 1 382.451 3.606 20 10 GHCDMN Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)c1 ZINC001205015021 1033208516 /nfs/dbraw/zinc/20/85/16/1033208516.db2.gz DRDRGYBNOMUINO-UHFFFAOYSA-N 0 1 395.381 3.950 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001141374805 1024767158 /nfs/dbraw/zinc/76/71/58/1024767158.db2.gz PXKJHDSVNMMVNQ-HNNXBMFYSA-N 0 1 383.673 3.777 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CN(Cc1cocn1)Cc1cocn1 ZINC001141375234 1024768383 /nfs/dbraw/zinc/76/83/83/1024768383.db2.gz ZVGKETMJTJLGGD-UHFFFAOYSA-N 0 1 398.644 3.987 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H](Oc3nccnc3C)C2)c(OC)c1 ZINC001138391904 1024769605 /nfs/dbraw/zinc/76/96/05/1024769605.db2.gz IOIRVCOTKAMBSG-FQEVSTJZSA-N 0 1 384.524 3.683 20 10 GHCDMN CN(Cc1cnn(C)c1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838786252 1025364250 /nfs/dbraw/zinc/36/42/50/1025364250.db2.gz GJOLAZKJGXGGEL-UHFFFAOYSA-N 0 1 377.330 3.805 20 10 GHCDMN CCOc1ccc(N2CCN(Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC001139149534 1025966740 /nfs/dbraw/zinc/96/67/40/1025966740.db2.gz FMXWPZHHDAXKTN-UHFFFAOYSA-N 0 1 379.504 3.908 20 10 GHCDMN CCc1cc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc(N2CCOCC2)n1 ZINC001163486149 1026210453 /nfs/dbraw/zinc/21/04/53/1026210453.db2.gz DZLALXXVSXIPSC-NRFANRHFSA-N 0 1 396.535 3.934 20 10 GHCDMN Cc1cc(CN2CCN(c3ccc(Br)cn3)CC2)ccc1N(C)C ZINC001139669702 1026524639 /nfs/dbraw/zinc/52/46/39/1026524639.db2.gz IDUWTUYSBPKOHB-UHFFFAOYSA-N 0 1 389.341 3.541 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)CN1c1ccc(F)c(F)c1 ZINC001139684960 1026538341 /nfs/dbraw/zinc/53/83/41/1026538341.db2.gz SAYWANFCFMMAQE-HXUWFJFHSA-N 0 1 394.368 3.578 20 10 GHCDMN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC001164597468 1026562497 /nfs/dbraw/zinc/56/24/97/1026562497.db2.gz OEAQNLPWQQRYQC-UHFFFAOYSA-N 0 1 398.894 3.947 20 10 GHCDMN COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099543 1026876560 /nfs/dbraw/zinc/87/65/60/1026876560.db2.gz JTKOKKVYZXIIKM-KDOFPFPSSA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1Br)C2 ZINC001140099543 1026876568 /nfs/dbraw/zinc/87/65/68/1026876568.db2.gz JTKOKKVYZXIIKM-KDOFPFPSSA-N 0 1 384.314 3.562 20 10 GHCDMN COc1ccccc1O[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001140101163 1026879755 /nfs/dbraw/zinc/87/97/55/1026879755.db2.gz LQGPURWSQYLFCT-ZDUSSCGKSA-N 0 1 378.266 3.817 20 10 GHCDMN COc1ccccc1O[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001140101163 1026879760 /nfs/dbraw/zinc/87/97/60/1026879760.db2.gz LQGPURWSQYLFCT-ZDUSSCGKSA-N 0 1 378.266 3.817 20 10 GHCDMN Oc1cccc(Br)c1CN1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001140101204 1026881347 /nfs/dbraw/zinc/88/13/47/1026881347.db2.gz MNXWVSYUACDZLM-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001140101204 1026881354 /nfs/dbraw/zinc/88/13/54/1026881354.db2.gz MNXWVSYUACDZLM-UHFFFAOYSA-N 0 1 398.688 3.642 20 10 GHCDMN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC001203565272 1027436223 /nfs/dbraw/zinc/43/62/23/1027436223.db2.gz YRMIIYUICCNRHO-NXEZZACHSA-N 0 1 393.119 3.510 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001203575246 1027443491 /nfs/dbraw/zinc/44/34/91/1027443491.db2.gz HQEKLRYXAHRUQM-LNLFQRSKSA-N 0 1 395.286 3.905 20 10 GHCDMN CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1Cc1cnn(C)c1 ZINC001203579239 1027446759 /nfs/dbraw/zinc/44/67/59/1027446759.db2.gz OZPHRVDCPHTLHH-IRXDYDNUSA-N 0 1 384.307 3.655 20 10 GHCDMN O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CN1c1ccccn1 ZINC001203577424 1027447052 /nfs/dbraw/zinc/44/70/52/1027447052.db2.gz CKSKREXUHMXSLP-IBGZPJMESA-N 0 1 392.286 3.723 20 10 GHCDMN COc1cccc(CN2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1O ZINC001203594391 1027459733 /nfs/dbraw/zinc/45/97/33/1027459733.db2.gz XXNFLZGVRYWEIB-IBGZPJMESA-N 0 1 397.519 3.533 20 10 GHCDMN COC[C@H]1CN(Cc2ccc(OC)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001203622322 1027483541 /nfs/dbraw/zinc/48/35/41/1027483541.db2.gz YCBMSRBAGCKNMV-LJQANCHMSA-N 0 1 385.508 3.533 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001203639763 1027498213 /nfs/dbraw/zinc/49/82/13/1027498213.db2.gz KAHCBOGIQGEONK-KRWDZBQOSA-N 0 1 396.325 3.705 20 10 GHCDMN O=C1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)N1Cc1ccncc1 ZINC001203655746 1027509774 /nfs/dbraw/zinc/50/97/74/1027509774.db2.gz CBPRRBMFMAVYEV-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN O=C1CC[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)N1Cc1ccncc1 ZINC001203655746 1027509782 /nfs/dbraw/zinc/50/97/82/1027509782.db2.gz CBPRRBMFMAVYEV-NRFANRHFSA-N 0 1 385.895 3.598 20 10 GHCDMN COCC[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203664509 1027516092 /nfs/dbraw/zinc/51/60/92/1027516092.db2.gz IDWJEDWPQIKPQM-MRXNPFEDSA-N 0 1 384.904 3.503 20 10 GHCDMN COCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203664509 1027516104 /nfs/dbraw/zinc/51/61/04/1027516104.db2.gz IDWJEDWPQIKPQM-MRXNPFEDSA-N 0 1 384.904 3.503 20 10 GHCDMN COCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203664509 1027516107 /nfs/dbraw/zinc/51/61/07/1027516107.db2.gz IDWJEDWPQIKPQM-MRXNPFEDSA-N 0 1 384.904 3.503 20 10 GHCDMN CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)C1=O ZINC001203659379 1027516523 /nfs/dbraw/zinc/51/65/23/1027516523.db2.gz UEKSJGUSHSQQSF-IBGZPJMESA-N 0 1 384.907 3.884 20 10 GHCDMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840483435 1027567818 /nfs/dbraw/zinc/56/78/18/1027567818.db2.gz KHHAHVYEIQBTSF-BPUTZDHNSA-N 0 1 386.544 3.684 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1N(C)C ZINC000840759459 1027796895 /nfs/dbraw/zinc/79/68/95/1027796895.db2.gz MLSQNUCDLIGHJB-HNNXBMFYSA-N 0 1 375.463 3.718 20 10 GHCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C2CCCC2)c1 ZINC000840760225 1027798371 /nfs/dbraw/zinc/79/83/71/1027798371.db2.gz USBNOPWZRDZWAL-HNNXBMFYSA-N 0 1 390.478 3.964 20 10 GHCDMN 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Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)n1 ZINC001233111430 1038901942 /nfs/dbraw/zinc/90/19/42/1038901942.db2.gz NHIVFBUDOQZGJE-MRXNPFEDSA-N 0 1 377.282 3.820 20 10 GHCDMN Cc1cnc(O[C@@H]2CCCN(Cc3cc(Br)cc(C)c3O)C2)nc1 ZINC001233111771 1038902998 /nfs/dbraw/zinc/90/29/98/1038902998.db2.gz XBTGFJRWONZZTJ-MRXNPFEDSA-N 0 1 392.297 3.605 20 10 GHCDMN COc1cc(O)c(CN2CC[C@@H](OCc3ccccc3)C2)cc1Br ZINC001233139402 1038918871 /nfs/dbraw/zinc/91/88/71/1038918871.db2.gz LPHXGDDEINEGCK-MRXNPFEDSA-N 0 1 392.293 3.954 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001233289609 1039071009 /nfs/dbraw/zinc/07/10/09/1039071009.db2.gz CTFXVIVCAODLEK-UHFFFAOYSA-N 0 1 396.915 3.887 20 10 GHCDMN [O-]c1c(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cccc1C(F)(F)F ZINC001233416989 1039274518 /nfs/dbraw/zinc/27/45/18/1039274518.db2.gz DZWLZUGQJNIMDM-KBAYOESNSA-N 0 1 385.426 3.960 20 10 GHCDMN [O-]c1c(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cccc1C(F)(F)F ZINC001233416898 1039275971 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COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1Cl ZINC001236803615 1041905572 /nfs/dbraw/zinc/90/55/72/1041905572.db2.gz INZKLVFSTVXDFY-HIFRSBDPSA-N 0 1 393.940 3.607 20 10 GHCDMN COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c([O-])c1Cl ZINC001236803618 1041905602 /nfs/dbraw/zinc/90/56/02/1041905602.db2.gz INZKLVFSTVXDFY-UKRRQHHQSA-N 0 1 393.940 3.607 20 10 GHCDMN COc1cc([O-])c(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)c(Cl)c1 ZINC001236807460 1041908685 /nfs/dbraw/zinc/90/86/85/1041908685.db2.gz GUKXEXUOVFNMJG-UHFFFAOYSA-N 0 1 384.904 3.887 20 10 GHCDMN COc1ccc(C[N@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1Cl ZINC001236808351 1041908921 /nfs/dbraw/zinc/90/89/21/1041908921.db2.gz XIWQJSVRQMGTGD-JSGCOSHPSA-N 0 1 384.904 3.789 20 10 GHCDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C[C@@H]1c1ccc(F)cc1 ZINC001236809118 1041909522 /nfs/dbraw/zinc/90/95/22/1041909522.db2.gz JBMXROJBFFMJJD-CVEARBPZSA-N 0 1 393.842 3.582 20 10 GHCDMN 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3.567 20 10 GHCDMN CC[C@H]1[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC[C@]12CCC(=O)N2CCOC ZINC001237122587 1042049498 /nfs/dbraw/zinc/04/94/98/1042049498.db2.gz WLKKLOBQHATQSY-XLIONFOSSA-N 0 1 398.906 3.567 20 10 GHCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001237123123 1042050932 /nfs/dbraw/zinc/05/09/32/1042050932.db2.gz HOOROKCWXKEBFL-HNNXBMFYSA-N 0 1 392.858 3.782 20 10 GHCDMN O=C1C[C@@]2(CC[N@@H+](Cc3c([O-])ccc(F)c3Cl)C2)CN1c1cccc(F)c1 ZINC001237124084 1042051827 /nfs/dbraw/zinc/05/18/27/1042051827.db2.gz JFXXTIMQZDTGFB-HXUWFJFHSA-N 0 1 392.833 3.953 20 10 GHCDMN O=C1C[C@@]2(CC[N@H+](Cc3c([O-])ccc(F)c3Cl)C2)CN1c1cccc(F)c1 ZINC001237124084 1042051831 /nfs/dbraw/zinc/05/18/31/1042051831.db2.gz JFXXTIMQZDTGFB-HXUWFJFHSA-N 0 1 392.833 3.953 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135203 1042057636 /nfs/dbraw/zinc/05/76/36/1042057636.db2.gz GSUHQFCVQPLKDI-DZGCQCFKSA-N 0 1 386.414 3.852 20 10 GHCDMN CCn1ncc2c1CN(Cc1cc(Cl)cc(F)c1O)C[C@@H]2COCC1CC1 ZINC001237618731 1042284756 /nfs/dbraw/zinc/28/47/56/1042284756.db2.gz LKLVWQFNFBGPLO-OAHLLOKOSA-N 0 1 393.890 3.927 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001237618771 1042285462 /nfs/dbraw/zinc/28/54/62/1042285462.db2.gz KUSHINBSVRGWLT-OXJNMPFZSA-N 0 1 392.858 3.782 20 10 GHCDMN O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237619455 1042286330 /nfs/dbraw/zinc/28/63/30/1042286330.db2.gz QGVKPXNHOYRHIV-GOSISDBHSA-N 0 1 380.872 3.875 20 10 GHCDMN CS(=O)(=O)c1ccc(C2CCN(Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC001237623766 1042290837 /nfs/dbraw/zinc/29/08/37/1042290837.db2.gz KCSSSGFLDBAFID-UHFFFAOYSA-N 0 1 397.899 3.968 20 10 GHCDMN [O-]c1c(I)cccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001237778726 1042365718 /nfs/dbraw/zinc/36/57/18/1042365718.db2.gz AQNNVGSEEJOGQX-HNNXBMFYSA-N 0 1 394.256 3.599 20 10 GHCDMN CCOC(=O)CN(CC)Cc1cc(Br)cc(C(F)(F)F)c1O ZINC001237793096 1042373354 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HKTYXWGMDFMDRD-QGZVFWFLSA-N 0 1 378.875 3.518 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(-c2nnc(CCN3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC001258138572 1044426031 /nfs/dbraw/zinc/42/60/31/1044426031.db2.gz MIBVYJAYNHYAGZ-ROUUACIJSA-N 0 1 380.492 3.796 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2c1CCC2 ZINC001294860203 1044821544 /nfs/dbraw/zinc/82/15/44/1044821544.db2.gz RWRZLJMQCULZLG-SFHVURJKSA-N 0 1 384.907 3.929 20 10 GHCDMN CC(C)(C)COc1cccc(F)c1NS(=O)(=O)c1cccc2nonc21 ZINC001260442264 1045496832 /nfs/dbraw/zinc/49/68/32/1045496832.db2.gz TUHAVIDBTZUQML-UHFFFAOYSA-N 0 1 379.413 3.588 20 10 GHCDMN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001299071968 1046006046 /nfs/dbraw/zinc/00/60/46/1046006046.db2.gz CVHWSIFSLKXQSH-MRXNPFEDSA-N 0 1 385.851 3.924 20 10 GHCDMN COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(Br)cc3[O-])C2)cc1 ZINC001261677482 1046062914 /nfs/dbraw/zinc/06/29/14/1046062914.db2.gz SJJAGWJJPGKDLD-AWEZNQCLSA-N 0 1 391.309 3.779 20 10 GHCDMN CC(C)NC(=O)N1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001279683890 1047912620 /nfs/dbraw/zinc/91/26/20/1047912620.db2.gz LBQXXBYXOLLKQA-UHFFFAOYSA-N 0 1 383.895 3.591 20 10 GHCDMN CCNC(=O)c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000725846175 1048232152 /nfs/dbraw/zinc/23/21/52/1048232152.db2.gz UWVCJKFGDAVWEV-UHFFFAOYSA-N 0 1 396.491 3.625 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3Cc3ccccc3)cc2)CC1 ZINC001288334407 1049047537 /nfs/dbraw/zinc/04/75/37/1049047537.db2.gz GJARQQKFYXWVKX-UPVQGACJSA-N 0 1 391.559 3.714 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000752910812 1049345082 /nfs/dbraw/zinc/34/50/82/1049345082.db2.gz FLNLCSSSJJQHPZ-GOSISDBHSA-N 0 1 392.507 3.750 20 10 GHCDMN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000734851949 1049810807 /nfs/dbraw/zinc/81/08/07/1049810807.db2.gz MWKUCBUZZNEMJR-GOSISDBHSA-N 0 1 381.480 3.851 20 10 GHCDMN CN1C(=O)COc2ccc(NCc3cc(Cl)cc(Br)c3O)cc21 ZINC001308280857 1049935893 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CCN(CC(F)(F)F)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435527464 850613706 /nfs/dbraw/zinc/61/37/06/850613706.db2.gz RRLSTRCGLNBINF-UHFFFAOYSA-N 0 1 381.442 3.819 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435527464 850613711 /nfs/dbraw/zinc/61/37/11/850613711.db2.gz RRLSTRCGLNBINF-UHFFFAOYSA-N 0 1 381.442 3.819 20 10 GHCDMN COc1ccccc1CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435656970 850727726 /nfs/dbraw/zinc/72/77/26/850727726.db2.gz SQTZEEPNEHEOMS-UHFFFAOYSA-N 0 1 391.515 3.733 20 10 GHCDMN Cc1cc(CN2CCN(Cc3cc4oc5ccccc5c4cc3O)CC2)no1 ZINC000732524535 862335569 /nfs/dbraw/zinc/33/55/69/862335569.db2.gz FPPCDKCCIDSVJH-UHFFFAOYSA-N 0 1 377.444 3.906 20 10 GHCDMN Cc1cc(CN2CC[NH+](Cc3cc4oc5ccccc5c4cc3[O-])CC2)no1 ZINC000732524535 862335587 /nfs/dbraw/zinc/33/55/87/862335587.db2.gz FPPCDKCCIDSVJH-UHFFFAOYSA-N 0 1 377.444 3.906 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCCC[C@H]2CCO)C1 ZINC000671897553 855171901 /nfs/dbraw/zinc/17/19/01/855171901.db2.gz 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GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc(O)cc2)C1 ZINC000444301030 863840097 /nfs/dbraw/zinc/84/00/97/863840097.db2.gz KLJJFSBPZDQBAD-UHFFFAOYSA-N 0 1 391.515 3.772 20 10 GHCDMN CCCc1nccnc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000622966964 865862421 /nfs/dbraw/zinc/86/24/21/865862421.db2.gz QLBPUNSYXWQMJQ-UHFFFAOYSA-N 0 1 391.519 3.789 20 10 GHCDMN Cc1cnc2c(c1)N(C(=O)Cn1c3ccccc3c3c1CCN(C(C)C)C3)CC2 ZINC000623232199 866113798 /nfs/dbraw/zinc/11/37/98/866113798.db2.gz ZBVDXXYLJCPQMK-UHFFFAOYSA-N 0 1 388.515 3.701 20 10 GHCDMN CCN(CC)c1ccc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000741677925 866716012 /nfs/dbraw/zinc/71/60/12/866716012.db2.gz FOXOTPUCILIEDQ-UHFFFAOYSA-N 0 1 396.579 3.689 20 10 GHCDMN CCc1nsc(N2CCN(Cc3c4c(ccc3O)oc3c4CCCC3)CC2)n1 ZINC000743397229 868157726 /nfs/dbraw/zinc/15/77/26/868157726.db2.gz MQFPHKIYJYWRAV-UHFFFAOYSA-N 0 1 398.532 3.753 20 10 GHCDMN CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cc(Br)ccc1O ZINC000743874122 868471718 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C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000527937249 873777916 /nfs/dbraw/zinc/77/79/16/873777916.db2.gz HFMBFVREZZDESF-ZANVPECISA-N 0 1 378.192 3.805 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769119484 873821963 /nfs/dbraw/zinc/82/19/63/873821963.db2.gz AHYTZPNDYPORRJ-GFCCVEGCSA-N 0 1 399.875 3.691 20 10 GHCDMN Cc1cc(O)c(CN(CCO)Cc2cc(Br)ccc2F)cc1C ZINC000769223954 873901619 /nfs/dbraw/zinc/90/16/19/873901619.db2.gz SQMZSGFSPXTMJV-UHFFFAOYSA-N 0 1 382.273 3.905 20 10 GHCDMN CN(C)[C@H](CNC(=O)NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000769492652 874099081 /nfs/dbraw/zinc/09/90/81/874099081.db2.gz BJUFJDMRTLSPJW-MRXNPFEDSA-N 0 1 381.398 3.513 20 10 GHCDMN CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2O)o1 ZINC000769541339 874145160 /nfs/dbraw/zinc/14/51/60/874145160.db2.gz UWVDLOYJGGJLDP-UHFFFAOYSA-N 0 1 382.254 3.947 20 10 GHCDMN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCN1c1ccccc1C(F)(F)F ZINC000769843341 874321179 /nfs/dbraw/zinc/32/11/79/874321179.db2.gz MPSZKLJSTPPDJM-MRXNPFEDSA-N 0 1 376.378 3.535 20 10 GHCDMN O=C(c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1)N1CCCC1 ZINC000858090247 882835495 /nfs/dbraw/zinc/83/54/95/882835495.db2.gz JKMBBPUMZJREFR-UHFFFAOYSA-N 0 1 389.293 3.681 20 10 GHCDMN CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000770285381 874568416 /nfs/dbraw/zinc/56/84/16/874568416.db2.gz BVNSDUWTNIKAFT-UHFFFAOYSA-N 0 1 398.931 3.941 20 10 GHCDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3csc(C(F)(F)F)c3)cc2)C1 ZINC000858104608 882849674 /nfs/dbraw/zinc/84/96/74/882849674.db2.gz QZRAOFUZRYFOLX-OAHLLOKOSA-N 0 1 397.466 3.758 20 10 GHCDMN O=C(Cc1cccc(F)c1F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771067618 875019604 /nfs/dbraw/zinc/01/96/04/875019604.db2.gz UYGZJAIAISZFGI-MRXNPFEDSA-N 0 1 394.849 3.647 20 10 GHCDMN Cc1ccc([C@@H](C)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000771069138 875020081 /nfs/dbraw/zinc/02/00/81/875020081.db2.gz XAKCWNRJLOYVHE-PBHICJAKSA-N 0 1 376.884 3.831 20 10 GHCDMN CN1CCN(c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)CC1 ZINC000771521746 875311546 /nfs/dbraw/zinc/31/15/46/875311546.db2.gz VRTOTGKRCOAQFV-CYVLTUHYSA-N 0 1 395.553 3.844 20 10 GHCDMN CN(C)c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000161407855 875341679 /nfs/dbraw/zinc/34/16/79/875341679.db2.gz FUKAUYWRRGANNI-UHFFFAOYSA-N 0 1 389.702 3.969 20 10 GHCDMN C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)cc(F)c3[O-])nc2)CC1 ZINC000776251043 876049880 /nfs/dbraw/zinc/04/98/80/876049880.db2.gz OUVLVRDNQHHVPB-UHFFFAOYSA-N 0 1 378.879 3.722 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3sccc3SC)cc2F)CC1 ZINC000107149303 876314928 /nfs/dbraw/zinc/31/49/28/876314928.db2.gz MNHZSQRWGFEHDP-UHFFFAOYSA-N 0 1 393.553 3.681 20 10 GHCDMN COc1ccc(O)c(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000180268674 883071129 /nfs/dbraw/zinc/07/11/29/883071129.db2.gz IHZOPNVDDBXXEW-UHFFFAOYSA-N 0 1 379.378 3.913 20 10 GHCDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850428371 876911512 /nfs/dbraw/zinc/91/15/12/876911512.db2.gz OAAPNIGPOFMPIJ-CVEARBPZSA-N 0 1 385.464 3.852 20 10 GHCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(Br)ccc1[O-] ZINC000850532525 877003580 /nfs/dbraw/zinc/00/35/80/877003580.db2.gz VBKUAOGGXKKYHU-LBPRGKRZSA-N 0 1 390.343 3.553 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000850540532 877009137 /nfs/dbraw/zinc/00/91/37/877009137.db2.gz MCGGJZYJXDXAPL-JDFRZJQESA-N 0 1 378.314 3.950 20 10 GHCDMN CCN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1CCN(C)C1 ZINC000850582001 877055608 /nfs/dbraw/zinc/05/56/08/877055608.db2.gz AWAPBMCVLNCEKH-IBGZPJMESA-N 0 1 379.464 3.593 20 10 GHCDMN Cc1sccc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787131334 877180123 /nfs/dbraw/zinc/18/01/23/877180123.db2.gz MZYVLNABYXDPMV-KRWDZBQOSA-N 0 1 378.925 3.739 20 10 GHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1[O-] ZINC000787287887 877295862 /nfs/dbraw/zinc/29/58/62/877295862.db2.gz BKMWZVZERXLWBM-ZDUSSCGKSA-N 0 1 381.791 3.531 20 10 GHCDMN COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000093387537 912233201 /nfs/dbraw/zinc/23/32/01/912233201.db2.gz SPBNFJJJYICUGP-KRWDZBQOSA-N 0 1 392.293 3.645 20 10 GHCDMN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cc(Br)ccc1[O-] ZINC000926927568 877495603 /nfs/dbraw/zinc/49/56/03/877495603.db2.gz IAAISIIOXCIHFL-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@@]2(C)CC2(F)F)C1 ZINC000851258776 877548166 /nfs/dbraw/zinc/54/81/66/877548166.db2.gz RRLWWSIXFRIRJI-HXUWFJFHSA-N 0 1 376.447 3.996 20 10 GHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179779504 878007066 /nfs/dbraw/zinc/00/70/66/878007066.db2.gz PQPQIKVQMRRFMC-AWEZNQCLSA-N 0 1 387.281 3.577 20 10 GHCDMN COCCN(Cc1ccc(C)o1)Cc1cc(Br)cc(OC)c1O ZINC000093707151 912391304 /nfs/dbraw/zinc/39/13/04/912391304.db2.gz WXOGGHCJMLARBC-UHFFFAOYSA-N 0 1 384.270 3.713 20 10 GHCDMN CCN(C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)CC(F)(F)F ZINC000093771072 912431792 /nfs/dbraw/zinc/43/17/92/912431792.db2.gz OYIRFWZHOQIQTA-GFCCVEGCSA-N 0 1 395.263 3.861 20 10 GHCDMN C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000790070461 879413015 /nfs/dbraw/zinc/41/30/15/879413015.db2.gz TUUPTPSGWKPUDU-UHFFFAOYSA-N 0 1 394.446 3.896 20 10 GHCDMN COc1ccc(-c2csc(NC(=O)c3c(F)ccc(O)c3O)n2)cc1F ZINC000790070223 879413715 /nfs/dbraw/zinc/41/37/15/879413715.db2.gz MDFYLEYYCRFCEA-UHFFFAOYSA-N 0 1 378.356 3.760 20 10 GHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000093841942 912468420 /nfs/dbraw/zinc/46/84/20/912468420.db2.gz NSQPUVCVMWKBJC-QGZVFWFLSA-N 0 1 384.314 3.705 20 10 GHCDMN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152861663 879828286 /nfs/dbraw/zinc/82/82/86/879828286.db2.gz QLTWREKQNCZFLX-NRFANRHFSA-N 0 1 394.519 3.682 20 10 GHCDMN C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000181172279 880026102 /nfs/dbraw/zinc/02/61/02/880026102.db2.gz ZBNFDWBSFXYBNN-WWMYMODYSA-N 0 1 397.494 3.507 20 10 GHCDMN CCO[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C[C@H]1C ZINC000452867463 880133544 /nfs/dbraw/zinc/13/35/44/880133544.db2.gz ONOJSCKCFCTLDI-JPYJTQIMSA-N 0 1 397.563 3.681 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000746990472 880280095 /nfs/dbraw/zinc/28/00/95/880280095.db2.gz VNTACKGCZJPWON-UHFFFAOYSA-N 0 1 394.441 3.733 20 10 GHCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3OC)cs2)cc1C ZINC000127405243 880927452 /nfs/dbraw/zinc/92/74/52/880927452.db2.gz DMWZYXAJHMCGGQ-UHFFFAOYSA-N 0 1 390.486 3.937 20 10 GHCDMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000792162167 880934258 /nfs/dbraw/zinc/93/42/58/880934258.db2.gz GTSVXQBRCIRBOJ-ZDUSSCGKSA-N 0 1 377.847 3.739 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000792173401 880963570 /nfs/dbraw/zinc/96/35/70/880963570.db2.gz GRYXJGMWXDHJSX-HNNXBMFYSA-N 0 1 389.814 3.808 20 10 GHCDMN O=S(=O)(NC1CC1)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000792174028 880965327 /nfs/dbraw/zinc/96/53/27/880965327.db2.gz CZHHVQCADHIELX-UHFFFAOYSA-N 0 1 387.288 3.752 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000858526603 883174107 /nfs/dbraw/zinc/17/41/07/883174107.db2.gz GFWRPSXQMFXQOT-NVXWUHKLSA-N 0 1 386.492 3.832 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)nc1)NCc1cc(Cl)cc(Cl)c1O ZINC000804905475 883439136 /nfs/dbraw/zinc/43/91/36/883439136.db2.gz VBRIEFQBYHYZSJ-UHFFFAOYSA-N 0 1 395.290 3.694 20 10 GHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1nc(C(C)(C)C)no1 ZINC000805379969 883804601 /nfs/dbraw/zinc/80/46/01/883804601.db2.gz XPFJFMGIASTBMJ-MRVPVSSYSA-N 0 1 387.267 3.940 20 10 GHCDMN CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(Br)ccc1O ZINC001275241789 912795167 /nfs/dbraw/zinc/79/51/67/912795167.db2.gz JFFZSTJUEJZXCH-LIRRHRJNSA-N 0 1 395.341 3.910 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000859945829 884195269 /nfs/dbraw/zinc/19/52/69/884195269.db2.gz TVPJLHCUVZCWSW-UHFFFAOYSA-N 0 1 376.460 3.650 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nnc(C(F)(F)F)s1 ZINC000806160935 884415781 /nfs/dbraw/zinc/41/57/81/884415781.db2.gz LZWLAXTVCXWKKZ-UHFFFAOYSA-N 0 1 387.170 3.891 20 10 GHCDMN CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000806183803 884425641 /nfs/dbraw/zinc/42/56/41/884425641.db2.gz XMAGRKOKQIAYIF-OAHLLOKOSA-N 0 1 399.491 3.632 20 10 GHCDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)n[nH]1 ZINC000860223784 884447316 /nfs/dbraw/zinc/44/73/16/884447316.db2.gz SWHGZVBYJZMIDX-CQSZACIVSA-N 0 1 378.476 3.608 20 10 GHCDMN Oc1c(Br)cc(Cl)cc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898088148 884591647 /nfs/dbraw/zinc/59/16/47/884591647.db2.gz BLCSQMJWYFKAFT-LBPRGKRZSA-N 0 1 386.677 3.968 20 10 GHCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1Cl ZINC000761996419 885131225 /nfs/dbraw/zinc/13/12/25/885131225.db2.gz TYTYONYPNMTQLC-UHFFFAOYSA-N 0 1 398.868 3.592 20 10 GHCDMN CSc1cccc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511539 885495842 /nfs/dbraw/zinc/49/58/42/885495842.db2.gz OLSCCOYZHMASBF-UHFFFAOYSA-N 0 1 399.299 3.984 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Cl)cc1F ZINC000807511132 885496293 /nfs/dbraw/zinc/49/62/93/885496293.db2.gz FWWZPPWOHFELLJ-UHFFFAOYSA-N 0 1 391.613 3.746 20 10 GHCDMN COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000807839835 885770769 /nfs/dbraw/zinc/77/07/69/885770769.db2.gz RQGKLFMYIQLRQA-LBPRGKRZSA-N 0 1 382.243 3.575 20 10 GHCDMN O=C(CSCC(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807841303 885773017 /nfs/dbraw/zinc/77/30/17/885773017.db2.gz XKSMULJGDJNNHG-UHFFFAOYSA-N 0 1 384.284 3.931 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(Cn2ccnc2)c1 ZINC000807837634 885802293 /nfs/dbraw/zinc/80/22/93/885802293.db2.gz YTHADLUTDQACKT-UHFFFAOYSA-N 0 1 376.243 3.874 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(Br)n1 ZINC000807838258 885803893 /nfs/dbraw/zinc/80/38/93/885803893.db2.gz NXVMGJIEQOXLBS-UHFFFAOYSA-N 0 1 376.037 3.787 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000807839514 885806292 /nfs/dbraw/zinc/80/62/92/885806292.db2.gz GPKZRYYJGZGLAA-MRXNPFEDSA-N 0 1 393.270 3.620 20 10 GHCDMN O=C(NC1CC[NH+](Cc2c([O-])cccc2Br)CC1)C1CCCCC1 ZINC000862236333 886234745 /nfs/dbraw/zinc/23/47/45/886234745.db2.gz SGUMDYANTPLKOX-UHFFFAOYSA-N 0 1 395.341 3.816 20 10 GHCDMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1c(O)cccc1Br ZINC000862238644 886239565 /nfs/dbraw/zinc/23/95/65/886239565.db2.gz DENJNANBODWVMR-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN O=C1C[C@@]2(CCCN(Cc3ccc(N4CCOCC4)cc3)C2)Oc2ccccc21 ZINC000862481435 886400179 /nfs/dbraw/zinc/40/01/79/886400179.db2.gz GMBJEGULWUSUHF-XMMPIXPASA-N 0 1 392.499 3.523 20 10 GHCDMN CN1CC[C@@H](CNC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762659096 886631697 /nfs/dbraw/zinc/63/16/97/886631697.db2.gz VGBVWNXOLUMQSF-HNAYVOBHSA-N 0 1 391.874 3.677 20 10 GHCDMN C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000863742432 887354530 /nfs/dbraw/zinc/35/45/30/887354530.db2.gz VYPANCPONHLLCP-HOCLYGCPSA-N 0 1 395.341 3.982 20 10 GHCDMN c1ccc(CN2CCc3cc(CN4CCOC5(CCOCC5)C4)ccc32)cc1 ZINC000809593217 887599490 /nfs/dbraw/zinc/59/94/90/887599490.db2.gz LZJBWOVBCLVVOM-UHFFFAOYSA-N 0 1 378.516 3.631 20 10 GHCDMN CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(Br)c1[O-] ZINC000809714713 887736904 /nfs/dbraw/zinc/73/69/04/887736904.db2.gz PDDCKSRQCWUOQN-UHFFFAOYSA-N 0 1 383.330 3.768 20 10 GHCDMN COC(=O)c1ccc(CNCc2cc(C)c(C)cc2O)c(Br)c1 ZINC000809753391 887792380 /nfs/dbraw/zinc/79/23/80/887792380.db2.gz HMNXNHWLBJJEFC-UHFFFAOYSA-N 0 1 378.266 3.848 20 10 GHCDMN CN1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])C3CCCCCC3)cc2)CC1 ZINC000864521019 887823929 /nfs/dbraw/zinc/82/39/29/887823929.db2.gz CFTVLAJJZHKHIC-OAQYLSRUSA-N 0 1 387.568 3.589 20 10 GHCDMN Cc1cc(CNC(=O)c2ccn(-c3ccncc3)n2)c(C)n1-c1cccc(C)c1 ZINC001132264621 888487344 /nfs/dbraw/zinc/48/73/44/888487344.db2.gz YGBOAOHBMZODFK-UHFFFAOYSA-N 0 1 385.471 3.913 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Cc3cc(Cl)ccc3Cl)cc2)CC1 ZINC001132898895 889781109 /nfs/dbraw/zinc/78/11/09/889781109.db2.gz IOOLXMCBWWCJSY-UHFFFAOYSA-N 0 1 392.330 3.604 20 10 GHCDMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811704186 889877992 /nfs/dbraw/zinc/87/79/92/889877992.db2.gz XGPVTUACLNMVOF-UHFFFAOYSA-N 0 1 386.473 3.975 20 10 GHCDMN CC1(C)C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811777230 889949673 /nfs/dbraw/zinc/94/96/73/889949673.db2.gz AZFVAIUZFBGUJC-SIKLNZKXSA-N 0 1 381.472 3.718 20 10 GHCDMN Cc1cc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000811788082 890000525 /nfs/dbraw/zinc/00/05/25/890000525.db2.gz YQGBPOIMTAOGBV-CQSZACIVSA-N 0 1 386.458 3.889 20 10 GHCDMN Cc1cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000811788082 890000544 /nfs/dbraw/zinc/00/05/44/890000544.db2.gz YQGBPOIMTAOGBV-CQSZACIVSA-N 0 1 386.458 3.889 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1COc2ccc(F)cc2C1 ZINC000812449572 890643609 /nfs/dbraw/zinc/64/36/09/890643609.db2.gz QFIGKKPOBBKDQJ-CYBMUJFWSA-N 0 1 385.222 3.641 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC001133356728 890753361 /nfs/dbraw/zinc/75/33/61/890753361.db2.gz OMMVREIBJBKQIA-WMLDXEAASA-N 0 1 393.453 3.722 20 10 GHCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000917064126 890913441 /nfs/dbraw/zinc/91/34/41/890913441.db2.gz UWUYVZWRDVQKTO-QFIPXVFZSA-N 0 1 383.511 3.557 20 10 GHCDMN COc1ccc(N2CCC(NCc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000812838013 891025759 /nfs/dbraw/zinc/02/57/59/891025759.db2.gz KEUNIWFMOZIUFC-UHFFFAOYSA-N 0 1 380.517 3.972 20 10 GHCDMN COC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccc(F)c(F)c1 ZINC000873100546 891470512 /nfs/dbraw/zinc/47/05/12/891470512.db2.gz VTCADGUXJDUGBA-FQEVSTJZSA-N 0 1 387.430 3.696 20 10 GHCDMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000814178939 892343658 /nfs/dbraw/zinc/34/36/58/892343658.db2.gz JSYSXPJNQSNOBE-UHFFFAOYSA-N 0 1 397.903 3.654 20 10 GHCDMN Cc1cc(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000125219301 892381789 /nfs/dbraw/zinc/38/17/89/892381789.db2.gz BSNPXIXGTWHFCO-DENIHFKCSA-N 0 1 393.531 3.576 20 10 GHCDMN COc1ccncc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000805540828 892618076 /nfs/dbraw/zinc/61/80/76/892618076.db2.gz KFRURHUJRHHAMD-UHFFFAOYSA-N 0 1 393.487 3.555 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000125806839 893019061 /nfs/dbraw/zinc/01/90/61/893019061.db2.gz SFSSGIKTEVWGKM-UHFFFAOYSA-N 0 1 382.508 3.566 20 10 GHCDMN Nc1c(Cl)cc(Cl)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876966245 893411955 /nfs/dbraw/zinc/41/19/55/893411955.db2.gz SAWYLKXDRUOPAY-UHFFFAOYSA-N 0 1 398.309 3.966 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N2CCCC2)o1 ZINC000126436568 893541756 /nfs/dbraw/zinc/54/17/56/893541756.db2.gz JTUANJMTYLAEAB-NRFANRHFSA-N 0 1 394.519 3.601 20 10 GHCDMN COC(=O)c1cnc2[nH]cc(NCc3cc(Cl)c4cccnc4c3O)cc1-2 ZINC001168523809 893756753 /nfs/dbraw/zinc/75/67/53/893756753.db2.gz SOVDGXYIFGNDAU-UHFFFAOYSA-N 0 1 382.807 3.869 20 10 GHCDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000877836425 893839631 /nfs/dbraw/zinc/83/96/31/893839631.db2.gz WZTGVPXYBPCSNO-JTQLQIEISA-N 0 1 393.119 3.510 20 10 GHCDMN C[C@@H](NCc1ncn(-c2ccccc2)n1)c1cc(Br)c(F)cc1O ZINC000815657582 894071513 /nfs/dbraw/zinc/07/15/13/894071513.db2.gz CHAHTAGIUPYOBV-LLVKDONJSA-N 0 1 391.244 3.725 20 10 GHCDMN COc1ccc([C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])N2CCOCC2)cc1 ZINC000816529041 894928225 /nfs/dbraw/zinc/92/82/25/894928225.db2.gz DQDCPTWYDNRQCS-HSZRJFAPSA-N 0 1 392.499 3.717 20 10 GHCDMN COc1cc(CN2CC[C@H]([NH2+]Cc3ccc4ccccc4c3[O-])C2)cc(OC)c1 ZINC000816557391 894941207 /nfs/dbraw/zinc/94/12/07/894941207.db2.gz OMGFJARFYITFJE-FQEVSTJZSA-N 0 1 392.499 3.927 20 10 GHCDMN CCOC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(OC)c(F)c1 ZINC000816574850 894952719 /nfs/dbraw/zinc/95/27/19/894952719.db2.gz UNBIRIFLFFHKHN-KRWDZBQOSA-N 0 1 385.794 3.726 20 10 GHCDMN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCC2 ZINC000774907112 914003457 /nfs/dbraw/zinc/00/34/57/914003457.db2.gz BKEUABOZQICQFR-CQSZACIVSA-N 0 1 377.466 3.837 20 10 GHCDMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCC2 ZINC000774907112 914003471 /nfs/dbraw/zinc/00/34/71/914003471.db2.gz BKEUABOZQICQFR-CQSZACIVSA-N 0 1 377.466 3.837 20 10 GHCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3[nH]cnc3cc2F)cc1 ZINC000819840800 897015089 /nfs/dbraw/zinc/01/50/89/897015089.db2.gz YVNMJLUNJKMFHB-QGZVFWFLSA-N 0 1 396.466 3.589 20 10 GHCDMN CN(C(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000822821286 898654209 /nfs/dbraw/zinc/65/42/09/898654209.db2.gz SSULWCGVTZTKMP-CYBMUJFWSA-N 0 1 388.443 3.550 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)cccc3Cl)cc2F)CC1 ZINC000823162036 898883188 /nfs/dbraw/zinc/88/31/88/898883188.db2.gz NGUTZOWNEFFTOP-UHFFFAOYSA-N 0 1 389.902 3.859 20 10 GHCDMN C[C@@](CO)(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000825129791 899997031 /nfs/dbraw/zinc/99/70/31/899997031.db2.gz FGCGQJPSCMKNFZ-FQEVSTJZSA-N 0 1 395.330 3.827 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCSCC3)cc2)c(F)c1OC ZINC000885924435 900641211 /nfs/dbraw/zinc/64/12/11/900641211.db2.gz QMNHENLIRHYRSQ-UHFFFAOYSA-N 0 1 376.497 3.686 20 10 GHCDMN C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000844733112 901250104 /nfs/dbraw/zinc/25/01/04/901250104.db2.gz NOBXWSKRWIWYKP-RHSMWYFYSA-N 0 1 378.476 3.902 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2F)CC1 ZINC000303256143 914526731 /nfs/dbraw/zinc/52/67/31/914526731.db2.gz BYOKIILKVMNPIB-UHFFFAOYSA-N 0 1 399.554 3.800 20 10 GHCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000844934695 901554966 /nfs/dbraw/zinc/55/49/66/901554966.db2.gz DLOKMJAYOHUQRG-CXAGYDPISA-N 0 1 381.314 3.877 20 10 GHCDMN CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144298975 901646622 /nfs/dbraw/zinc/64/66/22/901646622.db2.gz NONHJGKJJWDORQ-LLVKDONJSA-N 0 1 390.249 3.820 20 10 GHCDMN COc1cccc(N2CCN(Cc3cc(Br)c(F)cc3O)CC2)c1 ZINC001144299198 901649385 /nfs/dbraw/zinc/64/93/85/901649385.db2.gz RFVZRMRCSLWPHU-UHFFFAOYSA-N 0 1 395.272 3.625 20 10 GHCDMN Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)nc1 ZINC001144307949 901700703 /nfs/dbraw/zinc/70/07/03/901700703.db2.gz MPPASYKAKTXBFI-ZDUSSCGKSA-N 0 1 381.245 3.651 20 10 GHCDMN COc1cc(Br)cc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846017314 902598033 /nfs/dbraw/zinc/59/80/33/902598033.db2.gz MHXKTGQDVSNNPT-HWPZZCPQSA-N 0 1 384.245 3.514 20 10 GHCDMN Oc1cc2c(cc1O)CN(Cc1c[nH]c3cc(Br)cnc13)CCC2 ZINC001144707067 902709215 /nfs/dbraw/zinc/70/92/15/902709215.db2.gz ZSCQCRKMBDDOLO-UHFFFAOYSA-N 0 1 388.265 3.685 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1CCCc1ccccc1)cc2=O ZINC000846255143 902828240 /nfs/dbraw/zinc/82/82/40/902828240.db2.gz HSFIUTGYLVSAGW-SFHVURJKSA-N 0 1 394.475 3.511 20 10 GHCDMN CC1CCN(c2ccc(CNC(=O)c3ccc(Cc4nc[nH]n4)cc3)cc2)CC1 ZINC001144772020 902867020 /nfs/dbraw/zinc/86/70/20/902867020.db2.gz GWEFSKQOBHVFOP-UHFFFAOYSA-N 0 1 389.503 3.562 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000578208674 903612640 /nfs/dbraw/zinc/61/26/40/903612640.db2.gz CXMYSUNHAKBWBG-UHFFFAOYSA-N 0 1 394.544 3.992 20 10 GHCDMN O=C(NC1CCN(Cc2ccccc2C(F)(F)F)CC1)c1cccc(O)c1O ZINC001148224277 904011125 /nfs/dbraw/zinc/01/11/25/904011125.db2.gz GLZIGNXACLBXLF-UHFFFAOYSA-N 0 1 394.393 3.511 20 10 GHCDMN OC1CCN(c2ccc(CN[C@@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC000151521474 904148805 /nfs/dbraw/zinc/14/88/05/904148805.db2.gz XOLWAFHPAGVRKU-HXUWFJFHSA-N 0 1 388.458 3.929 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773256365 904619628 /nfs/dbraw/zinc/61/96/28/904619628.db2.gz BWWKFVHFOAABRW-ROUUACIJSA-N 0 1 395.499 3.967 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000773316115 904703806 /nfs/dbraw/zinc/70/38/06/904703806.db2.gz SOJUTNTVSSPQNK-KRWDZBQOSA-N 0 1 394.475 3.819 20 10 GHCDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779160563 904908333 /nfs/dbraw/zinc/90/83/33/904908333.db2.gz FOLWTXYYDRRRCE-NWDGAFQWSA-N 0 1 399.875 3.689 20 10 GHCDMN CCCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000801596455 921173314 /nfs/dbraw/zinc/17/33/14/921173314.db2.gz ADMDFERXYZICFQ-GOSISDBHSA-N 0 1 391.309 3.983 20 10 GHCDMN COc1ccc(N2CCN([C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001173056931 906131761 /nfs/dbraw/zinc/13/17/61/906131761.db2.gz OHFODCAFRCKLKV-IEBWSBKVSA-N 0 1 389.540 3.605 20 10 GHCDMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])ccc2NC1=O ZINC000180033321 906670277 /nfs/dbraw/zinc/67/02/77/906670277.db2.gz LQFUDTGXRUJXHC-ZMZPIMSZSA-N 0 1 386.423 3.694 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](c3cccc(F)c3)C2(C)C)cc1 ZINC001175220102 907439973 /nfs/dbraw/zinc/43/99/73/907439973.db2.gz QFRULRJCFNAKRB-NRFANRHFSA-N 0 1 383.511 3.776 20 10 GHCDMN C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1[O-] ZINC000185291629 907748233 /nfs/dbraw/zinc/74/82/33/907748233.db2.gz DXNLVIPBFOLIAS-SNVBAGLBSA-N 0 1 381.236 3.832 20 10 GHCDMN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000186068000 907873763 /nfs/dbraw/zinc/87/37/63/907873763.db2.gz ZLTLXTSQZDENQM-LBPRGKRZSA-N 0 1 381.270 3.527 20 10 GHCDMN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000186151498 907884953 /nfs/dbraw/zinc/88/49/53/907884953.db2.gz FLTTXGNWEPUWLU-MRVPVSSYSA-N 0 1 378.192 3.758 20 10 GHCDMN O=C1NCCc2ccc(NCc3cc(Cl)cc(Br)c3O)cc21 ZINC001178192180 908932518 /nfs/dbraw/zinc/93/25/18/908932518.db2.gz XFCNOCFXMBZFOR-UHFFFAOYSA-N 0 1 381.657 3.706 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154274 909993179 /nfs/dbraw/zinc/99/31/79/909993179.db2.gz PVWFHKCZDZOIHT-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001180154274 909993189 /nfs/dbraw/zinc/99/31/89/909993189.db2.gz PVWFHKCZDZOIHT-UONOGXRCSA-N 0 1 383.330 3.672 20 10 GHCDMN Cc1cc(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)c(C)n1-c1cccc(Cl)c1 ZINC001180772579 910355580 /nfs/dbraw/zinc/35/55/80/910355580.db2.gz AGJRGJUNAIYJNL-AWEZNQCLSA-N 0 1 383.883 3.683 20 10 GHCDMN COc1ccc2c(c1)CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC001181842991 911037634 /nfs/dbraw/zinc/03/76/34/911037634.db2.gz KWJXOFNDRNNFHN-UHFFFAOYSA-N 0 1 382.229 3.697 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCC[C@H](O)C2)C1 ZINC000795547932 911058265 /nfs/dbraw/zinc/05/82/65/911058265.db2.gz WSTCOKGXTWEYIC-ROUUACIJSA-N 0 1 384.520 3.502 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCc2cccnc2)C1 ZINC000774078637 911354278 /nfs/dbraw/zinc/35/42/78/911354278.db2.gz CFFXQEZIFRLGFT-UHFFFAOYSA-N 0 1 377.488 3.589 20 10 GHCDMN CC[C@@H]1C[C@@H](OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCO1 ZINC000774183584 911502100 /nfs/dbraw/zinc/50/21/00/911502100.db2.gz NFAOFQWVGZIMBU-MSOLQXFVSA-N 0 1 384.520 3.909 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c(C)n1-c1ccccc1C ZINC000774272386 911607535 /nfs/dbraw/zinc/60/75/35/911607535.db2.gz KHCWAHFNPRQVOL-UHFFFAOYSA-N 0 1 380.448 3.511 20 10 GHCDMN CCn1c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)nc2c1cccc2F ZINC000775262189 916728477 /nfs/dbraw/zinc/72/84/77/916728477.db2.gz ZIKDUHKFTDPSGV-MRXNPFEDSA-N 0 1 382.483 3.883 20 10 GHCDMN CC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cc(Br)ccc1[O-] ZINC000775484393 918235090 /nfs/dbraw/zinc/23/50/90/918235090.db2.gz CINAYPXEYBJIEN-RDJZCZTQSA-N 0 1 385.346 3.552 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000775487378 918257243 /nfs/dbraw/zinc/25/72/43/918257243.db2.gz AXHCITGGWQSDMS-CRAIPNDOSA-N 0 1 394.309 3.944 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000775487390 918257745 /nfs/dbraw/zinc/25/77/45/918257745.db2.gz AXHCITGGWQSDMS-YJBOKZPZSA-N 0 1 394.309 3.944 20 10 GHCDMN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775490209 918296557 /nfs/dbraw/zinc/29/65/57/918296557.db2.gz AENPSFDOBDDEGQ-SFHVURJKSA-N 0 1 396.940 3.973 20 10 GHCDMN CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775492183 918301509 /nfs/dbraw/zinc/30/15/09/918301509.db2.gz NFDRCDGIRYWBGK-KRWDZBQOSA-N 0 1 391.309 3.854 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000775495932 918370565 /nfs/dbraw/zinc/37/05/65/918370565.db2.gz BVOVNWHDRDSVTG-LJQANCHMSA-N 0 1 388.895 3.759 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275892299 919323708 /nfs/dbraw/zinc/32/37/08/919323708.db2.gz ACAIRCWLUZCBEU-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001275892299 919323718 /nfs/dbraw/zinc/32/37/18/919323718.db2.gz ACAIRCWLUZCBEU-KRWDZBQOSA-N 0 1 390.833 3.813 20 10 GHCDMN C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000800539591 920257496 /nfs/dbraw/zinc/25/74/96/920257496.db2.gz GYHKDNPTWVDOPG-LLVKDONJSA-N 0 1 387.281 3.882 20 10 GHCDMN COc1cc(CN(CCNC(C)=O)Cc2ccsc2)c(O)c(C(C)(C)C)c1 ZINC000800850623 920525716 /nfs/dbraw/zinc/52/57/16/920525716.db2.gz XJAZUGMIFPFOKY-UHFFFAOYSA-N 0 1 390.549 3.898 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc2ccccc2c1[O-] ZINC000903434916 923027069 /nfs/dbraw/zinc/02/70/69/923027069.db2.gz ONAHOSHCEGHOAQ-TZMCWYRMSA-N 0 1 384.867 3.624 20 10 GHCDMN C[C@]12CCN(Cc3cc(F)ccc3O)C[C@H]1C2(Br)Br ZINC000826887937 924338068 /nfs/dbraw/zinc/33/80/68/924338068.db2.gz CSUSVYDGOYTEQO-OLZOCXBDSA-N 0 1 393.094 3.859 20 10 GHCDMN COC(=O)c1nc(CNCc2cc(Br)cc(C)c2O)ccc1Cl ZINC000826981259 924472388 /nfs/dbraw/zinc/47/23/88/924472388.db2.gz OOPLYOUVTFMICW-UHFFFAOYSA-N 0 1 399.672 3.588 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(C(F)(F)F)CCC1 ZINC000827096125 924738830 /nfs/dbraw/zinc/73/88/30/924738830.db2.gz QXOKXGOQYXMVQT-AWEZNQCLSA-N 0 1 390.833 3.859 20 10 GHCDMN Cc1cc(C(=O)CSc2nc(C3CC3)n[nH]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000011275468 924784579 /nfs/dbraw/zinc/78/45/79/924784579.db2.gz RECRGWMRUAQMAW-UHFFFAOYSA-N 0 1 396.472 3.793 20 10 GHCDMN Cc1cc(C(=O)CSc2n[nH]c(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000011275468 924784591 /nfs/dbraw/zinc/78/45/91/924784591.db2.gz RECRGWMRUAQMAW-UHFFFAOYSA-N 0 1 396.472 3.793 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827311243 925240580 /nfs/dbraw/zinc/24/05/80/925240580.db2.gz XJNKCUHOVLQUQD-MBNRZODZSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311243 925240587 /nfs/dbraw/zinc/24/05/87/925240587.db2.gz XJNKCUHOVLQUQD-MBNRZODZSA-N 0 1 385.895 3.543 20 10 GHCDMN Cc1ncccc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827311243 925240593 /nfs/dbraw/zinc/24/05/93/925240593.db2.gz XJNKCUHOVLQUQD-MBNRZODZSA-N 0 1 385.895 3.543 20 10 GHCDMN CC(C)=CCN1CC[C@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276078432 925248133 /nfs/dbraw/zinc/24/81/33/925248133.db2.gz MIGTVOYQJAIPNN-LJQANCHMSA-N 0 1 393.325 3.688 20 10 GHCDMN CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001276076410 925258046 /nfs/dbraw/zinc/25/80/46/925258046.db2.gz CBYLTKGZRBKKPC-OAHLLOKOSA-N 0 1 395.341 3.529 20 10 GHCDMN CCN(CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C)C[C@@H]1CCOC1 ZINC000827430378 925482534 /nfs/dbraw/zinc/48/25/34/925482534.db2.gz KBOAWXJRYYVVLX-INIZCTEOSA-N 0 1 375.900 3.684 20 10 GHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000390556781 926395340 /nfs/dbraw/zinc/39/53/40/926395340.db2.gz LOYWBXPVQSVVNY-UHFFFAOYSA-N 0 1 394.346 3.606 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043725 927402197 /nfs/dbraw/zinc/40/21/97/927402197.db2.gz XFRLGVMVEATRFG-CQSZACIVSA-N 0 1 396.915 3.937 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750043725 927402209 /nfs/dbraw/zinc/40/22/09/927402209.db2.gz XFRLGVMVEATRFG-CQSZACIVSA-N 0 1 396.915 3.937 20 10 GHCDMN COCC1CCC(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000412689642 927733736 /nfs/dbraw/zinc/73/37/36/927733736.db2.gz BXGYTSTZKCBGQE-UHFFFAOYSA-N 0 1 397.563 3.729 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1O ZINC000750824953 927877533 /nfs/dbraw/zinc/87/75/33/927877533.db2.gz AFEBKAAHIPZGKY-UHFFFAOYSA-N 0 1 394.487 3.813 20 10 GHCDMN CCOC(=O)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753530403 929391568 /nfs/dbraw/zinc/39/15/68/929391568.db2.gz MIEMHEPCHOAMNX-UHFFFAOYSA-N 0 1 384.476 3.635 20 10 GHCDMN COc1cc(Br)cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000753591558 929435202 /nfs/dbraw/zinc/43/52/02/929435202.db2.gz QRUIVGLIJRQCIS-MRXNPFEDSA-N 0 1 396.256 3.956 20 10 GHCDMN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccc(Cl)cc1 ZINC000759583056 930412608 /nfs/dbraw/zinc/41/26/08/930412608.db2.gz GTNJVCJVSXYKLS-HNNXBMFYSA-N 0 1 398.985 3.881 20 10 GHCDMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](OC)CC3)c2C)cc1 ZINC000783019101 931386817 /nfs/dbraw/zinc/38/68/17/931386817.db2.gz WFVLXIQIAKFQPU-FQEVSTJZSA-N 0 1 398.503 3.564 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(Br)s1)[C@H](O)CO2 ZINC000784029387 931760438 /nfs/dbraw/zinc/76/04/38/931760438.db2.gz HMZQWVMZPKIZJW-GXTWGEPZSA-N 0 1 396.306 3.979 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Br)ccc1[O-] ZINC000927017518 932382521 /nfs/dbraw/zinc/38/25/21/932382521.db2.gz WDILUGHPGJKQDG-HOCLYGCPSA-N 0 1 384.314 3.924 20 10 GHCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001139684740 933211503 /nfs/dbraw/zinc/21/15/03/933211503.db2.gz PIDSBQZMCWVICJ-UHFFFAOYSA-N 0 1 388.458 3.537 20 10 GHCDMN CCC[C@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001124585310 935420167 /nfs/dbraw/zinc/42/01/67/935420167.db2.gz MULUWTSAASJGOH-SIKLNZKXSA-N 0 1 387.568 3.540 20 10 GHCDMN CCOc1ccc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c(O)c1 ZINC000828052234 935570798 /nfs/dbraw/zinc/57/07/98/935570798.db2.gz FYQIAMNTEOPSLO-UHFFFAOYSA-N 0 1 383.423 3.754 20 10 GHCDMN Cc1cc(CN2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccc1 ZINC001137857649 935829035 /nfs/dbraw/zinc/82/90/35/935829035.db2.gz KCGMKMQZGVKDGK-NHCUHLMSSA-N 0 1 399.535 3.554 20 10 GHCDMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001138047731 935952543 /nfs/dbraw/zinc/95/25/43/935952543.db2.gz WYZOBGJVZYCAMH-CZUORRHYSA-N 0 1 382.485 3.563 20 10 GHCDMN Cc1cc(O)c(CN2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)cc1Cl ZINC001277213486 1032436790 /nfs/dbraw/zinc/43/67/90/1032436790.db2.gz NDPHTKQBRYLWIP-KRWDZBQOSA-N 0 1 390.833 3.873 20 10 GHCDMN CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC3=CC(=O)C=CC3=NNc3ccccn3)C[C@H]1N2C ZINC001227491533 1032438539 /nfs/dbraw/zinc/43/85/39/1032438539.db2.gz GEHOVPUSRMXMGS-FIVRTJCZSA-N 0 1 396.447 3.748 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(OC[C@H](OC)c2ccccc2)c1O ZINC001227493783 1032439785 /nfs/dbraw/zinc/43/97/85/1032439785.db2.gz KMFCFXPDEGJRLV-ZDUSSCGKSA-N 0 1 394.445 3.574 20 10 GHCDMN CC(C)(C)[NH+]1CCC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227578925 1032470208 /nfs/dbraw/zinc/47/02/08/1032470208.db2.gz ZXELSVAXKSZQNK-UHFFFAOYSA-N 0 1 379.456 3.809 20 10 GHCDMN CC(C)(C)N1CCC(Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227578925 1032470213 /nfs/dbraw/zinc/47/02/13/1032470213.db2.gz ZXELSVAXKSZQNK-UHFFFAOYSA-N 0 1 379.456 3.809 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H](C)c2csc(Cl)c2)c1O ZINC001227620991 1032488824 /nfs/dbraw/zinc/48/88/24/1032488824.db2.gz ZKFITFUQIYZXDV-LURJTMIESA-N 0 1 376.839 3.882 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H](c2ccccc2)C(F)(F)F)c1O ZINC001227619986 1032488185 /nfs/dbraw/zinc/48/81/85/1032488185.db2.gz AWMZIGRJAJHDSL-CYBMUJFWSA-N 0 1 390.335 3.709 20 10 GHCDMN COc1cccnc1N1CCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240443 1032684641 /nfs/dbraw/zinc/68/46/41/1032684641.db2.gz SYORYUHWFASCNJ-UHFFFAOYSA-N 0 1 376.504 3.632 20 10 GHCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Br)n1 ZINC000926723284 1017302884 /nfs/dbraw/zinc/30/28/84/1017302884.db2.gz CRTUARFLWRVKQH-AWEZNQCLSA-N 0 1 390.325 3.656 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3CN(Cc3ccc(O)cc3O)[C@H]2C1 ZINC001204276107 1032717895 /nfs/dbraw/zinc/71/78/95/1032717895.db2.gz GYBUGIVZLMPKTA-PMACEKPBSA-N 0 1 396.487 3.817 20 10 GHCDMN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)c3nccs3)c1C2=O ZINC001227994051 1032730368 /nfs/dbraw/zinc/73/03/68/1032730368.db2.gz JLMWXYMMGNOUDJ-SNVBAGLBSA-N 0 1 381.409 3.778 20 10 GHCDMN COc1cccc([C@H](C)Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)c1 ZINC001228519820 1032968678 /nfs/dbraw/zinc/96/86/78/1032968678.db2.gz SNMLXCLZONWFDF-LBPRGKRZSA-N 0 1 396.395 3.889 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001140340055 1021449266 /nfs/dbraw/zinc/44/92/66/1021449266.db2.gz QKSOBMHXVKXZIH-LAUBAEHRSA-N 0 1 395.927 3.612 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001140340055 1021449278 /nfs/dbraw/zinc/44/92/78/1021449278.db2.gz QKSOBMHXVKXZIH-LAUBAEHRSA-N 0 1 395.927 3.612 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140343974 1021458581 /nfs/dbraw/zinc/45/85/81/1021458581.db2.gz BIKCSLOZLCSDMA-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140343974 1021458586 /nfs/dbraw/zinc/45/85/86/1021458586.db2.gz BIKCSLOZLCSDMA-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(-c2ccccc2F)nc1 ZINC001140400336 1021568398 /nfs/dbraw/zinc/56/83/98/1021568398.db2.gz VZRTZUVNGYPTMC-UHFFFAOYSA-N 0 1 392.478 3.751 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(Cl)cc4[O-])C3)C2)n1 ZINC001140464787 1021758885 /nfs/dbraw/zinc/75/88/85/1021758885.db2.gz BLHXGTQGKRICDI-CTNGQTDRSA-N 0 1 388.895 3.699 20 10 GHCDMN Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4[O-])C3)C2)n1 ZINC001140464787 1021758890 /nfs/dbraw/zinc/75/88/90/1021758890.db2.gz BLHXGTQGKRICDI-CTNGQTDRSA-N 0 1 388.895 3.699 20 10 GHCDMN O=C1COC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)CN1c1ccsc1 ZINC001140466532 1021759556 /nfs/dbraw/zinc/75/95/56/1021759556.db2.gz FPRIWRPIZRRPCA-UHFFFAOYSA-N 0 1 392.908 3.505 20 10 GHCDMN CC(C)(C)OC(=O)N1CCN(Cc2c(O)cc(F)cc2F)[C@@H](C(F)(F)F)C1 ZINC001140585267 1022008904 /nfs/dbraw/zinc/00/89/04/1022008904.db2.gz CAVCIXDGQQZFJC-CQSZACIVSA-N 0 1 396.356 3.654 20 10 GHCDMN COC(=O)c1c(CN(C)CCOc2cccc(C)c2)c2cc(F)ccc2n1C ZINC001204705069 1033035966 /nfs/dbraw/zinc/03/59/66/1033035966.db2.gz IMHAZVDUDKSBCP-UHFFFAOYSA-N 0 1 384.451 3.923 20 10 GHCDMN CCN(CC)c1ccc(CN2CC3(C2)CCCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140850189 1022696368 /nfs/dbraw/zinc/69/63/68/1022696368.db2.gz GCUBHXHETUOYDF-UHFFFAOYSA-N 0 1 389.540 3.824 20 10 GHCDMN Cc1cc(C)c(O)c(CN2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)c1 ZINC000754731979 1022864542 /nfs/dbraw/zinc/86/45/42/1022864542.db2.gz MMJWORJJYYRHHC-INIZCTEOSA-N 0 1 398.532 3.999 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000754783594 1022893413 /nfs/dbraw/zinc/89/34/13/1022893413.db2.gz MSPCPVAXUVQJCG-GOSISDBHSA-N 0 1 381.472 3.577 20 10 GHCDMN COc1cc(F)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1OC ZINC000755984272 1023466699 /nfs/dbraw/zinc/46/66/99/1023466699.db2.gz JAHXFKNEIZIYTE-UHFFFAOYSA-N 0 1 383.441 3.781 20 10 GHCDMN COCC[N@@H+](Cc1cc(Br)cs1)Cc1c(O)cccc1OC ZINC000756135536 1023532275 /nfs/dbraw/zinc/53/22/75/1023532275.db2.gz AZHOGVSCIJFRGP-UHFFFAOYSA-N 0 1 386.311 3.873 20 10 GHCDMN COCCN(Cc1cc(Br)cs1)Cc1c(O)cccc1OC ZINC000756135536 1023532286 /nfs/dbraw/zinc/53/22/86/1023532286.db2.gz AZHOGVSCIJFRGP-UHFFFAOYSA-N 0 1 386.311 3.873 20 10 GHCDMN COc1ccc(C(=O)C2CCN(Cc3ccc4c(c3)OCCN4C)CC2)cc1 ZINC001141143818 1023580197 /nfs/dbraw/zinc/58/01/97/1023580197.db2.gz LKBZMIVAYPHGJX-UHFFFAOYSA-N 0 1 380.488 3.619 20 10 GHCDMN CN1CCOc2cc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)ccc21 ZINC001141144062 1023581243 /nfs/dbraw/zinc/58/12/43/1023581243.db2.gz VEUSIMXJOCERKM-UHFFFAOYSA-N 0 1 378.472 3.515 20 10 GHCDMN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000756557902 1023713055 /nfs/dbraw/zinc/71/30/55/1023713055.db2.gz XUEDPEQKLLTONI-HNNXBMFYSA-N 0 1 385.485 3.679 20 10 GHCDMN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C2 ZINC000756776416 1023810518 /nfs/dbraw/zinc/81/05/18/1023810518.db2.gz ZEXCMEYQWMEJTN-FZMZJTMJSA-N 0 1 378.266 3.818 20 10 GHCDMN C[C@H](Nc1cccc(OCC(N)=O)c1)c1cc(Br)cc(Cl)c1O ZINC000756801296 1023819305 /nfs/dbraw/zinc/81/93/05/1023819305.db2.gz LEJWMQSZTYNALM-VIFPVBQESA-N 0 1 399.672 3.845 20 10 GHCDMN Cc1cc(C(=O)CN2CC3(C[C@@H]2C)CCOCC3)c(C)n1-c1ccc(F)cn1 ZINC000830603671 1024015001 /nfs/dbraw/zinc/01/50/01/1024015001.db2.gz ZUQRAFDDTTZUJB-INIZCTEOSA-N 0 1 385.483 3.702 20 10 GHCDMN Cc1ccc(CN2CCOC3(CC[NH+](Cc4cccc(F)c4[O-])CC3)C2)cc1 ZINC001138127205 1024173945 /nfs/dbraw/zinc/17/39/45/1024173945.db2.gz SIFMIPJIVVNXNA-UHFFFAOYSA-N 0 1 384.495 3.707 20 10 GHCDMN Cc1cc(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000837187023 1024204679 /nfs/dbraw/zinc/20/46/79/1024204679.db2.gz ASEIXUSTNKEQIW-UHFFFAOYSA-N 0 1 399.882 3.945 20 10 GHCDMN O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000831543474 1024630723 /nfs/dbraw/zinc/63/07/23/1024630723.db2.gz HGDZINBCYYUWMK-JTQLQIEISA-N 0 1 388.263 3.944 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(OC)c1 ZINC001138385859 1024756840 /nfs/dbraw/zinc/75/68/40/1024756840.db2.gz BDGORNGGQIUNAH-MSOLQXFVSA-N 0 1 392.437 3.769 20 10 GHCDMN CCN(CC)c1ccc(CN2CCC[C@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001138391498 1024767551 /nfs/dbraw/zinc/76/75/51/1024767551.db2.gz DWQAHJDFGLHNON-FQEVSTJZSA-N 0 1 384.524 3.683 20 10 GHCDMN CCN(CC)c1ccc(CN2CC[C@H](Oc3cccc(OC)n3)C2)c(OC)c1 ZINC001138392529 1024770662 /nfs/dbraw/zinc/77/06/62/1024770662.db2.gz ZDDGTRNFTFCXOA-IBGZPJMESA-N 0 1 385.508 3.598 20 10 GHCDMN Cc1ncccc1CN(C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138678321 1025203262 /nfs/dbraw/zinc/20/32/62/1025203262.db2.gz ZLCAPVFCMBLZGC-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN COc1ccc(CN2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1F ZINC001205161424 1033278521 /nfs/dbraw/zinc/27/85/21/1033278521.db2.gz FLTHADJMAYQJPE-UHFFFAOYSA-N 0 1 382.838 3.650 20 10 GHCDMN Cc1nn(C(C)(C)C)c(C)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146486 1025642096 /nfs/dbraw/zinc/64/20/96/1025642096.db2.gz JRXXHAGNPACHKP-UHFFFAOYSA-N 0 1 392.494 3.660 20 10 GHCDMN COCCOc1ccc(N2CCN(Cc3cccc(OC(C)C)c3)CC2)cc1 ZINC001138985923 1025723170 /nfs/dbraw/zinc/72/31/70/1025723170.db2.gz RAAHQUVWCKODKF-UHFFFAOYSA-N 0 1 384.520 3.821 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001139129304 1025941327 /nfs/dbraw/zinc/94/13/27/1025941327.db2.gz VGGUPJIUNCXWRX-NQIIRXRSSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001139129304 1025941331 /nfs/dbraw/zinc/94/13/31/1025941331.db2.gz VGGUPJIUNCXWRX-NQIIRXRSSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001139129304 1025941337 /nfs/dbraw/zinc/94/13/37/1025941337.db2.gz VGGUPJIUNCXWRX-NQIIRXRSSA-N 0 1 390.483 3.513 20 10 GHCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001139129118 1025941728 /nfs/dbraw/zinc/94/17/28/1025941728.db2.gz NIZRBAVZZQAQBX-MRXNPFEDSA-N 0 1 382.485 3.959 20 10 GHCDMN CC(=O)c1cc(F)cc(CN(C)C[C@H](O)c2cccc(Br)c2)c1O ZINC000839638186 1026145226 /nfs/dbraw/zinc/14/52/26/1026145226.db2.gz CAOYKPONSYNGBV-KRWDZBQOSA-N 0 1 396.256 3.662 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000839638186 1026145228 /nfs/dbraw/zinc/14/52/28/1026145228.db2.gz CAOYKPONSYNGBV-KRWDZBQOSA-N 0 1 396.256 3.662 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000839638186 1026145229 /nfs/dbraw/zinc/14/52/29/1026145229.db2.gz CAOYKPONSYNGBV-KRWDZBQOSA-N 0 1 396.256 3.662 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)CCCC1 ZINC001163928554 1026363489 /nfs/dbraw/zinc/36/34/89/1026363489.db2.gz DCUQMOMDXCPMGG-JOCHJYFZSA-N 0 1 397.563 3.717 20 10 GHCDMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688057 1026538383 /nfs/dbraw/zinc/53/83/83/1026538383.db2.gz XWRYDEYFQHLXSC-MOPGFXCFSA-N 0 1 375.415 3.982 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688060 1026538933 /nfs/dbraw/zinc/53/89/33/1026538933.db2.gz XWRYDEYFQHLXSC-RTBURBONSA-N 0 1 375.415 3.982 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3c([O-])cccc3Br)CC[C@H]21 ZINC001140100332 1026877587 /nfs/dbraw/zinc/87/75/87/1026877587.db2.gz LKYFKWPUSMHJBE-IUODEOHRSA-N 0 1 397.313 3.596 20 10 GHCDMN CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3c([O-])cccc3Br)CC[C@H]21 ZINC001140100332 1026877593 /nfs/dbraw/zinc/87/75/93/1026877593.db2.gz LKYFKWPUSMHJBE-IUODEOHRSA-N 0 1 397.313 3.596 20 10 GHCDMN CC(C)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1Cc1ccccc1 ZINC001166815327 1027091937 /nfs/dbraw/zinc/09/19/37/1027091937.db2.gz KPRZMEGZUDNGFE-FQEVSTJZSA-N 0 1 393.491 3.832 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001203568253 1027438117 /nfs/dbraw/zinc/43/81/17/1027438117.db2.gz HARNGLWJFBTNAM-CQSZACIVSA-N 0 1 391.103 3.672 20 10 GHCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001203568253 1027438121 /nfs/dbraw/zinc/43/81/21/1027438121.db2.gz HARNGLWJFBTNAM-CQSZACIVSA-N 0 1 391.103 3.672 20 10 GHCDMN CC(C)[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203646047 1027503160 /nfs/dbraw/zinc/50/31/60/1027503160.db2.gz ZJEDOKRCDLXBFP-UHFFFAOYSA-N 0 1 387.318 3.890 20 10 GHCDMN CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001203646047 1027503172 /nfs/dbraw/zinc/50/31/72/1027503172.db2.gz ZJEDOKRCDLXBFP-UHFFFAOYSA-N 0 1 387.318 3.890 20 10 GHCDMN COc1cc(OC2CCN(Cc3cc(Br)ccc3O)CC2)ccn1 ZINC001203648853 1027505898 /nfs/dbraw/zinc/50/58/98/1027505898.db2.gz XPPSGGOPIXEEPY-UHFFFAOYSA-N 0 1 393.281 3.602 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203657238 1027511094 /nfs/dbraw/zinc/51/10/94/1027511094.db2.gz AQCRQDGUBNVSFN-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203657238 1027511107 /nfs/dbraw/zinc/51/11/07/1027511107.db2.gz AQCRQDGUBNVSFN-QFIPXVFZSA-N 0 1 382.891 3.946 20 10 GHCDMN Fc1cc2c(c(F)c1)CC[C@@H]2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759802 1027800800 /nfs/dbraw/zinc/80/08/00/1027800800.db2.gz NRJIBJYGYHDSHS-IBGZPJMESA-N 0 1 380.385 3.857 20 10 GHCDMN CC(C)[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000840760532 1027801103 /nfs/dbraw/zinc/80/11/03/1027801103.db2.gz ZNNMDGVORDANKA-IBGZPJMESA-N 0 1 379.426 3.822 20 10 GHCDMN CCc1nc(C)c([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840761527 1027801916 /nfs/dbraw/zinc/80/19/16/1027801916.db2.gz YXXMNFBNTFFSNY-LBPRGKRZSA-N 0 1 381.492 3.980 20 10 GHCDMN C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000840865017 1027903494 /nfs/dbraw/zinc/90/34/94/1027903494.db2.gz SNDPQBCQMLVKAI-SWLSCSKDSA-N 0 1 393.281 3.926 20 10 GHCDMN C[C@H](NCc1cccc2c1OC(F)(F)O2)c1ccc(N2CCOCC2)cc1 ZINC000840886484 1027923317 /nfs/dbraw/zinc/92/33/17/1027923317.db2.gz XUXJFLNWFDMGKU-AWEZNQCLSA-N 0 1 376.403 3.696 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000840937696 1027971928 /nfs/dbraw/zinc/97/19/28/1027971928.db2.gz VFBZUCVRHRSUIH-OAHLLOKOSA-N 0 1 386.858 3.856 20 10 GHCDMN C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000841756193 1028914458 /nfs/dbraw/zinc/91/44/58/1028914458.db2.gz UVFXRZYKLKITRQ-HWPZZCPQSA-N 0 1 384.259 3.854 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1C(=O)N(C)C ZINC000841846014 1028975654 /nfs/dbraw/zinc/97/56/54/1028975654.db2.gz KOHLVZWJTJBRAC-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1ccccc1C(=O)N(C)C ZINC000841846014 1028975658 /nfs/dbraw/zinc/97/56/58/1028975658.db2.gz KOHLVZWJTJBRAC-UHFFFAOYSA-N 0 1 391.309 3.879 20 10 GHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001142524791 1029029473 /nfs/dbraw/zinc/02/94/73/1029029473.db2.gz KZSYGGUFRXSVKF-UHFFFAOYSA-N 0 1 387.352 3.797 20 10 GHCDMN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116639 1029853484 /nfs/dbraw/zinc/85/34/84/1029853484.db2.gz GXQGLUPNBDNKFY-DOTOQJQBSA-N 0 1 385.508 3.642 20 10 GHCDMN O=c1oc2cc(O)c(O)cc2cc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001217554133 1030487348 /nfs/dbraw/zinc/48/73/48/1030487348.db2.gz UUAOYBNWCVEJGH-UHFFFAOYSA-N 0 1 390.273 3.940 20 10 GHCDMN CN(C)c1ccc(/C=C/c2ccc(NC(=O)c3noc4c3CNCC4)cc2)cc1 ZINC001219204350 1031305385 /nfs/dbraw/zinc/30/53/85/1031305385.db2.gz ZMPUKOWMTFWRJO-ONEGZZNKSA-N 0 1 388.471 3.809 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001157436117 1033588474 /nfs/dbraw/zinc/58/84/74/1033588474.db2.gz ZALDDZUWAATTRN-PXNSSMCTSA-N 0 1 388.458 3.597 20 10 GHCDMN CC[C@H](C)C[C@H](CC)Oc1c(O)c(O)cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229774270 1033703424 /nfs/dbraw/zinc/70/34/24/1033703424.db2.gz WGQVLLIGKGLADI-UWVGGRQHSA-N 0 1 390.388 3.610 20 10 GHCDMN O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(OC3CCCCCCC3)c12 ZINC001229777336 1033707197 /nfs/dbraw/zinc/70/71/97/1033707197.db2.gz RHLULIGMTWHYQK-UHFFFAOYSA-N 0 1 388.372 3.508 20 10 GHCDMN CCCCN1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(C)cc3O)C2)C1=O ZINC001277426862 1033764635 /nfs/dbraw/zinc/76/46/35/1033764635.db2.gz KTGZIEIUUKEEOI-IBGZPJMESA-N 0 1 395.341 3.688 20 10 GHCDMN CN(C)c1ccc(-c2nc(C(=O)N3CCNC[C@@H]3c3ccccc3)cs2)cc1 ZINC001157974053 1033847992 /nfs/dbraw/zinc/84/79/92/1033847992.db2.gz YIMPWKDXQVLGAD-HXUWFJFHSA-N 0 1 392.528 3.663 20 10 GHCDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001461875105 1069821820 /nfs/dbraw/zinc/82/18/20/1069821820.db2.gz SZENRPLOEVROSW-IBGZPJMESA-N 0 1 395.341 3.824 20 10 GHCDMN CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(Br)c(F)cc3[O-])C2)C1=O ZINC001276518466 1034222520 /nfs/dbraw/zinc/22/25/20/1034222520.db2.gz QBIUSCWYHVJBQY-SGTLLEGYSA-N 0 1 399.304 3.517 20 10 GHCDMN O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277509938 1034542759 /nfs/dbraw/zinc/54/27/59/1034542759.db2.gz KGNVMMRMPWDERN-HXUWFJFHSA-N 0 1 380.891 3.942 20 10 GHCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](N(Cc3ccccc3)C3CC3)C2)c(O)c1 ZINC001231453868 1034596876 /nfs/dbraw/zinc/59/68/76/1034596876.db2.gz LPQJRTNUUKJGPG-NRFANRHFSA-N 0 1 380.488 3.719 20 10 GHCDMN 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O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731856873 861911728 /nfs/dbraw/zinc/91/17/28/861911728.db2.gz UZSVIADAKJPLSC-GOSISDBHSA-N 0 1 377.444 3.604 20 10 GHCDMN CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccccc1O ZINC000732203450 862144856 /nfs/dbraw/zinc/14/48/56/862144856.db2.gz VJPXVIZSULCOMP-QHCPKHFHSA-N 0 1 386.495 3.998 20 10 GHCDMN CC(=O)CCCCCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000909105578 850589920 /nfs/dbraw/zinc/58/99/20/850589920.db2.gz ZJYLAUXKZQHSTK-UHFFFAOYSA-N 0 1 383.536 3.673 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nc(C)n[nH]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000760965091 856815411 /nfs/dbraw/zinc/81/54/11/856815411.db2.gz LTWYTEYUDVCRBM-KRWDZBQOSA-N 0 1 395.482 3.722 20 10 GHCDMN Cc1cc(C(=O)CN2CCC[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccc(F)cc1 ZINC000760965091 856815421 /nfs/dbraw/zinc/81/54/21/856815421.db2.gz LTWYTEYUDVCRBM-KRWDZBQOSA-N 0 1 395.482 3.722 20 10 GHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000733326091 862865645 /nfs/dbraw/zinc/86/56/45/862865645.db2.gz IPINVALNINRZMN-UHFFFAOYSA-N 0 1 384.657 3.869 20 10 GHCDMN O=S1(=O)CCN(c2ccc(CNCc3cccc(Cl)c3Cl)cc2)CC1 ZINC000733330847 862872427 /nfs/dbraw/zinc/87/24/27/862872427.db2.gz PWPQHDJZTQPVLE-UHFFFAOYSA-N 0 1 399.343 3.518 20 10 GHCDMN Cc1ccc([C@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)c(O)c1C ZINC000281161307 862878902 /nfs/dbraw/zinc/87/89/02/862878902.db2.gz PDMVIURYYSIEBR-LRDDRELGSA-N 0 1 377.282 3.649 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CNC1(c2ncc(Br)cn2)CCC1 ZINC000923001533 858937101 /nfs/dbraw/zinc/93/71/01/858937101.db2.gz CCAWGGRHSBKVBB-UHFFFAOYSA-N 0 1 386.652 3.906 20 10 GHCDMN CCN(CC)[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000765751924 860569794 /nfs/dbraw/zinc/56/97/94/860569794.db2.gz AFYRIXRNNNSGHR-QGZVFWFLSA-N 0 1 391.309 3.854 20 10 GHCDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)ccc2O1 ZINC000730073915 860861251 /nfs/dbraw/zinc/86/12/51/860861251.db2.gz RKGXQIAIRLTGCY-JTQLQIEISA-N 0 1 378.500 3.996 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(Br)c1O ZINC000730105481 860871595 /nfs/dbraw/zinc/87/15/95/860871595.db2.gz JSVWVCQJNWAXPO-UHFFFAOYSA-N 0 1 375.266 3.685 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCc3cccc(C)c3)cc2F)CC1 ZINC000730193831 860935517 /nfs/dbraw/zinc/93/55/17/860935517.db2.gz BTTJNCNAONWBPT-UHFFFAOYSA-N 0 1 383.511 3.525 20 10 GHCDMN CC(C)Cn1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cn1 ZINC000444245078 863741644 /nfs/dbraw/zinc/74/16/44/863741644.db2.gz CGLNTZSLJLDTTP-UHFFFAOYSA-N 0 1 393.535 3.899 20 10 GHCDMN CCN(CC)c1ccc(CNC(=O)NCc2ccc(F)c(CN(C)C)c2)cc1 ZINC000734533835 864283607 /nfs/dbraw/zinc/28/36/07/864283607.db2.gz JINMCHSRVIKSBW-UHFFFAOYSA-N 0 1 386.515 3.733 20 10 GHCDMN CCN(CC)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000735518355 864824144 /nfs/dbraw/zinc/82/41/44/864824144.db2.gz IZEOEFKVEINFLI-SFHVURJKSA-N 0 1 386.492 3.648 20 10 GHCDMN CC[C@H](NCc1ccccc1S(C)(=O)=O)c1cc(Br)ccc1O ZINC000840866581 865034208 /nfs/dbraw/zinc/03/42/08/865034208.db2.gz LTPHFOAZMPTVKF-HNNXBMFYSA-N 0 1 398.322 3.799 20 10 GHCDMN COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3ccccc3O)CCN2C2CC2)c1 ZINC000183766385 867782894 /nfs/dbraw/zinc/78/28/94/867782894.db2.gz IGIGSJJIFFDZMG-IFMALSPDSA-N 0 1 395.503 3.520 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3cc4cc(F)ccc4o3)SC2=S)CC1 ZINC000743282298 868029710 /nfs/dbraw/zinc/02/97/10/868029710.db2.gz KTRCSDXDHWEXSI-YBEGLDIGSA-N 0 1 376.478 3.867 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000743871048 868468062 /nfs/dbraw/zinc/46/80/62/868468062.db2.gz NZFLSJYJYYBFBR-SFHVURJKSA-N 0 1 391.309 3.806 20 10 GHCDMN COc1ccc([C@@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174650423 869050886 /nfs/dbraw/zinc/05/08/86/869050886.db2.gz FIHGUUARTHEJPN-JOCHJYFZSA-N 0 1 397.496 3.684 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000745490895 869590319 /nfs/dbraw/zinc/59/03/19/869590319.db2.gz IEUJTGJDAVHRFI-UHFFFAOYSA-N 0 1 394.563 3.731 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](CC(C)C)C3)cc2F)CC1 ZINC000745809598 869830462 /nfs/dbraw/zinc/83/04/62/869830462.db2.gz UTZIDYJIKKVDBL-IBGZPJMESA-N 0 1 390.547 3.545 20 10 GHCDMN COc1cc2c(cc1CN[C@H](C)c1ccc(N3CCOCC3)cc1)O[C@@H](C)C2 ZINC000065429979 870084960 /nfs/dbraw/zinc/08/49/60/870084960.db2.gz RKHNVFISVJOGQR-DLBZAZTESA-N 0 1 382.504 3.706 20 10 GHCDMN CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000793690563 882380616 /nfs/dbraw/zinc/38/06/16/882380616.db2.gz VSJJYSSIYVNSBP-KFKAGJAMSA-N 0 1 394.943 3.722 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000793748907 882404905 /nfs/dbraw/zinc/40/49/05/882404905.db2.gz VKZUACNOXDMPTO-GOSISDBHSA-N 0 1 381.472 3.577 20 10 GHCDMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000920866502 882426170 /nfs/dbraw/zinc/42/61/70/882426170.db2.gz FJPWZSPNOUTZFH-RDJZCZTQSA-N 0 1 397.519 3.593 20 10 GHCDMN C[NH+](C)CCCC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000766381196 870666830 /nfs/dbraw/zinc/66/68/30/870666830.db2.gz LLDJPRDRDVVHKN-UHFFFAOYSA-N 0 1 396.531 3.883 20 10 GHCDMN CCOc1ccc(N2CCN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001168878815 870964899 /nfs/dbraw/zinc/96/48/99/870964899.db2.gz DOCMEOXDIBLHPV-IEBWSBKVSA-N 0 1 389.540 3.605 20 10 GHCDMN COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193612839 871189161 /nfs/dbraw/zinc/18/91/61/871189161.db2.gz USYQQOPBCKGNOI-HNNXBMFYSA-N 0 1 375.808 3.515 20 10 GHCDMN Cc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)n(Cc2ccccc2F)n1 ZINC001193605017 871212091 /nfs/dbraw/zinc/21/20/91/871212091.db2.gz BEVKPZLXUQSOMR-UHFFFAOYSA-N 0 1 375.787 3.696 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@@]2(C)CC2(F)F)C1 ZINC000618634378 871786157 /nfs/dbraw/zinc/78/61/57/871786157.db2.gz CBUSXNFUMAGUNF-NRFANRHFSA-N 0 1 389.490 3.959 20 10 GHCDMN CO[C@@]1(C)CCCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000477863960 872039815 /nfs/dbraw/zinc/03/98/15/872039815.db2.gz PGTASEVRYKSLSM-DEOSSOPVSA-N 0 1 397.563 3.825 20 10 GHCDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000857847476 882585791 /nfs/dbraw/zinc/58/57/91/882585791.db2.gz ORAMHCNEUUVSLE-IIBYNOLFSA-N 0 1 392.503 3.964 20 10 GHCDMN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(C)c1O ZINC000775643343 872218997 /nfs/dbraw/zinc/21/89/97/872218997.db2.gz VHEADVBMWDGDIP-UHFFFAOYSA-N 0 1 390.867 3.586 20 10 GHCDMN CCN(CC)c1ccc(CN(C)Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000768209051 873145426 /nfs/dbraw/zinc/14/54/26/873145426.db2.gz YEDXFWKNSRQWEE-UHFFFAOYSA-N 0 1 383.536 3.632 20 10 GHCDMN CCOC(=O)CN(Cc1ccccc1)Cc1cccc(Br)c1O ZINC000768236214 873185802 /nfs/dbraw/zinc/18/58/02/873185802.db2.gz BTSVPRWIWTZXIT-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN Cc1cc(Br)cc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1O ZINC000775726685 873234241 /nfs/dbraw/zinc/23/42/41/873234241.db2.gz WPCJMAAWHVWALV-AWEZNQCLSA-N 0 1 382.220 3.598 20 10 GHCDMN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)c1cccc(OC)c1 ZINC000921231179 882745381 /nfs/dbraw/zinc/74/53/81/882745381.db2.gz NIDYPDXCAYATFT-GOSISDBHSA-N 0 1 383.536 3.803 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768910824 873678601 /nfs/dbraw/zinc/67/86/01/873678601.db2.gz AEMGOLSVGSQULA-SVEBXFOSSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910824 873678607 /nfs/dbraw/zinc/67/86/07/873678607.db2.gz AEMGOLSVGSQULA-SVEBXFOSSA-N 0 1 376.909 3.901 20 10 GHCDMN O=C(/C=C\c1ccsc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768910824 873678618 /nfs/dbraw/zinc/67/86/18/873678618.db2.gz AEMGOLSVGSQULA-SVEBXFOSSA-N 0 1 376.909 3.901 20 10 GHCDMN CC(C)CCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768915428 873683244 /nfs/dbraw/zinc/68/32/44/873683244.db2.gz LCGMIOKJWYAOLR-CRAIPNDOSA-N 0 1 382.932 3.577 20 10 GHCDMN COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1[O-] ZINC000769400641 874020631 /nfs/dbraw/zinc/02/06/31/874020631.db2.gz YJUTUFJHLBLWGB-UHFFFAOYSA-N 0 1 394.265 3.532 20 10 GHCDMN COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Br)ccc1[O-] ZINC000769400641 874020653 /nfs/dbraw/zinc/02/06/53/874020653.db2.gz YJUTUFJHLBLWGB-UHFFFAOYSA-N 0 1 394.265 3.532 20 10 GHCDMN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)CC1 ZINC000769848784 874324735 /nfs/dbraw/zinc/32/47/35/874324735.db2.gz PHGVJVXREUKVSL-UHFFFAOYSA-N 0 1 395.528 3.783 20 10 GHCDMN O=C(c1ccncc1)c1ccccc1NS(=O)(=O)c1ccc2occc2c1 ZINC001198870728 874688023 /nfs/dbraw/zinc/68/80/23/874688023.db2.gz SDZYWEBISSHPCT-UHFFFAOYSA-N 0 1 378.409 3.860 20 10 GHCDMN COc1ccc(Cl)cc1NC(=O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858147992 882885603 /nfs/dbraw/zinc/88/56/03/882885603.db2.gz HFJDATUAXKZRTB-UHFFFAOYSA-N 0 1 397.853 3.811 20 10 GHCDMN Cc1nc2cc(NCc3c(O)cccc3Br)ccc2n1[C@H](C)CO ZINC000858176172 882911078 /nfs/dbraw/zinc/91/10/78/882911078.db2.gz NNBVQPWFUMXSGS-LLVKDONJSA-N 0 1 390.281 3.978 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000771841897 875481638 /nfs/dbraw/zinc/48/16/38/875481638.db2.gz GOWQNKKQNGEZAD-QGZVFWFLSA-N 0 1 383.540 3.720 20 10 GHCDMN OCC1CCN(c2ccc(CNCc3cc(F)ccc3OC(F)F)cc2)CC1 ZINC000850072588 876637908 /nfs/dbraw/zinc/63/79/08/876637908.db2.gz CQYKMTSSQDEGJK-UHFFFAOYSA-N 0 1 394.437 3.926 20 10 GHCDMN COc1ccc(N2CC[C@H](NCc3cc(Br)cnc3Cl)C2)cc1 ZINC000850346033 876837416 /nfs/dbraw/zinc/83/74/16/876837416.db2.gz BJXPRYZHBNBWLZ-AWEZNQCLSA-N 0 1 396.716 3.875 20 10 GHCDMN COCCN1CC[C@H](NC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000772688099 876911317 /nfs/dbraw/zinc/91/13/17/876911317.db2.gz NQYHXBYMZATUOQ-SFHVURJKSA-N 0 1 395.507 3.619 20 10 GHCDMN COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000850482673 876957225 /nfs/dbraw/zinc/95/72/25/876957225.db2.gz QSDPHNBQZCJYOJ-PXNSSMCTSA-N 0 1 395.499 3.825 20 10 GHCDMN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1[O-] ZINC000850558328 877025642 /nfs/dbraw/zinc/02/56/42/877025642.db2.gz QFMGDKNXFCVWKN-SWLSCSKDSA-N 0 1 383.330 3.842 20 10 GHCDMN CC[C@@H](NCc1ncnn1-c1ccccc1)c1cc(Br)ccc1O ZINC000786936021 877066258 /nfs/dbraw/zinc/06/62/58/877066258.db2.gz DAAYLZDHSBFPMV-MRXNPFEDSA-N 0 1 387.281 3.976 20 10 GHCDMN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175673773 877450994 /nfs/dbraw/zinc/45/09/94/877450994.db2.gz FHLUPIYPKKRSSA-UHFFFAOYSA-N 0 1 394.544 3.945 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093684993 912384980 /nfs/dbraw/zinc/38/49/80/912384980.db2.gz PTWJFZUWCNSEMD-LBPRGKRZSA-N 0 1 378.822 3.668 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093684993 912385014 /nfs/dbraw/zinc/38/50/14/912385014.db2.gz PTWJFZUWCNSEMD-LBPRGKRZSA-N 0 1 378.822 3.668 20 10 GHCDMN O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1c(F)ccc(O)c1O ZINC000789962926 879368256 /nfs/dbraw/zinc/36/82/56/879368256.db2.gz DBJSGUVISVBJQF-UHFFFAOYSA-N 0 1 380.347 3.815 20 10 GHCDMN CCN(CC)Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000746878284 879449724 /nfs/dbraw/zinc/44/97/24/879449724.db2.gz VTBSRTKSSWOABN-UHFFFAOYSA-N 0 1 387.549 3.605 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC2(F)F)C1 ZINC000452812820 880052251 /nfs/dbraw/zinc/05/22/51/880052251.db2.gz GSKTVRZDBLGDPA-MRXNPFEDSA-N 0 1 389.490 3.959 20 10 GHCDMN Cc1ccc(C(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)cc1F ZINC000792162062 880929412 /nfs/dbraw/zinc/92/94/12/880929412.db2.gz AEJNPUXTQWUSIX-UHFFFAOYSA-N 0 1 380.822 3.590 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000792168025 880958798 /nfs/dbraw/zinc/95/87/98/880958798.db2.gz XXROHAKMZYPCGH-UHFFFAOYSA-N 0 1 378.860 3.512 20 10 GHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000792173402 880963302 /nfs/dbraw/zinc/96/33/02/880963302.db2.gz GRYXJGMWXDHJSX-OAHLLOKOSA-N 0 1 389.814 3.808 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1O ZINC000792188499 880976182 /nfs/dbraw/zinc/97/61/82/880976182.db2.gz WNMZAFMHEPCPCC-UHFFFAOYSA-N 0 1 378.266 3.720 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1Cc2ccccc2CO1 ZINC000858688941 883286746 /nfs/dbraw/zinc/28/67/46/883286746.db2.gz XDCXMAXGBLWQPK-HNNXBMFYSA-N 0 1 381.259 3.640 20 10 GHCDMN CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)CC(C)C ZINC001130004612 883488156 /nfs/dbraw/zinc/48/81/56/883488156.db2.gz SUJKEWBSWNPJQF-GOSISDBHSA-N 0 1 385.552 3.585 20 10 GHCDMN C[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])[C@@H]1c1ccccc1 ZINC000805235607 883679777 /nfs/dbraw/zinc/67/97/77/883679777.db2.gz DMUYOPSEYFJYQQ-SJORKVTESA-N 0 1 394.302 3.944 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)C3(C)CCC(F)(F)CC3)cc2F)CC1 ZINC000859261597 883701657 /nfs/dbraw/zinc/70/16/57/883701657.db2.gz OXPNGOLWSBNWQK-UHFFFAOYSA-N 0 1 397.485 3.799 20 10 GHCDMN COC(=O)c1cc2ccccc2c(CN2CCO[C@H](c3cccs3)C2)c1O ZINC000760407976 884066272 /nfs/dbraw/zinc/06/62/72/884066272.db2.gz KXSQHPLUUHLNEG-SFHVURJKSA-N 0 1 383.469 3.967 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCCC[C@H]2CC(C)C)c1 ZINC000757615432 884104047 /nfs/dbraw/zinc/10/40/47/884104047.db2.gz UXHIZAQSCVDWBW-QFIPXVFZSA-N 0 1 388.552 3.828 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000918657462 884126194 /nfs/dbraw/zinc/12/61/94/884126194.db2.gz DBZKUJIQXHAYHP-UHFFFAOYSA-N 0 1 381.436 3.588 20 10 GHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685730 884212713 /nfs/dbraw/zinc/21/27/13/884212713.db2.gz BWISFPFGCIFGQK-UHFFFAOYSA-N 0 1 392.834 3.628 20 10 GHCDMN CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC001275242008 912814731 /nfs/dbraw/zinc/81/47/31/912814731.db2.gz PKBRBBNAGKGFFU-CZUORRHYSA-N 0 1 395.341 3.672 20 10 GHCDMN CC[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806144658 884403566 /nfs/dbraw/zinc/40/35/66/884403566.db2.gz SUXFNULHONJXML-GOSISDBHSA-N 0 1 395.975 3.713 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccc(C(F)(F)F)nn1 ZINC000806431791 884670354 /nfs/dbraw/zinc/67/03/54/884670354.db2.gz FUDNVNOJYDGYLY-UHFFFAOYSA-N 0 1 381.141 3.830 20 10 GHCDMN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000860485753 884728214 /nfs/dbraw/zinc/72/82/14/884728214.db2.gz GUQSWMYWCFXVGH-HNNXBMFYSA-N 0 1 393.491 3.568 20 10 GHCDMN Cc1cc(C)c(CNC(=O)Cc2n[nH]c3cc(Br)ccc23)c(O)c1 ZINC001183932084 912890099 /nfs/dbraw/zinc/89/00/99/912890099.db2.gz LPFSMMXYRPCJIW-UHFFFAOYSA-N 0 1 388.265 3.507 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCc1cc(=O)[nH]c2ccccc12 ZINC000806938694 885132762 /nfs/dbraw/zinc/13/27/62/885132762.db2.gz UNOMTDYLSKJVNH-UHFFFAOYSA-N 0 1 392.242 3.952 20 10 GHCDMN COC(=O)c1cccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807061696 885214388 /nfs/dbraw/zinc/21/43/88/885214388.db2.gz YHTBRKURGBQGPE-UHFFFAOYSA-N 0 1 397.258 3.528 20 10 GHCDMN Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1-c1ccccc1 ZINC000807840779 885769286 /nfs/dbraw/zinc/76/92/86/885769286.db2.gz JPODRINEAGGEFC-UHFFFAOYSA-N 0 1 377.231 3.518 20 10 GHCDMN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840067 885771951 /nfs/dbraw/zinc/77/19/51/885771951.db2.gz XAACODVKGHOHTD-UHFFFAOYSA-N 0 1 377.268 3.619 20 10 GHCDMN CC(=O)N1CCc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000807835554 885798521 /nfs/dbraw/zinc/79/85/21/885798521.db2.gz HDZHLDSNFALGNN-UHFFFAOYSA-N 0 1 379.243 3.538 20 10 GHCDMN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835614 885799221 /nfs/dbraw/zinc/79/92/21/885799221.db2.gz JYIFUJADNYZDKB-LLVKDONJSA-N 0 1 396.336 3.556 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CCCC(=O)N2 ZINC000807837575 885800428 /nfs/dbraw/zinc/80/04/28/885800428.db2.gz VXOXONIHDPEHRJ-UHFFFAOYSA-N 0 1 379.243 3.904 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000807837588 885800469 /nfs/dbraw/zinc/80/04/69/885800469.db2.gz WSHKTUDXMIIMNE-UHFFFAOYSA-N 0 1 399.249 3.605 20 10 GHCDMN CN(CC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OCc1ccccc1 ZINC000807836860 885802251 /nfs/dbraw/zinc/80/22/51/885802251.db2.gz RSSWRBCFLARASN-UHFFFAOYSA-N 0 1 397.258 3.584 20 10 GHCDMN O=C(CCCNC(=O)c1ccsc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836881 885802426 /nfs/dbraw/zinc/80/24/26/885802426.db2.gz SLUJCOJZKKRQKP-UHFFFAOYSA-N 0 1 387.288 3.587 20 10 GHCDMN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837996 885803817 /nfs/dbraw/zinc/80/38/17/885803817.db2.gz IPEYORQDWRXRAV-NSHDSACASA-N 0 1 382.243 3.985 20 10 GHCDMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838176 885804239 /nfs/dbraw/zinc/80/42/39/885804239.db2.gz LWVFVSPABBIEQN-UHFFFAOYSA-N 0 1 393.270 3.906 20 10 GHCDMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839779 885804547 /nfs/dbraw/zinc/80/45/47/885804547.db2.gz LMDGJUYWHQEDQU-LLVKDONJSA-N 0 1 387.307 3.790 20 10 GHCDMN O=S(=O)(Cc1cccc(Cl)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000808312825 886217706 /nfs/dbraw/zinc/21/77/06/886217706.db2.gz HLVCDSQMSCYZFG-UHFFFAOYSA-N 0 1 380.680 3.972 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000808729533 886743918 /nfs/dbraw/zinc/74/39/18/886743918.db2.gz LOAPLCBTTVKBDW-HDMKZQKVSA-N 0 1 378.266 3.690 20 10 GHCDMN C[C@H](c1ccccc1)N(CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000119283677 886890159 /nfs/dbraw/zinc/89/01/59/886890159.db2.gz OAFTYPOIZDXPNR-GOSISDBHSA-N 0 1 375.472 3.667 20 10 GHCDMN COC(=O)c1cnc(C2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)s1 ZINC000863296027 887009755 /nfs/dbraw/zinc/00/97/55/887009755.db2.gz AXLCNLOZDGTURL-UHFFFAOYSA-N 0 1 383.473 3.563 20 10 GHCDMN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])C1 ZINC000863340241 887044481 /nfs/dbraw/zinc/04/44/81/887044481.db2.gz MCYBSTPTMTZDJS-GNAXCBTBSA-N 0 1 386.536 3.605 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C2CC2)cc1 ZINC000863857208 887416833 /nfs/dbraw/zinc/41/68/33/887416833.db2.gz ISBJYDCEVXJRCL-UHFFFAOYSA-N 0 1 376.460 3.653 20 10 GHCDMN CCc1ccc(C[N@@H+](C)Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])cc1 ZINC000915807875 887466823 /nfs/dbraw/zinc/46/68/23/887466823.db2.gz OXOFQTNVVWYFJZ-UHFFFAOYSA-N 0 1 396.531 3.621 20 10 GHCDMN C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000809658845 887619189 /nfs/dbraw/zinc/61/91/89/887619189.db2.gz XUCKRAHQTRETAS-YADARESESA-N 0 1 378.516 3.629 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2Cc3ccccc3[C@H](C)C2)c1 ZINC000915838906 887686640 /nfs/dbraw/zinc/68/66/40/887686640.db2.gz RBAAMXQZTFJYKV-QGZVFWFLSA-N 0 1 394.515 3.546 20 10 GHCDMN c1ccc(CN2CCc3cc(CN4CCO[C@@]5(CCCOC5)C4)ccc32)cc1 ZINC000809686592 887704232 /nfs/dbraw/zinc/70/42/32/887704232.db2.gz DYUUYCVOPFZYAQ-DEOSSOPVSA-N 0 1 378.516 3.631 20 10 GHCDMN C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)CCO2 ZINC000794670284 887716248 /nfs/dbraw/zinc/71/62/48/887716248.db2.gz VZIRMYXYEDBFAT-BFUOFWGJSA-N 0 1 392.293 3.688 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790135 887844308 /nfs/dbraw/zinc/84/43/08/887844308.db2.gz AIPIKZFIFHFIJV-IBGZPJMESA-N 0 1 394.284 3.721 20 10 GHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000809790135 887844318 /nfs/dbraw/zinc/84/43/18/887844318.db2.gz AIPIKZFIFHFIJV-IBGZPJMESA-N 0 1 394.284 3.721 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)c2C)cc1 ZINC000763197334 888230301 /nfs/dbraw/zinc/23/03/01/888230301.db2.gz OVVOGWVQWWWIEF-CQSZACIVSA-N 0 1 381.480 3.835 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209401 888321436 /nfs/dbraw/zinc/32/14/36/888321436.db2.gz QNXXFWFOAGDDJZ-OAHLLOKOSA-N 0 1 377.370 3.628 20 10 GHCDMN CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866436012 888875713 /nfs/dbraw/zinc/87/57/13/888875713.db2.gz IUCNMRBFTUYRDM-WCQYABFASA-N 0 1 393.207 3.591 20 10 GHCDMN CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000866435790 888876147 /nfs/dbraw/zinc/87/61/47/888876147.db2.gz GBYOKKSVLFKQIT-YPMHNXCESA-N 0 1 382.308 3.847 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)ccc1[O-] ZINC000812739755 890921985 /nfs/dbraw/zinc/92/19/85/890921985.db2.gz CHKKPJBGYJFCLU-DGCLKSJQSA-N 0 1 393.256 3.750 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cc1[O-] ZINC000812741087 890923072 /nfs/dbraw/zinc/92/30/72/890923072.db2.gz QIDQTGKXFGJCSU-WCQYABFASA-N 0 1 393.256 3.750 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2c2ccco2)c1 ZINC000872633528 891289943 /nfs/dbraw/zinc/28/99/43/891289943.db2.gz KHFCVCQNHQEWTD-JOCHJYFZSA-N 0 1 398.503 3.603 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC(C)(C)[C@H]2c2ccco2)c1 ZINC000872633528 891289959 /nfs/dbraw/zinc/28/99/59/891289959.db2.gz KHFCVCQNHQEWTD-JOCHJYFZSA-N 0 1 398.503 3.603 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000825622379 891309133 /nfs/dbraw/zinc/30/91/33/891309133.db2.gz UPWIUOALAAGQNX-BXUZGUMPSA-N 0 1 382.220 3.728 20 10 GHCDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCc2ccccc2C1 ZINC001212054912 891450501 /nfs/dbraw/zinc/45/05/01/891450501.db2.gz SXACMVVJQRLWPI-HNNXBMFYSA-N 0 1 386.300 3.676 20 10 GHCDMN CCOC(=O)Nc1scnc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684785 891876872 /nfs/dbraw/zinc/87/68/72/891876872.db2.gz XBYOLQPZQUIIHA-UHFFFAOYSA-N 0 1 390.248 3.654 20 10 GHCDMN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917469898 892063058 /nfs/dbraw/zinc/06/30/58/892063058.db2.gz ZWBBEJUUDOKTFA-MRXNPFEDSA-N 0 1 382.504 3.755 20 10 GHCDMN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000917469898 892063071 /nfs/dbraw/zinc/06/30/71/892063071.db2.gz ZWBBEJUUDOKTFA-MRXNPFEDSA-N 0 1 382.504 3.755 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NC[C@@H](c2cccs2)N(C)C)C2CC2)cc1 ZINC000918057645 893069722 /nfs/dbraw/zinc/06/97/22/893069722.db2.gz XUXNWTXPDPTHPE-IBGZPJMESA-N 0 1 386.565 3.791 20 10 GHCDMN Oc1ccccc1CN(Cc1ccnc(Br)c1)C[C@H]1CCCO1 ZINC000815070210 893415324 /nfs/dbraw/zinc/41/53/24/893415324.db2.gz MTMQLZYEIOMGDA-MRXNPFEDSA-N 0 1 377.282 3.731 20 10 GHCDMN Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cnn[nH]1 ZINC000918323948 893520748 /nfs/dbraw/zinc/52/07/48/893520748.db2.gz RHQWEELFRGLYMM-HNNXBMFYSA-N 0 1 389.381 3.730 20 10 GHCDMN O[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000877599117 893709061 /nfs/dbraw/zinc/70/90/61/893709061.db2.gz PYXOXEAXXWPMAF-FGZHOGPDSA-N 0 1 386.923 3.609 20 10 GHCDMN COc1c([O-])c(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774869579 913840226 /nfs/dbraw/zinc/84/02/26/913840226.db2.gz MOYJAXBUIIDSEQ-XLIONFOSSA-N 0 1 386.448 3.909 20 10 GHCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879023596 894789008 /nfs/dbraw/zinc/78/90/08/894789008.db2.gz FZDUOSONTMDRSG-PIGZYNQJSA-N 0 1 392.297 3.592 20 10 GHCDMN O=C(COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1)NC1CC1 ZINC000816537259 894907764 /nfs/dbraw/zinc/90/77/64/894907764.db2.gz YMRLAEYKKWLVAY-UHFFFAOYSA-N 0 1 390.483 3.535 20 10 GHCDMN [O-]c1c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)ccc2ccccc12 ZINC000816592877 894936821 /nfs/dbraw/zinc/93/68/21/894936821.db2.gz XEZJBYJLQRDDCO-AWEZNQCLSA-N 0 1 375.390 3.904 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000880886408 895964448 /nfs/dbraw/zinc/96/44/48/895964448.db2.gz PPLOZADDIXDTNQ-JTQLQIEISA-N 0 1 389.264 3.724 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913872 914025403 /nfs/dbraw/zinc/02/54/03/914025403.db2.gz SRKICJDRIPMAJE-NVXWUHKLSA-N 0 1 390.436 3.770 20 10 GHCDMN Cc1cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000820134268 897183478 /nfs/dbraw/zinc/18/34/78/897183478.db2.gz RSRNJCNAKQETPS-QGZVFWFLSA-N 0 1 399.510 3.559 20 10 GHCDMN Cn1cc([C@H](NCc2cc(Cl)cc(Br)c2O)C(F)(F)F)cn1 ZINC000883118102 897297339 /nfs/dbraw/zinc/29/73/39/897297339.db2.gz OHOVSENDASPKNA-LBPRGKRZSA-N 0 1 398.610 3.935 20 10 GHCDMN COC(=O)CC[N@H+](Cc1ccncc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000132798665 897910269 /nfs/dbraw/zinc/91/02/69/897910269.db2.gz XTFJSCYSMMTRRP-UHFFFAOYSA-N 0 1 394.471 3.978 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1ccncc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000132798665 897910280 /nfs/dbraw/zinc/91/02/80/897910280.db2.gz XTFJSCYSMMTRRP-UHFFFAOYSA-N 0 1 394.471 3.978 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCc4cc(F)c(F)c(F)c43)cc2F)CC1 ZINC000823703090 899197721 /nfs/dbraw/zinc/19/77/21/899197721.db2.gz VKTSVAIWEZQXFY-KRWDZBQOSA-N 0 1 394.412 3.981 20 10 GHCDMN Cc1cnc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)s1 ZINC000824065701 899378221 /nfs/dbraw/zinc/37/82/21/899378221.db2.gz CKHCMLKHILCUGA-KRWDZBQOSA-N 0 1 390.553 3.873 20 10 GHCDMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)c(C)cc1O ZINC000824507275 899674974 /nfs/dbraw/zinc/67/49/74/899674974.db2.gz GVTQWBQGJDMKSV-UHFFFAOYSA-N 0 1 389.883 3.773 20 10 GHCDMN CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824591458 899707991 /nfs/dbraw/zinc/70/79/91/899707991.db2.gz VPKBHZUMTCCCKP-MRXNPFEDSA-N 0 1 391.430 3.664 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000824937744 899898094 /nfs/dbraw/zinc/89/80/94/899898094.db2.gz DDEXSEDVURBTDV-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000824937744 899898103 /nfs/dbraw/zinc/89/81/03/899898103.db2.gz DDEXSEDVURBTDV-STQMWFEESA-N 0 1 399.329 3.890 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000825107531 899975682 /nfs/dbraw/zinc/97/56/82/899975682.db2.gz ILRPKGDQUAIIPD-UHFFFAOYSA-N 0 1 391.187 3.781 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000825422178 900158669 /nfs/dbraw/zinc/15/86/69/900158669.db2.gz KUQNAMKMGLXHPF-UHFFFAOYSA-N 0 1 376.298 3.830 20 10 GHCDMN CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844207861 900600332 /nfs/dbraw/zinc/60/03/32/900600332.db2.gz CIYRMFBYYXNEGS-LUAWRHEFSA-N 0 1 395.459 3.793 20 10 GHCDMN COc1cc(F)c(CNCc2ccc(N3CCSCC3)cc2)cc1OC ZINC000845923302 902531798 /nfs/dbraw/zinc/53/17/98/902531798.db2.gz BAWXXWBAHSZCPK-UHFFFAOYSA-N 0 1 376.497 3.686 20 10 GHCDMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845972707 902552986 /nfs/dbraw/zinc/55/29/86/902552986.db2.gz STOSZSDURUCCGK-LBPRGKRZSA-N 0 1 383.897 3.699 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)cc2=O ZINC000846257579 902831438 /nfs/dbraw/zinc/83/14/38/902831438.db2.gz SCSDFXACOIIUAH-DOJUMQAQSA-N 0 1 392.459 3.591 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2ccncc2)C1 ZINC000578597253 903995129 /nfs/dbraw/zinc/99/51/29/903995129.db2.gz RBGFIMFMOSHOOY-GOSISDBHSA-N 0 1 390.531 3.550 20 10 GHCDMN COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 ZINC000151516274 904147767 /nfs/dbraw/zinc/14/77/67/904147767.db2.gz BWLOXXMOCAQXIU-CQSZACIVSA-N 0 1 376.447 3.785 20 10 GHCDMN C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000773015733 904375894 /nfs/dbraw/zinc/37/58/94/904375894.db2.gz WNJMUMHFOHXJAR-ORAYPTAESA-N 0 1 396.865 3.839 20 10 GHCDMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000773136093 904465649 /nfs/dbraw/zinc/46/56/49/904465649.db2.gz FRAUTRGONZXXJN-KBPBESRZSA-N 0 1 377.920 3.830 20 10 GHCDMN COc1ccc(CN2CCN(C)CC2)cc1NCc1cc2ccccc2cc1O ZINC001171406596 904517976 /nfs/dbraw/zinc/51/79/76/904517976.db2.gz AEQOZXVGROJDKD-UHFFFAOYSA-N 0 1 391.515 3.914 20 10 GHCDMN COc1ccc(C[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)CCCO)cc1 ZINC001175121613 907389255 /nfs/dbraw/zinc/38/92/55/907389255.db2.gz VNHKERKFXFTGGI-HNNXBMFYSA-N 0 1 389.467 3.906 20 10 GHCDMN COc1ccc(C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)CCCO)cc1 ZINC001175121613 907389272 /nfs/dbraw/zinc/38/92/72/907389272.db2.gz VNHKERKFXFTGGI-HNNXBMFYSA-N 0 1 389.467 3.906 20 10 GHCDMN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185027292 907699714 /nfs/dbraw/zinc/69/97/14/907699714.db2.gz FLASSXMFIMDHGT-GFCCVEGCSA-N 0 1 377.282 3.755 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H](C(F)(F)F)O1 ZINC001179877589 909799961 /nfs/dbraw/zinc/79/99/61/909799961.db2.gz HTPDSAWKYHFQKP-RDDDGLTNSA-N 0 1 388.611 3.960 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001179881474 909802330 /nfs/dbraw/zinc/80/23/30/909802330.db2.gz GJMIELHQYWJQCM-CYBMUJFWSA-N 0 1 392.849 3.977 20 10 GHCDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001179881474 909802341 /nfs/dbraw/zinc/80/23/41/909802341.db2.gz GJMIELHQYWJQCM-CYBMUJFWSA-N 0 1 392.849 3.977 20 10 GHCDMN O=C(CC[NH2+]Cc1ccc(Cl)cc1[O-])Nc1ccc(Br)cc1 ZINC001180768252 910349127 /nfs/dbraw/zinc/34/91/27/910349127.db2.gz DFOHTYZOGMGSBK-UHFFFAOYSA-N 0 1 383.673 3.927 20 10 GHCDMN CCCOc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000271203113 910815291 /nfs/dbraw/zinc/81/52/91/910815291.db2.gz XEDIBYWCWLUFEZ-UHFFFAOYSA-N 0 1 382.504 3.918 20 10 GHCDMN CCCOc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000271203113 910815299 /nfs/dbraw/zinc/81/52/99/910815299.db2.gz XEDIBYWCWLUFEZ-UHFFFAOYSA-N 0 1 382.504 3.918 20 10 GHCDMN CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092754517 911773595 /nfs/dbraw/zinc/77/35/95/911773595.db2.gz GWRGCVQJHGJZEC-CYBMUJFWSA-N 0 1 383.330 3.527 20 10 GHCDMN CN(c1ccc(CN[C@H](c2nnc[nH]2)c2cccnc2)cc1)C1CCCCC1 ZINC000284297215 911817331 /nfs/dbraw/zinc/81/73/31/911817331.db2.gz YLPKGQSJLWDVMZ-NRFANRHFSA-N 0 1 376.508 3.848 20 10 GHCDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC001189225855 916478276 /nfs/dbraw/zinc/47/82/76/916478276.db2.gz MMNXGAIZGXFXRO-UHFFFAOYSA-N 0 1 379.437 3.921 20 10 GHCDMN CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000775489140 918258429 /nfs/dbraw/zinc/25/84/29/918258429.db2.gz NIGNGNCNMOVMDB-YOEHRIQHSA-N 0 1 398.272 3.774 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)ccc1[O-] ZINC000775500525 918427397 /nfs/dbraw/zinc/42/73/97/918427397.db2.gz QNXFROFDGMAGTM-CQSZACIVSA-N 0 1 377.273 3.925 20 10 GHCDMN C[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000296618371 918477697 /nfs/dbraw/zinc/47/76/97/918477697.db2.gz WRHQMCZEGLVQQU-CYBMUJFWSA-N 0 1 383.389 3.927 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000775514381 918548999 /nfs/dbraw/zinc/54/89/99/918548999.db2.gz UQOKTFQLGVNXGK-KSZLIROESA-N 0 1 397.357 3.839 20 10 GHCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000801430605 921022797 /nfs/dbraw/zinc/02/27/97/921022797.db2.gz XDDKHBZIENQCBR-OAQYLSRUSA-N 0 1 395.547 3.587 20 10 GHCDMN CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000903172660 922828497 /nfs/dbraw/zinc/82/84/97/922828497.db2.gz AIRVVPBKPAFMIE-GOSISDBHSA-N 0 1 396.940 3.678 20 10 GHCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000826889244 924323271 /nfs/dbraw/zinc/32/32/71/924323271.db2.gz SHNPFORWRIWTNN-SJORKVTESA-N 0 1 384.442 3.850 20 10 GHCDMN COCC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCCC1 ZINC001137440499 925796569 /nfs/dbraw/zinc/79/65/69/925796569.db2.gz XCTKMYGASSGAOG-SFHVURJKSA-N 0 1 394.943 3.723 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@H](OCC(F)(F)F)C3)cc2)CC1 ZINC000827866419 926102396 /nfs/dbraw/zinc/10/23/96/926102396.db2.gz LRCCMEALCISWIP-IBGZPJMESA-N 0 1 386.458 3.845 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)s1 ZINC000827949912 926374760 /nfs/dbraw/zinc/37/47/60/926374760.db2.gz PEMMFVOINXLYAK-GFCCVEGCSA-N 0 1 380.897 3.977 20 10 GHCDMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)s1 ZINC000827949912 926374770 /nfs/dbraw/zinc/37/47/70/926374770.db2.gz PEMMFVOINXLYAK-GFCCVEGCSA-N 0 1 380.897 3.977 20 10 GHCDMN NC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000726969283 926963086 /nfs/dbraw/zinc/96/30/86/926963086.db2.gz PXFFVWNPHZUKNG-LJQANCHMSA-N 0 1 379.464 3.770 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000749837891 927306538 /nfs/dbraw/zinc/30/65/38/927306538.db2.gz GTTDDFRJSRBKEO-VQTJNVASSA-N 0 1 387.568 3.540 20 10 GHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924795188 931542059 /nfs/dbraw/zinc/54/20/59/931542059.db2.gz LONPYJPDVNSUCU-ZWKOTPCHSA-N 0 1 377.492 3.516 20 10 GHCDMN CC(=O)NC1CCC(N(C)CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000784544279 931930195 /nfs/dbraw/zinc/93/01/95/931930195.db2.gz HCOIFQCXUJKLHQ-UHFFFAOYSA-N 0 1 395.547 3.964 20 10 GHCDMN Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c([O-])cccc3F)O2)cs1 ZINC001137834550 935813477 /nfs/dbraw/zinc/81/34/77/935813477.db2.gz KOIPUKRVHKTDSG-QKYXUNIQSA-N 0 1 392.496 3.635 20 10 GHCDMN CC[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1cc(Br)ccc1O ZINC001596354367 983816951 /nfs/dbraw/zinc/81/69/51/983816951.db2.gz NBIOALVGZGQSIG-UHFFFAOYSA-N 0 1 381.270 3.522 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277212516 1032434019 /nfs/dbraw/zinc/43/40/19/1032434019.db2.gz CZFBBEIQBPTEBB-KRWDZBQOSA-N 0 1 390.833 3.731 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277212516 1032434027 /nfs/dbraw/zinc/43/40/27/1032434027.db2.gz CZFBBEIQBPTEBB-KRWDZBQOSA-N 0 1 390.833 3.731 20 10 GHCDMN CCOc1ccc([C@H](C)Oc2c(O)c(C(=O)OC)sc2C(=O)OC)cc1 ZINC001227621006 1032488078 /nfs/dbraw/zinc/48/80/78/1032488078.db2.gz ACEGTEZWEGHTPG-JTQLQIEISA-N 0 1 380.418 3.566 20 10 GHCDMN CN(C)c1ccc(CN2CCN(C(=O)Cc3ccsc3)CC2)c2ccccc21 ZINC001204241159 1032685168 /nfs/dbraw/zinc/68/51/68/1032685168.db2.gz YDJOKJAFOUYZIL-UHFFFAOYSA-N 0 1 393.556 3.854 20 10 GHCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC[C@H]2CCCC[C@H]21 ZINC000246266295 1021049567 /nfs/dbraw/zinc/04/95/67/1021049567.db2.gz RLVFSFPAKVXTKV-HLAWJBBLSA-N 0 1 386.536 3.554 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2F)CC1 ZINC000303256945 1021133489 /nfs/dbraw/zinc/13/34/89/1021133489.db2.gz CCJFVHKVUWDZKM-UHFFFAOYSA-N 0 1 393.865 3.690 20 10 GHCDMN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000800543612 1021318876 /nfs/dbraw/zinc/31/88/76/1021318876.db2.gz FQIKIHAIYIEFPF-CYBMUJFWSA-N 0 1 391.855 3.605 20 10 GHCDMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000800543612 1021318892 /nfs/dbraw/zinc/31/88/92/1021318892.db2.gz FQIKIHAIYIEFPF-CYBMUJFWSA-N 0 1 391.855 3.605 20 10 GHCDMN C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140288037 1021323133 /nfs/dbraw/zinc/32/31/33/1021323133.db2.gz IAQKOPPVVNWILJ-IBGZPJMESA-N 0 1 397.538 3.666 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001140343949 1021457782 /nfs/dbraw/zinc/45/77/82/1021457782.db2.gz APSLERCYWDEBBW-OZOXKJRCSA-N 0 1 395.927 3.611 20 10 GHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001140343949 1021457797 /nfs/dbraw/zinc/45/77/97/1021457797.db2.gz APSLERCYWDEBBW-OZOXKJRCSA-N 0 1 395.927 3.611 20 10 GHCDMN CN(C)c1ccc(/C=C/CN2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000835030000 1021787066 /nfs/dbraw/zinc/78/70/66/1021787066.db2.gz YQZXVZCCZWAZAQ-SNAWJCMRSA-N 0 1 377.488 3.781 20 10 GHCDMN Cc1c(O)ccc(CN2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1O ZINC001140747809 1022422006 /nfs/dbraw/zinc/42/20/06/1022422006.db2.gz AZSQRSQBRNLIKB-LJQANCHMSA-N 0 1 397.519 3.539 20 10 GHCDMN O=C(c1[nH]nc2cc(C(F)(F)F)ccc21)N1CCCc2cc(O)c(O)cc2C1 ZINC001156497416 1033066939 /nfs/dbraw/zinc/06/69/39/1033066939.db2.gz IHLDCLUBOITMMF-UHFFFAOYSA-N 0 1 391.349 3.582 20 10 GHCDMN 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Oc1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237936119 1042427448 /nfs/dbraw/zinc/42/74/48/1042427448.db2.gz GSBNDZZXWPASLZ-NVXWUHKLSA-N 0 1 394.849 3.661 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237936119 1042427450 /nfs/dbraw/zinc/42/74/50/1042427450.db2.gz GSBNDZZXWPASLZ-NVXWUHKLSA-N 0 1 394.849 3.661 20 10 GHCDMN [O-]c1cc(Cl)c(F)cc1CN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001237936119 1042427453 /nfs/dbraw/zinc/42/74/53/1042427453.db2.gz GSBNDZZXWPASLZ-NVXWUHKLSA-N 0 1 394.849 3.661 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)/C=C(/C)c3ccccc3C)cc2F)CC1 ZINC001293087187 1044016463 /nfs/dbraw/zinc/01/64/63/1044016463.db2.gz DKNSWDBOYAVSSA-CYVLTUHYSA-N 0 1 395.522 3.996 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1Cl)c1cccc2nsnc21 ZINC001260388036 1045486391 /nfs/dbraw/zinc/48/63/91/1045486391.db2.gz MRHVBIJRBJHWKH-UHFFFAOYSA-N 0 1 376.246 3.505 20 10 GHCDMN CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001260811439 1045677675 /nfs/dbraw/zinc/67/76/75/1045677675.db2.gz QXHTYCXCQWBVBQ-UHFFFAOYSA-N 0 1 392.436 3.657 20 10 GHCDMN Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001303086665 1047275923 /nfs/dbraw/zinc/27/59/23/1047275923.db2.gz YHMVKJHTFKNUEI-UHFFFAOYSA-N 0 1 396.922 3.812 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3nccc4ccsc43)cc2F)CC1 ZINC001265011908 1047540605 /nfs/dbraw/zinc/54/06/05/1047540605.db2.gz GJQXTMSRQMOSSK-UHFFFAOYSA-N 0 1 398.507 3.507 20 10 GHCDMN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001265012284 1047540754 /nfs/dbraw/zinc/54/07/54/1047540754.db2.gz VHEAWGVUIRTCFK-XMSQKQJNSA-N 0 1 375.532 3.800 20 10 GHCDMN [O-]c1c(Br)cc(F)cc1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001279351102 1047777074 /nfs/dbraw/zinc/77/70/74/1047777074.db2.gz OEUSBCRPJAFTBK-YVEFUNNKSA-N 0 1 383.305 3.743 20 10 GHCDMN CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665032 1047905119 /nfs/dbraw/zinc/90/51/19/1047905119.db2.gz IXCSKGACDMWRMD-UHFFFAOYSA-N 0 1 386.323 3.715 20 10 GHCDMN CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684719 1047914132 /nfs/dbraw/zinc/91/41/32/1047914132.db2.gz RDZNIAKYVZODPH-IBGZPJMESA-N 0 1 383.895 3.591 20 10 GHCDMN CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684719 1047914141 /nfs/dbraw/zinc/91/41/41/1047914141.db2.gz RDZNIAKYVZODPH-IBGZPJMESA-N 0 1 383.895 3.591 20 10 GHCDMN O=C(NCC(F)F)C1=CC2(CC1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC001279981719 1048025279 /nfs/dbraw/zinc/02/52/79/1048025279.db2.gz DSYDSMUDQVKAHC-UHFFFAOYSA-N 0 1 384.854 3.729 20 10 GHCDMN CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Br)CC2 ZINC001280312588 1048178221 /nfs/dbraw/zinc/17/82/21/1048178221.db2.gz FHCANHVNMIAAIZ-AWEZNQCLSA-N 0 1 395.341 3.672 20 10 GHCDMN COc1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1Cn1cccn1 ZINC001308280406 1049935569 /nfs/dbraw/zinc/93/55/69/1049935569.db2.gz IUTIYPVUUGKRMR-QFIPXVFZSA-N 0 1 387.487 3.668 20 10 GHCDMN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001308655669 1050049751 /nfs/dbraw/zinc/04/97/51/1050049751.db2.gz UAQDPPOAWNDZDV-UHFFFAOYSA-N 0 1 397.700 3.686 20 10 GHCDMN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(-n2cc(Cl)cn2)n1 ZINC001329155872 1050735712 /nfs/dbraw/zinc/73/57/12/1050735712.db2.gz JGCNKNGSRRKNAJ-UHFFFAOYSA-N 0 1 391.853 3.863 20 10 GHCDMN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC001329732217 1050897153 /nfs/dbraw/zinc/89/71/53/1050897153.db2.gz WUOYHESTGGWGLY-LBPRGKRZSA-N 0 1 385.302 3.501 20 10 GHCDMN CN1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001320167850 1055688003 /nfs/dbraw/zinc/68/80/03/1055688003.db2.gz ZHEWQXGKCPBSEZ-YADHBBJMSA-N 0 1 396.510 3.671 20 10 GHCDMN CCOc1cc(N2CCN(C)CC2)ccc1NCc1ccc(N(C)C)c(F)c1 ZINC001200791511 1056952433 /nfs/dbraw/zinc/95/24/33/1056952433.db2.gz LEATWJZOZCRBEM-UHFFFAOYSA-N 0 1 386.515 3.654 20 10 GHCDMN CN(C)c1ccc([C@@H](CN[C@@H]2CCCn3ccnc32)NC(=O)OC(C)(C)C)cc1 ZINC000848538996 1057160443 /nfs/dbraw/zinc/16/04/43/1057160443.db2.gz GDZAAGPCMLNTJV-RTBURBONSA-N 0 1 399.539 3.640 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001445882264 1059645563 /nfs/dbraw/zinc/64/55/63/1059645563.db2.gz KVLXBFISWMFZEG-GGXPGOJBSA-N 0 1 376.928 3.953 20 10 GHCDMN C[C@H]1[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCN1Cc1ccccc1 ZINC001450783824 1060687991 /nfs/dbraw/zinc/68/79/91/1060687991.db2.gz FVLFRTPWPAAANN-BBRMVZONSA-N 0 1 382.485 3.705 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)cc(OC)c3C)cc2F)CC1 ZINC001456130659 1062502511 /nfs/dbraw/zinc/50/25/11/1062502511.db2.gz QCLGKWUVYMRZKU-UHFFFAOYSA-N 0 1 399.510 3.523 20 10 GHCDMN COCCN1CCC[C@@H](NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001347774035 1062651055 /nfs/dbraw/zinc/65/10/55/1062651055.db2.gz YTHXGMHJJMQHQA-QGZVFWFLSA-N 0 1 389.927 3.588 20 10 GHCDMN CC(C)N(C)c1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001465552045 1065708747 /nfs/dbraw/zinc/70/87/47/1065708747.db2.gz ZBTQMDADSOZODR-UHFFFAOYSA-N 0 1 395.551 3.605 20 10 GHCDMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465951093 1065934938 /nfs/dbraw/zinc/93/49/38/1065934938.db2.gz IUJMKOMNUPZGJQ-LPHOPBHVSA-N 0 1 396.959 3.968 20 10 GHCDMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465951093 1065934945 /nfs/dbraw/zinc/93/49/45/1065934945.db2.gz IUJMKOMNUPZGJQ-LPHOPBHVSA-N 0 1 396.959 3.968 20 10 GHCDMN O=C(c1ccc(F)cc1)c1ccccc1NC(=S)NCCN1CCCCC1 ZINC001200418913 1066143371 /nfs/dbraw/zinc/14/33/71/1066143371.db2.gz MWDTZSLPENVQTE-UHFFFAOYSA-N 0 1 385.508 3.829 20 10 GHCDMN CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC001468057533 1067582971 /nfs/dbraw/zinc/58/29/71/1067582971.db2.gz YZGDYHAVDVJCAR-UHFFFAOYSA-N 0 1 375.900 3.887 20 10 GHCDMN COC1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000849344994 1067812480 /nfs/dbraw/zinc/81/24/80/1067812480.db2.gz GMLWPJWVIPONBT-FSSWDIPSSA-N 0 1 386.536 3.767 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000767297163 1068182840 /nfs/dbraw/zinc/18/28/40/1068182840.db2.gz SQRDIPSNXOAVFC-UHFFFAOYSA-N 0 1 383.477 3.568 20 10 GHCDMN COc1cncc(N2CCN(Cc3ccc(N4CCCCC4)c(C)c3)CC2)c1 ZINC001460636150 1069045843 /nfs/dbraw/zinc/04/58/43/1069045843.db2.gz HJKSZMKSDLLWIG-UHFFFAOYSA-N 0 1 380.536 3.711 20 10 GHCDMN CO[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001470547883 1072620250 /nfs/dbraw/zinc/62/02/50/1072620250.db2.gz IOVGSYGADXOSAD-WBVHZDCISA-N 0 1 381.259 3.811 20 10 GHCDMN COC(=O)c1ccc(CN2CCCN(c3ccc(OC)cc3)CC2)cc1Cl ZINC001473116062 1073787928 /nfs/dbraw/zinc/78/79/28/1073787928.db2.gz VSFJJNSOYLZGHE-UHFFFAOYSA-N 0 1 388.895 3.848 20 10 GHCDMN COc1ccnc(N2CCN(Cc3ccc(N4CCCCC4)c(C)c3)CC2)c1 ZINC001473152832 1073812269 /nfs/dbraw/zinc/81/22/69/1073812269.db2.gz LHYWRCVEONUOOQ-UHFFFAOYSA-N 0 1 380.536 3.711 20 10 GHCDMN Cc1cc(CN2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1N1CCCCC1 ZINC001473441630 1073964222 /nfs/dbraw/zinc/96/42/22/1073964222.db2.gz JPGJKRVUBWSOGT-NRFANRHFSA-N 0 1 384.568 3.563 20 10 GHCDMN NC(=O)C[C@@H](NCc1c(O)cccc1Br)c1ccc(Cl)cc1 ZINC001474091566 1074260844 /nfs/dbraw/zinc/26/08/44/1074260844.db2.gz LSMUFONLUGBBCK-CQSZACIVSA-N 0 1 383.673 3.514 20 10 GHCDMN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001474379524 1074376025 /nfs/dbraw/zinc/37/60/25/1074376025.db2.gz WIKMIUPFQWWPIP-UHFFFAOYSA-N 0 1 376.678 3.726 20 10 GHCDMN CN(C)C(=O)C[C@@H]1CN(Cc2ccc(F)c(F)c2O)c2ccc(Cl)cc21 ZINC001474502024 1074434378 /nfs/dbraw/zinc/43/43/78/1074434378.db2.gz QGAJORYLIBWQGT-GFCCVEGCSA-N 0 1 380.822 3.906 20 10 GHCDMN Cc1cc(Br)ccc1NC(=O)CNCc1ccc2c(c1)CCCO2 ZINC001474590855 1074474045 /nfs/dbraw/zinc/47/40/45/1074474045.db2.gz NMDFXSMODGBNMW-UHFFFAOYSA-N 0 1 389.293 3.811 20 10 GHCDMN O=C(NCc1cc(F)cc(NCc2ccc(Cl)cc2O)c1)C(F)(F)F ZINC001474656349 1074502903 /nfs/dbraw/zinc/50/29/03/1074502903.db2.gz HNYBUBVMZUQJIB-UHFFFAOYSA-N 0 1 376.737 3.975 20 10 GHCDMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1C1CC1 ZINC000255573729 834790105 /nfs/dbraw/zinc/79/01/05/834790105.db2.gz GEHSXLPMLSIBOO-DNVCBOLYSA-N 0 1 391.475 3.782 20 10 GHCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000176978496 835420152 /nfs/dbraw/zinc/42/01/52/835420152.db2.gz DPLWQWLGJYOGKS-UHFFFAOYSA-N 0 1 395.286 3.808 20 10 GHCDMN Oc1ccccc1CN(Cc1cnn(Cc2ccccc2)c1)C[C@@H]1CCCO1 ZINC000179443571 835719508 /nfs/dbraw/zinc/71/95/08/835719508.db2.gz QNWOHUWRBGOCNM-QFIPXVFZSA-N 0 1 377.488 3.818 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000177207683 836117963 /nfs/dbraw/zinc/11/79/63/836117963.db2.gz MMLAXAUJUQNTOI-AWEZNQCLSA-N 0 1 384.867 3.671 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000177207683 836117968 /nfs/dbraw/zinc/11/79/68/836117968.db2.gz MMLAXAUJUQNTOI-AWEZNQCLSA-N 0 1 384.867 3.671 20 10 GHCDMN O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000120763784 836298401 /nfs/dbraw/zinc/29/84/01/836298401.db2.gz GGTQSQPDYARYPI-UHFFFAOYSA-N 0 1 377.847 3.971 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC000683446974 837340238 /nfs/dbraw/zinc/34/02/38/837340238.db2.gz MQQMVBBJUJCUOP-OAHLLOKOSA-N 0 1 375.463 3.712 20 10 GHCDMN CSc1nc(NCc2ccc(N3CCN(C)CC3)cc2)cc(C(F)F)n1 ZINC001167430985 840033136 /nfs/dbraw/zinc/03/31/36/840033136.db2.gz AHWKVCAWWXIIOW-UHFFFAOYSA-N 0 1 379.480 3.500 20 10 GHCDMN CCOC(=O)C1(c2ccc(NCc3ccc(N4CCN(C)CC4)cc3)cc2)CC1 ZINC001167437164 840356487 /nfs/dbraw/zinc/35/64/87/840356487.db2.gz NRHQZTHINXBFKY-UHFFFAOYSA-N 0 1 393.531 3.645 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781900377 841315792 /nfs/dbraw/zinc/31/57/92/841315792.db2.gz JCXLTZOYSURNHQ-UXLLHSPISA-N 0 1 397.357 3.537 20 10 GHCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000731281195 861539809 /nfs/dbraw/zinc/53/98/09/861539809.db2.gz ZAGSUBFUGSOBTJ-GOSISDBHSA-N 0 1 381.520 3.761 20 10 GHCDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1[O-] ZINC000273391941 847325420 /nfs/dbraw/zinc/32/54/20/847325420.db2.gz KZIKNGSUNKLDGB-AWEZNQCLSA-N 0 1 391.309 3.842 20 10 GHCDMN CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Br)ccc1[O-] ZINC000155033148 849438894 /nfs/dbraw/zinc/43/88/94/849438894.db2.gz UGRRICCUSOGLGW-HNNXBMFYSA-N 0 1 393.329 3.756 20 10 GHCDMN COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000732180598 862125383 /nfs/dbraw/zinc/12/53/83/862125383.db2.gz AQDLTAKIODOBQG-UHFFFAOYSA-N 0 1 386.398 3.784 20 10 GHCDMN COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000732180598 862125390 /nfs/dbraw/zinc/12/53/90/862125390.db2.gz AQDLTAKIODOBQG-UHFFFAOYSA-N 0 1 386.398 3.784 20 10 GHCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2N(C)C)C1 ZINC000435527158 850614066 /nfs/dbraw/zinc/61/40/66/850614066.db2.gz KRAQVNFGABCFSV-UHFFFAOYSA-N 0 1 391.519 3.508 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2N(C)C)C1 ZINC000435527158 850614073 /nfs/dbraw/zinc/61/40/73/850614073.db2.gz KRAQVNFGABCFSV-UHFFFAOYSA-N 0 1 391.519 3.508 20 10 GHCDMN CCN(Cc1ccccn1)C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435815141 850872971 /nfs/dbraw/zinc/87/29/71/850872971.db2.gz CQTWYTBBHQJRDA-UHFFFAOYSA-N 0 1 390.531 3.852 20 10 GHCDMN COc1ccc(CNCc2cc(F)c(F)cc2Br)c(O)c1OC ZINC000894427174 851293062 /nfs/dbraw/zinc/29/30/62/851293062.db2.gz GWGKHHLPNYAZDW-UHFFFAOYSA-N 0 1 388.208 3.740 20 10 GHCDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC000912110589 852083236 /nfs/dbraw/zinc/08/32/36/852083236.db2.gz PRXOTMQSQQTQKH-DYVFJYSZSA-N 0 1 394.441 3.733 20 10 GHCDMN CCc1cc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c(C(C)(C)C)c1 ZINC000732800283 862500892 /nfs/dbraw/zinc/50/08/92/862500892.db2.gz ZJPSTDQIGWXYIH-INIZCTEOSA-N 0 1 386.458 3.847 20 10 GHCDMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706822211 857927063 /nfs/dbraw/zinc/92/70/63/857927063.db2.gz ZEKOJPSASDFJFM-QWHCGFSZSA-N 0 1 399.329 3.938 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000761214446 859304864 /nfs/dbraw/zinc/30/48/64/859304864.db2.gz BOGPOMVNBKHXEM-OLZOCXBDSA-N 0 1 384.904 3.789 20 10 GHCDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000765406982 859957460 /nfs/dbraw/zinc/95/74/60/859957460.db2.gz YMKFLSXONWUNLL-OAHLLOKOSA-N 0 1 395.594 3.695 20 10 GHCDMN COc1ccc(N2CCC(N[C@@H](C)c3nnn(-c4ccccc4)c3C)CC2)cc1 ZINC000765638477 860373646 /nfs/dbraw/zinc/37/36/46/860373646.db2.gz NLGGIBFPAQGQFE-KRWDZBQOSA-N 0 1 391.519 3.904 20 10 GHCDMN CCN1CCN(c2ccc(CNc3ncnc4cccc(F)c43)cc2F)CC1 ZINC000730108969 860874605 /nfs/dbraw/zinc/87/46/05/860874605.db2.gz XDOMJVZXONSBQI-UHFFFAOYSA-N 0 1 383.446 3.662 20 10 GHCDMN C[N@@H+](CCc1ccccc1F)Cc1cccc(I)c1[O-] ZINC001237789683 864349224 /nfs/dbraw/zinc/34/92/24/864349224.db2.gz UCCRLVCPTHMVLR-UHFFFAOYSA-N 0 1 385.220 3.810 20 10 GHCDMN CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000192842792 864570779 /nfs/dbraw/zinc/57/07/79/864570779.db2.gz HTUHIWNVJKKYPW-MRXNPFEDSA-N 0 1 383.330 3.842 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)CC1 ZINC000063824430 865442521 /nfs/dbraw/zinc/44/25/21/865442521.db2.gz XGGXTQDIJBRTOM-UVTDQMKNSA-N 0 1 384.473 3.583 20 10 GHCDMN Cc1nc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ccc1[N+](=O)[O-] ZINC000301627636 865465687 /nfs/dbraw/zinc/46/56/87/865465687.db2.gz BMDYHVROKRAKQE-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ccc1[N+](=O)[O-] ZINC000301627636 865465693 /nfs/dbraw/zinc/46/56/93/865465693.db2.gz BMDYHVROKRAKQE-HNNXBMFYSA-N 0 1 376.844 3.734 20 10 GHCDMN CCOc1ccc(N(C)CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000739922965 865829158 /nfs/dbraw/zinc/82/91/58/865829158.db2.gz SVWVBANJEIWFGF-UHFFFAOYSA-N 0 1 395.547 3.564 20 10 GHCDMN CCc1ccc([C@H](COC)NCc2cc(Br)cc(OC)c2O)o1 ZINC000174479681 865836057 /nfs/dbraw/zinc/83/60/57/865836057.db2.gz OQKVMEVZDKXIOJ-AWEZNQCLSA-N 0 1 384.270 3.796 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)NCCCC(C)(C)C)cc2F)CC1 ZINC000740063187 865840130 /nfs/dbraw/zinc/84/01/30/865840130.db2.gz SHFZFHTUEBVSOZ-UHFFFAOYSA-N 0 1 378.536 3.593 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(CC(C)C)C(C)C)cc2F)CC1 ZINC000741417047 866506461 /nfs/dbraw/zinc/50/64/61/866506461.db2.gz XYEAILLHFSIFEU-UHFFFAOYSA-N 0 1 378.536 3.544 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000741677973 866715873 /nfs/dbraw/zinc/71/58/73/866715873.db2.gz GIFUXKRJRDTQBS-HNNXBMFYSA-N 0 1 395.507 3.574 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(Cc2cccnc2)CC1 ZINC000183668228 867140686 /nfs/dbraw/zinc/14/06/86/867140686.db2.gz XNPTYRUGDIUVBL-UHFFFAOYSA-N 0 1 389.499 3.684 20 10 GHCDMN CN(C)c1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1F ZINC000742373200 867265835 /nfs/dbraw/zinc/26/58/35/867265835.db2.gz RMQATQWRSCUDDZ-KRWDZBQOSA-N 0 1 375.875 3.830 20 10 GHCDMN COc1cccc([C@@H](C)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000183697771 867289633 /nfs/dbraw/zinc/28/96/33/867289633.db2.gz RWPYQPDBDULISY-MRXNPFEDSA-N 0 1 386.492 3.604 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)CCCC3CCCC3)cc2F)CC1 ZINC000742645781 867430791 /nfs/dbraw/zinc/43/07/91/867430791.db2.gz ZONQZHCUXDGMAY-UHFFFAOYSA-N 0 1 375.532 3.944 20 10 GHCDMN Cc1ccc([C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)N2CCCC2)o1 ZINC000743579362 868284355 /nfs/dbraw/zinc/28/43/55/868284355.db2.gz QEZRCQCQKJQUTF-FQEVSTJZSA-N 0 1 397.519 3.809 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccccc1F ZINC000743871486 868467093 /nfs/dbraw/zinc/46/70/93/868467093.db2.gz DZJRZEGMRIRYQK-HNNXBMFYSA-N 0 1 398.272 3.556 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)COc1ccccc1F ZINC000743871486 868467098 /nfs/dbraw/zinc/46/70/98/868467098.db2.gz DZJRZEGMRIRYQK-HNNXBMFYSA-N 0 1 398.272 3.556 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])Cc1cccc2c1OCCO2 ZINC000743870839 868469694 /nfs/dbraw/zinc/46/96/94/868469694.db2.gz DJBDHTQJGDHOJZ-UHFFFAOYSA-N 0 1 378.266 3.948 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1cccc2c1OCCO2 ZINC000743870839 868469699 /nfs/dbraw/zinc/46/96/99/868469699.db2.gz DJBDHTQJGDHOJZ-UHFFFAOYSA-N 0 1 378.266 3.948 20 10 GHCDMN FC(F)(F)c1nc2[nH]cnc2c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000535254213 868473406 /nfs/dbraw/zinc/47/34/06/868473406.db2.gz DEOIRKDWQSMQIE-UHFFFAOYSA-N 0 1 385.353 3.542 20 10 GHCDMN Cc1ccc(O)c(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174632954 868740220 /nfs/dbraw/zinc/74/02/20/868740220.db2.gz VTQBVDYNDMEGPS-JOCHJYFZSA-N 0 1 381.497 3.983 20 10 GHCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1Cc2ccc(F)cc21 ZINC000793689002 882367452 /nfs/dbraw/zinc/36/74/52/882367452.db2.gz IFNITOYWONIPQA-MJGOQNOKSA-N 0 1 388.870 3.605 20 10 GHCDMN CN1CCCc2cc(CNC(=O)[C@H]3CCCCN3Cc3ccccc3)ccc21 ZINC000746181879 870092861 /nfs/dbraw/zinc/09/28/61/870092861.db2.gz IMSKTLUFSCGRJC-HSZRJFAPSA-N 0 1 377.532 3.740 20 10 GHCDMN O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(O)c([O-])c1Cl ZINC001193247243 870973004 /nfs/dbraw/zinc/97/30/04/870973004.db2.gz QLIQVLZVBDEVFE-PHZGNYQRSA-N 0 1 386.879 3.677 20 10 GHCDMN O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(O)c([O-])c1Cl ZINC001193247243 870973014 /nfs/dbraw/zinc/97/30/14/870973014.db2.gz QLIQVLZVBDEVFE-PHZGNYQRSA-N 0 1 386.879 3.677 20 10 GHCDMN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000775581831 870973257 /nfs/dbraw/zinc/97/32/57/870973257.db2.gz RKVIBCHZGHEQTD-XQQFMLRXSA-N 0 1 385.302 3.672 20 10 GHCDMN C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606011 871212705 /nfs/dbraw/zinc/21/27/05/871212705.db2.gz RGQMWTPQOZNGMH-NWDGAFQWSA-N 0 1 398.887 3.517 20 10 GHCDMN O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC001169744237 871817562 /nfs/dbraw/zinc/81/75/62/871817562.db2.gz IJHDRIWIVLPGHU-KRWDZBQOSA-N 0 1 389.293 3.549 20 10 GHCDMN COCc1[nH]nc2c1CN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C2 ZINC001195266673 872293770 /nfs/dbraw/zinc/29/37/70/872293770.db2.gz WOKUNLFSAXHNIR-QURGRASLSA-N 0 1 377.404 3.833 20 10 GHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000775657480 872390688 /nfs/dbraw/zinc/39/06/88/872390688.db2.gz BMIFSCNHKKRDCJ-AWEZNQCLSA-N 0 1 389.801 3.936 20 10 GHCDMN CC[C@@H]1COCCN1Cc1cc(Br)cc(Br)c1O ZINC000775656629 872391213 /nfs/dbraw/zinc/39/12/13/872391213.db2.gz XVOGFVPWQXQZMC-LLVKDONJSA-N 0 1 379.092 3.528 20 10 GHCDMN Cc1cc(Cl)cc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000775668140 872568214 /nfs/dbraw/zinc/56/82/14/872568214.db2.gz RQYMIBNINWMYQO-KRWDZBQOSA-N 0 1 377.847 3.889 20 10 GHCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1[O-] ZINC001195901932 872722691 /nfs/dbraw/zinc/72/26/91/872722691.db2.gz DNFDIXYOYMKHJE-FQEVSTJZSA-N 0 1 386.923 3.997 20 10 GHCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1[O-] ZINC001195901932 872722705 /nfs/dbraw/zinc/72/27/05/872722705.db2.gz DNFDIXYOYMKHJE-FQEVSTJZSA-N 0 1 386.923 3.997 20 10 GHCDMN CN(Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000768208578 873144190 /nfs/dbraw/zinc/14/41/90/873144190.db2.gz UIJZQKNRVKTYKQ-UHFFFAOYSA-N 0 1 396.922 3.994 20 10 GHCDMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC2)c1 ZINC000775734736 873293561 /nfs/dbraw/zinc/29/35/61/873293561.db2.gz YPMBTIZQQBGKTO-UHFFFAOYSA-N 0 1 394.874 3.914 20 10 GHCDMN CCOC(=O)CC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768424520 873296861 /nfs/dbraw/zinc/29/68/61/873296861.db2.gz RFSQTESHCMUAOW-UHFFFAOYSA-N 0 1 389.496 3.750 20 10 GHCDMN COc1cccc(O)c1CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000768525514 873360083 /nfs/dbraw/zinc/36/00/83/873360083.db2.gz FWAOPUMRDGHIOT-UHFFFAOYSA-N 0 1 386.492 3.928 20 10 GHCDMN CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000769380363 874008941 /nfs/dbraw/zinc/00/89/41/874008941.db2.gz UZCJISFWGISUEM-KRWDZBQOSA-N 0 1 392.293 3.761 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2nccc(C(F)(F)F)n2)c1[O-] ZINC001198516842 874476840 /nfs/dbraw/zinc/47/68/40/874476840.db2.gz DPMGRYLOSPHWMC-UHFFFAOYSA-N 0 1 387.789 3.732 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2nccc(C(F)(F)F)n2)c1[O-] ZINC001198516842 874476844 /nfs/dbraw/zinc/47/68/44/874476844.db2.gz DPMGRYLOSPHWMC-UHFFFAOYSA-N 0 1 387.789 3.732 20 10 GHCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cncn1-c1ccncc1 ZINC001198561006 874480572 /nfs/dbraw/zinc/48/05/72/874480572.db2.gz JVYPILWUASBUDQ-HXUWFJFHSA-N 0 1 376.460 3.643 20 10 GHCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770330791 874576599 /nfs/dbraw/zinc/57/65/99/874576599.db2.gz AMCZKKIJVSJZJK-GFCCVEGCSA-N 0 1 384.860 3.898 20 10 GHCDMN COc1cccc(-c2n[nH]cc2CN2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000770307951 874587970 /nfs/dbraw/zinc/58/79/70/874587970.db2.gz VQRYURQINLAMPE-UHFFFAOYSA-N 0 1 396.466 3.555 20 10 GHCDMN C[C@@H]1CN(c2ccc(CNCc3cccc(Cl)c3N)cc2F)C[C@@H](C)O1 ZINC001199412305 874975334 /nfs/dbraw/zinc/97/53/34/874975334.db2.gz GDFSYKCDGSTRLH-ZIAGYGMSSA-N 0 1 377.891 3.965 20 10 GHCDMN O=C(CCc1ccccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771056611 875012256 /nfs/dbraw/zinc/01/22/56/875012256.db2.gz FLJQYCZTDIPZFV-SFHVURJKSA-N 0 1 390.886 3.898 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000858158346 882895109 /nfs/dbraw/zinc/89/51/09/882895109.db2.gz HEQOECJPLBAROY-QMTHXVAHSA-N 0 1 382.220 3.728 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000771866593 875503701 /nfs/dbraw/zinc/50/37/01/875503701.db2.gz FSJVMGWRDDIELX-KRWDZBQOSA-N 0 1 383.492 3.914 20 10 GHCDMN CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000771866593 875503717 /nfs/dbraw/zinc/50/37/17/875503717.db2.gz FSJVMGWRDDIELX-KRWDZBQOSA-N 0 1 383.492 3.914 20 10 GHCDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3nnn(-c4ccc(C)cc4)c3C)C2)cc1 ZINC000850487547 876962010 /nfs/dbraw/zinc/96/20/10/876962010.db2.gz IDOOGRPBXYYCPP-IEBWSBKVSA-N 0 1 391.519 3.822 20 10 GHCDMN C[C@@H](NCc1cccnc1N1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850501982 876976607 /nfs/dbraw/zinc/97/66/07/876976607.db2.gz QQPAHTDDHDPRQX-QGZVFWFLSA-N 0 1 384.499 3.508 20 10 GHCDMN Cc1cc(C(=O)CN2CC[C@@H](Cc3cnn(C)c3)C2)c(C)n1-c1ccccc1 ZINC000746678780 877374290 /nfs/dbraw/zinc/37/42/90/877374290.db2.gz YTJVSUZUVQJPPL-IBGZPJMESA-N 0 1 376.504 3.575 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC[C@@H]2CC2(F)F)C1 ZINC000851383328 877638546 /nfs/dbraw/zinc/63/85/46/877638546.db2.gz AXEICCUFDKRVSZ-OAHLLOKOSA-N 0 1 376.447 3.996 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795672132 912292296 /nfs/dbraw/zinc/29/22/96/912292296.db2.gz ZFDJZLRFABXKKW-AWEZNQCLSA-N 0 1 380.410 3.826 20 10 GHCDMN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795672132 912292328 /nfs/dbraw/zinc/29/23/28/912292328.db2.gz ZFDJZLRFABXKKW-AWEZNQCLSA-N 0 1 380.410 3.826 20 10 GHCDMN Cn1ncc(C2CCC2)c1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852608585 878466648 /nfs/dbraw/zinc/46/66/48/878466648.db2.gz LITXXRLZFFAKLM-UHFFFAOYSA-N 0 1 383.279 3.699 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Br)ccc1[O-] ZINC000858536684 883183461 /nfs/dbraw/zinc/18/34/61/883183461.db2.gz KAOGOOLVUJKHFS-DAYGRLMNSA-N 0 1 393.281 3.826 20 10 GHCDMN O=S(=O)(Cc1cccc2cccnc21)NCc1cc(Cl)cc(Cl)c1O ZINC000805134542 883615489 /nfs/dbraw/zinc/61/54/89/883615489.db2.gz CCISRZUMQSVINC-UHFFFAOYSA-N 0 1 397.283 3.867 20 10 GHCDMN O=S(=O)(Cc1c(F)cccc1F)NCc1cc(Cl)cc(Cl)c1O ZINC000805135325 883616829 /nfs/dbraw/zinc/61/68/29/883616829.db2.gz JNNMPQPDVOQVFQ-UHFFFAOYSA-N 0 1 382.215 3.597 20 10 GHCDMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805174723 883656316 /nfs/dbraw/zinc/65/63/16/883656316.db2.gz KQXFECGLVKDMCO-ORPWPGRKSA-N 0 1 393.336 3.578 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000805229808 883676390 /nfs/dbraw/zinc/67/63/90/883676390.db2.gz YDPCUWQJZKMXDU-MAZHCROVSA-N 0 1 385.291 3.846 20 10 GHCDMN C[C@@](O)(CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000805316464 883750302 /nfs/dbraw/zinc/75/03/02/883750302.db2.gz MXMABTXOSQADPX-GOSISDBHSA-N 0 1 383.275 3.796 20 10 GHCDMN Cc1cnccc1COC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 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O=[S@@](Cc1cccc(NCc2ccc(F)c(F)c2O)c1)C1CCOCC1 ZINC000876862183 893365549 /nfs/dbraw/zinc/36/55/49/893365549.db2.gz JVAMSRFJLXGHEU-SANMLTNESA-N 0 1 381.444 3.710 20 10 GHCDMN CC1(c2ccc(C[NH2+]Cc3ccc(Br)cc3[O-])cc2)OCCO1 ZINC000877667119 893753193 /nfs/dbraw/zinc/75/31/93/893753193.db2.gz DHSCDWNAPOWKNC-UHFFFAOYSA-N 0 1 378.266 3.664 20 10 GHCDMN COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1SC ZINC000774864585 913848305 /nfs/dbraw/zinc/84/83/05/913848305.db2.gz SGWGDGPTGIWOCA-UHFFFAOYSA-N 0 1 378.450 3.672 20 10 GHCDMN COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1SC ZINC000774864585 913848326 /nfs/dbraw/zinc/84/83/26/913848326.db2.gz SGWGDGPTGIWOCA-UHFFFAOYSA-N 0 1 378.450 3.672 20 10 GHCDMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000816489390 894855818 /nfs/dbraw/zinc/85/58/18/894855818.db2.gz TUUJSTBZTLOYNI-CYBMUJFWSA-N 0 1 377.847 3.739 20 10 GHCDMN C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000816624936 894954833 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NC(=O)C1CCN(c2ccc(CNCc3ccsc3C(F)(F)F)cc2)CC1 ZINC000886324795 900932688 /nfs/dbraw/zinc/93/26/88/900932688.db2.gz HLKZWOJVBYSQDB-UHFFFAOYSA-N 0 1 397.466 3.758 20 10 GHCDMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093889125 901574992 /nfs/dbraw/zinc/57/49/92/901574992.db2.gz QIMVQQZCZGWPFA-FTJNGKRUSA-N 0 1 382.869 3.884 20 10 GHCDMN CCC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001144306548 901685874 /nfs/dbraw/zinc/68/58/74/901685874.db2.gz GNVBAWSBHVHOAV-UHFFFAOYSA-N 0 1 387.293 3.517 20 10 GHCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639298 914610756 /nfs/dbraw/zinc/61/07/56/914610756.db2.gz AUUXONOKCSQQQF-KBXCAEBGSA-N 0 1 384.314 3.562 20 10 GHCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1[O-])C2 ZINC001203639298 914610769 /nfs/dbraw/zinc/61/07/69/914610769.db2.gz AUUXONOKCSQQQF-KBXCAEBGSA-N 0 1 384.314 3.562 20 10 GHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151515666 904147367 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C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(Br)ccc1[O-] ZINC000186525705 907937496 /nfs/dbraw/zinc/93/74/96/907937496.db2.gz BVNCRWADAKAFGT-LBPRGKRZSA-N 0 1 391.265 3.962 20 10 GHCDMN Cc1cc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)c(C)n1C1CC1 ZINC000194754332 908920628 /nfs/dbraw/zinc/92/06/28/908920628.db2.gz INXMMMGJPZJYBE-GZTJUZNOSA-N 0 1 375.563 3.735 20 10 GHCDMN OCCCN(Cc1cc(Cl)cc(Br)c1O)CC(F)(F)F ZINC001180208616 910010833 /nfs/dbraw/zinc/01/08/33/910010833.db2.gz OAARHIYCGDXJNJ-UHFFFAOYSA-N 0 1 376.600 3.555 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000246439351 910294585 /nfs/dbraw/zinc/29/45/85/910294585.db2.gz DCQQLQGMJHGAHI-AZUAARDMSA-N 0 1 375.415 3.961 20 10 GHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000246439351 910294590 /nfs/dbraw/zinc/29/45/90/910294590.db2.gz DCQQLQGMJHGAHI-AZUAARDMSA-N 0 1 375.415 3.961 20 10 GHCDMN CCN(C)c1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000773887586 910445935 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[O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001182712930 911995525 /nfs/dbraw/zinc/99/55/25/911995525.db2.gz DEDWGGMDMVEEOH-VQTJNVASSA-N 0 1 390.886 3.660 20 10 GHCDMN CCn1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)nc2cc(F)ccc21 ZINC000775253642 916646114 /nfs/dbraw/zinc/64/61/14/916646114.db2.gz AIPDUFIECGFEIR-INIZCTEOSA-N 0 1 382.483 3.883 20 10 GHCDMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Br)c2)c1 ZINC001189605889 916770334 /nfs/dbraw/zinc/77/03/34/916770334.db2.gz FSNDHRPHZWVFNV-UHFFFAOYSA-N 0 1 392.658 3.618 20 10 GHCDMN Cc1cc(Br)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000361986432 917014707 /nfs/dbraw/zinc/01/47/07/917014707.db2.gz OJSLDVIUHUDXMY-GFCCVEGCSA-N 0 1 379.302 3.632 20 10 GHCDMN O=C(NCC1CCCC1)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001275845505 918552375 /nfs/dbraw/zinc/55/23/75/918552375.db2.gz XXIGTKJKTIDLOQ-KRWDZBQOSA-N 0 1 376.928 3.954 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000800648719 920336821 /nfs/dbraw/zinc/33/68/21/920336821.db2.gz FXPTXUOOYCLWSI-NRFANRHFSA-N 0 1 395.547 3.587 20 10 GHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000800709671 920381539 /nfs/dbraw/zinc/38/15/39/920381539.db2.gz KGJQOFIUDCXTHL-QGZVFWFLSA-N 0 1 382.508 3.701 20 10 GHCDMN C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056349 923783420 /nfs/dbraw/zinc/78/34/20/923783420.db2.gz UJFCSZCNYQEBFQ-SFHVURJKSA-N 0 1 383.511 3.953 20 10 GHCDMN CN(C)c1ccc(CN(C(=O)NCCN(C)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000748975744 923965863 /nfs/dbraw/zinc/96/58/63/923965863.db2.gz ARQBWKYDPCWGNP-UHFFFAOYSA-N 0 1 398.526 3.698 20 10 GHCDMN CC[C@H](C)N1CC[C@@]2(CCCN2Cc2c(O)cccc2Br)C1=O ZINC001276079185 925268486 /nfs/dbraw/zinc/26/84/86/925268486.db2.gz XUVOYPOWQDZEAP-UGSOOPFHSA-N 0 1 381.314 3.520 20 10 GHCDMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)s1 ZINC000827951404 926375910 /nfs/dbraw/zinc/37/59/10/926375910.db2.gz YNUSCNBGVPINQF-JTQLQIEISA-N 0 1 384.860 3.807 20 10 GHCDMN Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000725851020 926468946 /nfs/dbraw/zinc/46/89/46/926468946.db2.gz LDWKDUNOGPDABY-UHFFFAOYSA-N 0 1 383.673 3.845 20 10 GHCDMN CCCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000726876384 926902751 /nfs/dbraw/zinc/90/27/51/926902751.db2.gz QQKLWMFZLSHEEK-JXAWBTAJSA-N 0 1 380.444 3.726 20 10 GHCDMN COc1ccc(-n2c(C)cc(C(=O)N3CCC(c4cnc[nH]4)CC3)c2C)cc1 ZINC000751426526 928187462 /nfs/dbraw/zinc/18/74/62/928187462.db2.gz ZPIKKKGRRQSWDV-UHFFFAOYSA-N 0 1 378.476 3.846 20 10 GHCDMN Cc1cc(CCNC(=O)N2CCC(c3cnc[nH]3)CC2)c(C)n1-c1ccccc1 ZINC000751782366 928382724 /nfs/dbraw/zinc/38/27/24/928382724.db2.gz WTJQIDCCBZTMDG-UHFFFAOYSA-N 0 1 391.519 3.949 20 10 GHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CCN(c2ccccn2)CC1 ZINC000753527203 929389210 /nfs/dbraw/zinc/38/92/10/929389210.db2.gz GRRMTNVOMROOBH-UHFFFAOYSA-N 0 1 375.472 3.688 20 10 GHCDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000757867510 929831707 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399.539 3.768 20 10 GHCDMN OC1CCN(c2ccc(CN[C@H]3CCc4c3nccc4Cl)cc2F)CC1 ZINC000924762112 931528124 /nfs/dbraw/zinc/52/81/24/931528124.db2.gz XVHRBPGKJZHAND-SFHVURJKSA-N 0 1 375.875 3.612 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H]3[C@H](c4ccccc4)[C@@H]3C)cc2F)CC1 ZINC000797448545 932289074 /nfs/dbraw/zinc/28/90/74/932289074.db2.gz UMPASFYXSSAPNU-PDIWNELESA-N 0 1 395.522 3.634 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(Br)ccc1[O-] ZINC000798001514 932485478 /nfs/dbraw/zinc/48/54/78/932485478.db2.gz QOTIGNZGMBSBIF-FMKPAKJESA-N 0 1 395.341 3.987 20 10 GHCDMN CN1CCN(c2ccccc2C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC001116058636 933311042 /nfs/dbraw/zinc/31/10/42/933311042.db2.gz PCHPLIGKJZPKKF-UHFFFAOYSA-N 0 1 378.520 3.681 20 10 GHCDMN COc1ccc(N2CCN(CCCNC(=O)C3CCC(C)(C)CC3)CC2)cc1 ZINC001124584914 935420258 /nfs/dbraw/zinc/42/02/58/935420258.db2.gz HRIDUUFLAIBUKG-UHFFFAOYSA-N 0 1 387.568 3.540 20 10 GHCDMN Cc1cc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)ccc1N(C)C ZINC001139670543 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ZKPPUKKLEQUXPM-UHFFFAOYSA-N 0 1 384.407 3.766 20 10 GHCDMN COc1ncc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c2ccccc21 ZINC001599735066 991763019 /nfs/dbraw/zinc/76/30/19/991763019.db2.gz PSQGCVJSCRIXPP-UHFFFAOYSA-N 0 1 386.835 3.689 20 10 GHCDMN COC(=O)c1sc(C(=O)OC)c(O[C@H]2CC[C@H](C(F)(F)F)CC2)c1O ZINC001227621448 1032489173 /nfs/dbraw/zinc/48/91/73/1032489173.db2.gz DUADLOZRMFLSSP-ZKCHVHJHSA-N 0 1 382.356 3.527 20 10 GHCDMN C[C@@H]1COCC[C@@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660167 1032508327 /nfs/dbraw/zinc/50/83/27/1032508327.db2.gz VYYZUBLDGPZFFO-OTYXRUKQSA-N 0 1 398.367 3.613 20 10 GHCDMN O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277232658 1032520961 /nfs/dbraw/zinc/52/09/61/1032520961.db2.gz WPFPKPQFDPQPQC-INIZCTEOSA-N 0 1 376.806 3.565 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)N[C@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC001228063738 1032760078 /nfs/dbraw/zinc/76/00/78/1032760078.db2.gz LAECSMUAGHWOND-HSZRJFAPSA-N 0 1 392.547 3.779 20 10 GHCDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(O)c3c1C(=O)c1ccccc1C3=O)C2 ZINC001228217234 1032846237 /nfs/dbraw/zinc/84/62/37/1032846237.db2.gz VAEBPVXPKVCMIZ-ZSHCYNCHSA-N 0 1 391.467 3.950 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc(C)c4cc[nH]c4n3)CC2)cc1 ZINC001156261013 1032947834 /nfs/dbraw/zinc/94/78/34/1032947834.db2.gz PJWHGLYBGGQKNW-UHFFFAOYSA-N 0 1 379.508 3.504 20 10 GHCDMN COc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000091772077 1021084115 /nfs/dbraw/zinc/08/41/15/1021084115.db2.gz LEGNDICKTQBJBU-HSZRJFAPSA-N 0 1 396.531 3.713 20 10 GHCDMN COC(=O)c1ccc(Cl)c(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000795898170 1021106504 /nfs/dbraw/zinc/10/65/04/1021106504.db2.gz CSJZWJVYCDNTNK-UHFFFAOYSA-N 0 1 390.936 3.970 20 10 GHCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001140467126 1021762493 /nfs/dbraw/zinc/76/24/93/1021762493.db2.gz MHMHOLSCELHPEA-MRXNPFEDSA-N 0 1 392.858 3.782 20 10 GHCDMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140582857 1022003305 /nfs/dbraw/zinc/00/33/05/1022003305.db2.gz NTCBSYHUUORQKM-HXUWFJFHSA-N 0 1 382.451 3.893 20 10 GHCDMN Cc1c[nH]c(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)c1C ZINC001140867317 1022741392 /nfs/dbraw/zinc/74/13/92/1022741392.db2.gz ZNCJGNCGBYWYSG-UHFFFAOYSA-N 0 1 376.504 3.928 20 10 GHCDMN O=C([O-])c1ccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC001140948634 1022965266 /nfs/dbraw/zinc/96/52/66/1022965266.db2.gz RSHHRLCDVLLEPI-UHFFFAOYSA-N 0 1 392.455 3.879 20 10 GHCDMN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(Br)cc(F)c1O ZINC001204807421 1033099870 /nfs/dbraw/zinc/09/98/70/1033099870.db2.gz KQMANRUIZKYWDM-HNNXBMFYSA-N 0 1 382.229 3.640 20 10 GHCDMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(F)cc1F ZINC000755981259 1023463704 /nfs/dbraw/zinc/46/37/04/1023463704.db2.gz ANCCHMLOGXSPJQ-UHFFFAOYSA-N 0 1 399.415 3.690 20 10 GHCDMN CCc1ccc(CN(C)C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000756337884 1023595011 /nfs/dbraw/zinc/59/50/11/1023595011.db2.gz YJURAMWIYZKJHM-QFIPXVFZSA-N 0 1 396.531 3.594 20 10 GHCDMN C[C@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756403327 1023629844 /nfs/dbraw/zinc/62/98/44/1023629844.db2.gz XVOYBUDOVZJQSU-KRWDZBQOSA-N 0 1 389.490 3.529 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccc4c(cccc4[N+](=O)[O-])n3)cc2)CC1 ZINC001156656490 1033159724 /nfs/dbraw/zinc/15/97/24/1033159724.db2.gz WHANTZRXMHUAKP-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN CN1CCN(c2ccc(CNc3ncc([N+](=O)[O-])c4ccccc43)cc2)CC1 ZINC001156656057 1033159802 /nfs/dbraw/zinc/15/98/02/1033159802.db2.gz NJHQCEKRQPUCFK-UHFFFAOYSA-N 0 1 377.448 3.507 20 10 GHCDMN C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(Br)cc1[O-] ZINC000756708897 1023783345 /nfs/dbraw/zinc/78/33/45/1023783345.db2.gz STJJPHIBUXSHAG-LBPRGKRZSA-N 0 1 395.272 3.765 20 10 GHCDMN CCc1nc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)c(Cl)n1 ZINC001156658409 1033161791 /nfs/dbraw/zinc/16/17/91/1033161791.db2.gz BQDOHXGQXCCFDV-UHFFFAOYSA-N 0 1 380.323 3.710 20 10 GHCDMN COc1cc(C)c(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1C ZINC001204942400 1033178924 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Cc1ncsc1CN1CC2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697825 1047920788 /nfs/dbraw/zinc/92/07/88/1047920788.db2.gz WWECIKYQZVKDHQ-UHFFFAOYSA-N 0 1 379.476 3.533 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000728696743 1048243844 /nfs/dbraw/zinc/24/38/44/1048243844.db2.gz BSGORHHMWKZIRP-ATVHPVEESA-N 0 1 391.408 3.785 20 10 GHCDMN CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1O ZINC000750875764 1048733489 /nfs/dbraw/zinc/73/34/89/1048733489.db2.gz XBURDCPKFGZTTK-UHFFFAOYSA-N 0 1 377.828 3.805 20 10 GHCDMN CCCn1nc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C ZINC001308207011 1049912461 /nfs/dbraw/zinc/91/24/61/1049912461.db2.gz FSDZIJHAZVIECH-HZPDHXFCSA-N 0 1 388.531 3.952 20 10 GHCDMN CN1CCN(c2ccc(CNCC(F)(F)c3ccc(Cl)cc3)cc2)CC1 ZINC001308396705 1049966364 /nfs/dbraw/zinc/96/63/64/1049966364.db2.gz CRNVDCKDKAUGPF-UHFFFAOYSA-N 0 1 379.882 3.973 20 10 GHCDMN COc1cc(Cl)cc(CN2CCCC[C@H]2COC(=O)N2CCCC2)c1O ZINC001308756938 1050083932 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O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001331294184 1051239827 /nfs/dbraw/zinc/23/98/27/1051239827.db2.gz ADSFHOCKIFEXLU-AWEZNQCLSA-N 0 1 390.281 3.551 20 10 GHCDMN C[N@@H+](CCO)Cc1cc(NCc2c(O)cccc2Br)ccc1Cl ZINC001334907996 1052006267 /nfs/dbraw/zinc/00/62/67/1052006267.db2.gz KMFRFYKQBUECMF-UHFFFAOYSA-N 0 1 399.716 3.844 20 10 GHCDMN CN(CCO)Cc1cc(NCc2c(O)cccc2Br)ccc1Cl ZINC001334907996 1052006274 /nfs/dbraw/zinc/00/62/74/1052006274.db2.gz KMFRFYKQBUECMF-UHFFFAOYSA-N 0 1 399.716 3.844 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-n2cccn2)c(F)c1 ZINC001324012850 1057055299 /nfs/dbraw/zinc/05/52/99/1057055299.db2.gz NPMYFESXRWFFKJ-UHFFFAOYSA-N 0 1 380.206 3.954 20 10 GHCDMN COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2ccccc2OC)c1O ZINC000848534803 1057156498 /nfs/dbraw/zinc/15/64/98/1057156498.db2.gz VJOPUHJFQYUETD-ABAIWWIYSA-N 0 1 396.281 3.556 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000848563616 1057181643 /nfs/dbraw/zinc/18/16/43/1057181643.db2.gz 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ZINC000775675819 1061797516 /nfs/dbraw/zinc/79/75/16/1061797516.db2.gz DWPITBXGLDJYIZ-MRVPVSSYSA-N 0 1 381.133 3.855 20 10 GHCDMN C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])CCS1 ZINC000775675819 1061797505 /nfs/dbraw/zinc/79/75/05/1061797505.db2.gz DWPITBXGLDJYIZ-MRVPVSSYSA-N 0 1 381.133 3.855 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)cc2F)CC1 ZINC001435073791 1062272789 /nfs/dbraw/zinc/27/27/89/1062272789.db2.gz GZMZRPBHUCENQN-SJORKVTESA-N 0 1 377.548 3.902 20 10 GHCDMN CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001459570184 1064131170 /nfs/dbraw/zinc/13/11/70/1064131170.db2.gz IVRRUVAVNWYHLB-UHFFFAOYSA-N 0 1 395.253 3.964 20 10 GHCDMN CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC001459570184 1064131175 /nfs/dbraw/zinc/13/11/75/1064131175.db2.gz IVRRUVAVNWYHLB-UHFFFAOYSA-N 0 1 395.253 3.964 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(F)c4ccccc34)cc2)CC1 ZINC001438897406 1064135908 /nfs/dbraw/zinc/13/59/08/1064135908.db2.gz DMYBNQGRVIABKT-UHFFFAOYSA-N 0 1 377.463 3.661 20 10 GHCDMN Cc1cccc(Cl)c1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001200203022 1065571588 /nfs/dbraw/zinc/57/15/88/1065571588.db2.gz XGGCWSGGACYIGE-UHFFFAOYSA-N 0 1 388.968 3.887 20 10 GHCDMN C/C(=C\c1cccnc1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000847590835 1065702071 /nfs/dbraw/zinc/70/20/71/1065702071.db2.gz IGPGPXLXKMNLKG-XATQLNLPSA-N 0 1 385.895 3.625 20 10 GHCDMN C/C(=C\c1cccnc1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590835 1065702083 /nfs/dbraw/zinc/70/20/83/1065702083.db2.gz IGPGPXLXKMNLKG-XATQLNLPSA-N 0 1 385.895 3.625 20 10 GHCDMN C/C(=C\c1cccnc1)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000847590835 1065702095 /nfs/dbraw/zinc/70/20/95/1065702095.db2.gz IGPGPXLXKMNLKG-XATQLNLPSA-N 0 1 385.895 3.625 20 10 GHCDMN COc1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1F ZINC001200473217 1066316894 /nfs/dbraw/zinc/31/68/94/1066316894.db2.gz RVSBOIOGJINBPJ-UHFFFAOYSA-N 0 1 385.416 3.866 20 10 GHCDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cccs1 ZINC001467582296 1067370644 /nfs/dbraw/zinc/37/06/44/1067370644.db2.gz KDXRODMIUGKDGD-IBGZPJMESA-N 0 1 386.565 3.793 20 10 GHCDMN O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1c(F)ccc(O)c1O ZINC001472492853 1073511092 /nfs/dbraw/zinc/51/10/92/1073511092.db2.gz XRZXXFULBYBCSV-UHFFFAOYSA-N 0 1 397.358 3.797 20 10 GHCDMN O=C(Nc1ccc2cccc(Br)c2n1)c1c(F)ccc(O)c1O ZINC001472531796 1073534970 /nfs/dbraw/zinc/53/49/70/1073534970.db2.gz WRHKHWWEQXZADS-UHFFFAOYSA-N 0 1 377.169 3.800 20 10 GHCDMN Cc1cc(Br)c(O)c(CNc2ccccc2N2CCN(C)CC2)c1 ZINC001474099991 1074263919 /nfs/dbraw/zinc/26/39/19/1074263919.db2.gz NOPIUSDQYCUGLE-UHFFFAOYSA-N 0 1 390.325 3.827 20 10 GHCDMN COC(=O)c1c(CN2CCS[C@@H]3CCCC[C@@H]32)c2cc(F)ccc2n1C ZINC001474343317 1074353533 /nfs/dbraw/zinc/35/35/33/1074353533.db2.gz MXEBYZVDRASPOU-ZWKOTPCHSA-N 0 1 376.497 3.964 20 10 GHCDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001474355848 1074360404 /nfs/dbraw/zinc/36/04/04/1074360404.db2.gz PFQKWWAIGFUMMI-LBPRGKRZSA-N 0 1 388.277 3.849 20 10 GHCDMN COc1cc(CN2CCN(c3nccc(C(C)C)n3)CC2)c(O)c(C(C)(C)C)c1 ZINC001474416390 1074396663 /nfs/dbraw/zinc/39/66/63/1074396663.db2.gz BYCRAZJCGXZWTC-UHFFFAOYSA-N 0 1 398.551 3.934 20 10 GHCDMN COc1ccccc1N1CCC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001474747847 1074543816 /nfs/dbraw/zinc/54/38/16/1074543816.db2.gz JXEAKWPHERRHNP-UHFFFAOYSA-N 0 1 391.309 3.876 20 10 GHCDMN COc1ccccc1N1CCC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001474747847 1074543821 /nfs/dbraw/zinc/54/38/21/1074543821.db2.gz JXEAKWPHERRHNP-UHFFFAOYSA-N 0 1 391.309 3.876 20 10 GHCDMN CN1CCN(C)CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC001475821562 1075028152 /nfs/dbraw/zinc/02/81/52/1075028152.db2.gz SBNJMODVDCYQKU-UHFFFAOYSA-N 0 1 380.496 3.813 20 10 GHCDMN Cc1ccc2c(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cc(=O)oc2c1 ZINC000738663763 600142744 /nfs/dbraw/zinc/14/27/44/600142744.db2.gz CRONQLIFNJYWFZ-UHFFFAOYSA-N 0 1 387.819 3.547 20 10 GHCDMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830722603 600828145 /nfs/dbraw/zinc/82/81/45/600828145.db2.gz FUPZXZJVBNMNSN-RQMBKDMJSA-N 0 1 395.459 3.651 20 10 GHCDMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(N2CCCCC2)cc1 ZINC000274809358 835564455 /nfs/dbraw/zinc/56/44/55/835564455.db2.gz UQFNETRRUVDNDN-LJQANCHMSA-N 0 1 380.536 3.759 20 10 GHCDMN Oc1ccccc1CN(Cc1cnn(Cc2ccccc2)c1)C[C@H]1CCCO1 ZINC000179443581 835719550 /nfs/dbraw/zinc/71/95/50/835719550.db2.gz QNWOHUWRBGOCNM-JOCHJYFZSA-N 0 1 377.488 3.818 20 10 GHCDMN CN1CCN(c2ccc(CNc3nc(Cl)cc(C(F)(F)F)n3)cc2)CC1 ZINC001167422880 839889277 /nfs/dbraw/zinc/88/92/77/839889277.db2.gz FVOPWXUMPCNHFB-UHFFFAOYSA-N 0 1 385.821 3.513 20 10 GHCDMN CN1CCN(c2ccc(CNc3ccnc4[nH]cc(C(F)(F)F)c43)cc2)CC1 ZINC001167434085 840166391 /nfs/dbraw/zinc/16/63/91/840166391.db2.gz ATNPYOMHDMBDCF-UHFFFAOYSA-N 0 1 389.425 3.946 20 10 GHCDMN CN1CCN(c2ccc(CNc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 ZINC001167434330 840172609 /nfs/dbraw/zinc/17/26/09/840172609.db2.gz JIEDNFZADGIHOW-UHFFFAOYSA-N 0 1 394.397 3.978 20 10 GHCDMN O=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1C(F)(F)F ZINC000194107666 840739363 /nfs/dbraw/zinc/73/93/63/840739363.db2.gz MFHRAGYYXDLVCE-UHFFFAOYSA-N 0 1 396.184 3.974 20 10 GHCDMN CCN(CC)[C@@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccco1 ZINC000471776365 842474216 /nfs/dbraw/zinc/47/42/16/842474216.db2.gz XCHMZLIDQSFPFK-FQEVSTJZSA-N 0 1 382.508 3.962 20 10 GHCDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141372888 843269590 /nfs/dbraw/zinc/26/95/90/843269590.db2.gz BOMXRRGSMWPSHB-OAHLLOKOSA-N 0 1 376.678 3.583 20 10 GHCDMN CN(Cc1ccccc1O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000065215984 844963680 /nfs/dbraw/zinc/96/36/80/844963680.db2.gz PMJLZNPDNPINFU-UHFFFAOYSA-N 0 1 386.249 3.817 20 10 GHCDMN O=C(Nc1ccccc1F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000731851839 861907449 /nfs/dbraw/zinc/90/74/49/861907449.db2.gz GYZSMWFZYRVMDZ-HNNXBMFYSA-N 0 1 377.847 3.971 20 10 GHCDMN CCCn1nccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000514649358 850102136 /nfs/dbraw/zinc/10/21/36/850102136.db2.gz RPNOKGWPICHTOY-UHFFFAOYSA-N 0 1 379.508 3.653 20 10 GHCDMN CC(C)Cn1nccc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435644583 850719277 /nfs/dbraw/zinc/71/92/77/850719277.db2.gz IOIIBGNSSBAJQB-UHFFFAOYSA-N 0 1 393.535 3.899 20 10 GHCDMN CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000732737633 862457526 /nfs/dbraw/zinc/45/75/26/862457526.db2.gz QZPGEOFFAJUBCM-OAQYLSRUSA-N 0 1 397.538 3.853 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)c3ccccc3)cc2F)CC1 ZINC000171751346 862724621 /nfs/dbraw/zinc/72/46/21/862724621.db2.gz UXXZPGHBEAZTPZ-GOSISDBHSA-N 0 1 398.526 3.870 20 10 GHCDMN O=C(NCCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Br)cc1 ZINC000733327420 862870490 /nfs/dbraw/zinc/87/04/90/862870490.db2.gz QVKRCLJKWFDVOP-UHFFFAOYSA-N 0 1 397.700 3.718 20 10 GHCDMN COCc1csc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)c1 ZINC000895276632 858986531 /nfs/dbraw/zinc/98/65/31/858986531.db2.gz YOQKUAJZVPBCLO-UHFFFAOYSA-N 0 1 376.453 3.602 20 10 GHCDMN CC(C)Cn1cc([C@H]2N(Cc3cc(F)cc(F)c3O)CC23CCOCC3)cn1 ZINC000895290069 859038262 /nfs/dbraw/zinc/03/82/62/859038262.db2.gz CHCQWCFXMXSZEQ-HXUWFJFHSA-N 0 1 391.462 3.877 20 10 GHCDMN CCOc1ccc(-c2cn(C3CN(Cc4cc(C)cc(C)c4O)C3)nn2)cc1 ZINC000764952163 859695374 /nfs/dbraw/zinc/69/53/74/859695374.db2.gz XGSFNULDAQDKHN-UHFFFAOYSA-N 0 1 378.476 3.723 20 10 GHCDMN C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765312292 859900999 /nfs/dbraw/zinc/90/09/99/859900999.db2.gz CMNQFNVILKWNQK-LAUBAEHRSA-N 0 1 399.510 3.533 20 10 GHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(Br)cc1 ZINC000170269677 860202658 /nfs/dbraw/zinc/20/26/58/860202658.db2.gz IQPVHXBRKYUEFS-UHFFFAOYSA-N 0 1 380.622 3.748 20 10 GHCDMN CCN1CCN(c2ccc(CNc3nnc(C)cc3C(F)(F)F)cc2F)CC1 ZINC000730108666 860866690 /nfs/dbraw/zinc/86/66/90/860866690.db2.gz HVZSYQSTDNORRO-UHFFFAOYSA-N 0 1 397.420 3.697 20 10 GHCDMN CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730132957 860872866 /nfs/dbraw/zinc/87/28/66/860872866.db2.gz JQIOCTAADTXBQF-UHFFFAOYSA-N 0 1 398.526 3.699 20 10 GHCDMN CCC(CC)CN(CC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730133219 860873397 /nfs/dbraw/zinc/87/33/97/860873397.db2.gz MFFRTASBWQWVTA-UHFFFAOYSA-N 0 1 392.563 3.935 20 10 GHCDMN CCCCC[C@H](C)NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730112317 860877942 /nfs/dbraw/zinc/87/79/42/860877942.db2.gz YYCKWFAAHWOVBB-KRWDZBQOSA-N 0 1 378.536 3.736 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=S)Nc3ccccc3C)cc2F)CC1 ZINC000730155936 860900525 /nfs/dbraw/zinc/90/05/25/860900525.db2.gz DKWGFQXSEOOIOD-UHFFFAOYSA-N 0 1 386.540 3.763 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)c3ccc(C(F)F)cc3)cc2F)CC1 ZINC000730194908 860936271 /nfs/dbraw/zinc/93/62/71/860936271.db2.gz SEOKJZBHKYKOHJ-UHFFFAOYSA-N 0 1 391.437 3.835 20 10 GHCDMN COc1ccc(O)c(CNCc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000114506183 881627812 /nfs/dbraw/zinc/62/78/12/881627812.db2.gz OQVFSEBUZAPVPG-UHFFFAOYSA-N 0 1 375.831 3.977 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCS[C@@H](C)CC2)C1 ZINC000444279996 863807738 /nfs/dbraw/zinc/80/77/38/863807738.db2.gz HKUUWCKSJCQRSV-KRWDZBQOSA-N 0 1 385.577 3.762 20 10 GHCDMN COc1ccc(O)c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000444325163 864354842 /nfs/dbraw/zinc/35/48/42/864354842.db2.gz AIAZTDLCVZNIRU-UHFFFAOYSA-N 0 1 393.487 3.761 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000192842776 864570827 /nfs/dbraw/zinc/57/08/27/864570827.db2.gz HTUHIWNVJKKYPW-INIZCTEOSA-N 0 1 383.330 3.842 20 10 GHCDMN Cc1nc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ccc1[N+](=O)[O-] ZINC000301627637 865465491 /nfs/dbraw/zinc/46/54/91/865465491.db2.gz BMDYHVROKRAKQE-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN Cc1nc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ccc1[N+](=O)[O-] ZINC000301627637 865465496 /nfs/dbraw/zinc/46/54/96/865465496.db2.gz BMDYHVROKRAKQE-OAHLLOKOSA-N 0 1 376.844 3.734 20 10 GHCDMN O=C(CN1CCCCCC1)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000742367965 867239347 /nfs/dbraw/zinc/23/93/47/867239347.db2.gz VEBNXZRJGRMKEX-UHFFFAOYSA-N 0 1 397.475 3.548 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C\c3cc4cc(F)ccc4o3)SC2=S)CC1 ZINC000743282297 868029276 /nfs/dbraw/zinc/02/92/76/868029276.db2.gz KTRCSDXDHWEXSI-MHWRWJLKSA-N 0 1 376.478 3.867 20 10 GHCDMN Cc1nsc(N2CCC[N@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)CC2)n1 ZINC000743382828 868136356 /nfs/dbraw/zinc/13/63/56/868136356.db2.gz XTNAPKFKGPQMJR-UHFFFAOYSA-N 0 1 398.532 3.889 20 10 GHCDMN Cc1nsc(N2CCC[N@@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)CC2)n1 ZINC000743382828 868136363 /nfs/dbraw/zinc/13/63/63/868136363.db2.gz XTNAPKFKGPQMJR-UHFFFAOYSA-N 0 1 398.532 3.889 20 10 GHCDMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000183893507 868599068 /nfs/dbraw/zinc/59/90/68/868599068.db2.gz HILFMVCKRYSVNU-DYLHUKMJSA-N 0 1 394.393 3.549 20 10 GHCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCC1(F)F ZINC000857472657 882285624 /nfs/dbraw/zinc/28/56/24/882285624.db2.gz NINBQTOBTWDAMH-JKSUJKDBSA-N 0 1 386.870 3.952 20 10 GHCDMN CCOc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000857473020 882287450 /nfs/dbraw/zinc/28/74/50/882287450.db2.gz RMBDHINBDSXUBY-GOSISDBHSA-N 0 1 388.895 3.839 20 10 GHCDMN CN1CCCc2cc(CNC(=O)[C@@H]3CCCCN3Cc3ccccc3)ccc21 ZINC000746181880 870093138 /nfs/dbraw/zinc/09/31/38/870093138.db2.gz IMSKTLUFSCGRJC-QHCPKHFHSA-N 0 1 377.532 3.740 20 10 GHCDMN Cc1nc(COC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cs1 ZINC000766389375 870687356 /nfs/dbraw/zinc/68/73/56/870687356.db2.gz QAVLTRPRQIOXFR-UHFFFAOYSA-N 0 1 383.517 3.916 20 10 GHCDMN CCOC(=O)c1ccc(OCC)cc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626126 871196144 /nfs/dbraw/zinc/19/61/44/871196144.db2.gz VBXLDPKFAKMBQM-UHFFFAOYSA-N 0 1 379.796 3.579 20 10 GHCDMN O=C(Nc1ccc2c(Br)n[nH]c2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193626276 871196483 /nfs/dbraw/zinc/19/64/83/871196483.db2.gz XXLFMWZTGFGWFN-UHFFFAOYSA-N 0 1 382.601 3.642 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1[O-] ZINC000766941517 872102177 /nfs/dbraw/zinc/10/21/77/872102177.db2.gz WREWHWIDUPCHSE-HXUWFJFHSA-N 0 1 380.460 3.517 20 10 GHCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1O ZINC000767482057 872565318 /nfs/dbraw/zinc/56/53/18/872565318.db2.gz DZJWOQDVBMDSCR-SFHVURJKSA-N 0 1 380.423 3.856 20 10 GHCDMN COc1cc2c(cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1)O[C@H](C)C2 ZINC000768162507 873123006 /nfs/dbraw/zinc/12/30/06/873123006.db2.gz NEMQNNQCGXWJRY-UZLBHIALSA-N 0 1 383.488 3.905 20 10 GHCDMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258123 873196401 /nfs/dbraw/zinc/19/64/01/873196401.db2.gz PHRUGQHATNPFHN-UHFFFAOYSA-N 0 1 398.551 3.682 20 10 GHCDMN O=C1NCCN(Cc2cccc(Cl)c2O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000775728341 873235969 /nfs/dbraw/zinc/23/59/69/873235969.db2.gz RQLJEXAGFVCSDW-HNNXBMFYSA-N 0 1 384.785 3.738 20 10 GHCDMN Oc1cc2c(cc1CN1CCC[C@@H]1c1cccc(Br)c1)[C@@H](O)CO2 ZINC000768442147 873305441 /nfs/dbraw/zinc/30/54/41/873305441.db2.gz JRDIBGMXVSESOF-AEFFLSMTSA-N 0 1 390.277 3.918 20 10 GHCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768446589 873309458 /nfs/dbraw/zinc/30/94/58/873309458.db2.gz ZBTDUHAOYPBEOA-NFBKMPQASA-N 0 1 396.531 3.695 20 10 GHCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768446589 873309473 /nfs/dbraw/zinc/30/94/73/873309473.db2.gz ZBTDUHAOYPBEOA-NFBKMPQASA-N 0 1 396.531 3.695 20 10 GHCDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769499883 874107240 /nfs/dbraw/zinc/10/72/40/874107240.db2.gz SDTLGOBOCITUJP-QGZVFWFLSA-N 0 1 375.310 3.861 20 10 GHCDMN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000858110356 882856703 /nfs/dbraw/zinc/85/67/03/882856703.db2.gz RLHVIPTXABOGBU-ZDUSSCGKSA-N 0 1 375.419 3.838 20 10 GHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000858131380 882868119 /nfs/dbraw/zinc/86/81/19/882868119.db2.gz SZMAXVYJCMABHR-OAHLLOKOSA-N 0 1 390.199 3.997 20 10 GHCDMN Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1C(C)C ZINC000770793204 874874531 /nfs/dbraw/zinc/87/45/31/874874531.db2.gz RWCQPIPKNQFQKT-KRWDZBQOSA-N 0 1 390.915 3.526 20 10 GHCDMN COc1cc(O)c(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000776007610 875118561 /nfs/dbraw/zinc/11/85/61/875118561.db2.gz ONONZIAHPWGPEW-UAGQMJEPSA-N 0 1 391.508 3.884 20 10 GHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCc2ccccc2C1 ZINC001199934073 875249474 /nfs/dbraw/zinc/24/94/74/875249474.db2.gz OPJWHGIJLDERQM-CQSZACIVSA-N 0 1 375.310 3.691 20 10 GHCDMN CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000850500772 876975375 /nfs/dbraw/zinc/97/53/75/876975375.db2.gz JNFPVXQQGIQRTC-JKSUJKDBSA-N 0 1 389.293 3.783 20 10 GHCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ncc(-c2ccccc2)n1C ZINC000850567994 877036094 /nfs/dbraw/zinc/03/60/94/877036094.db2.gz NPHMNXDQOPAEAR-GOSISDBHSA-N 0 1 390.531 3.899 20 10 GHCDMN CCOc1ccc2nc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)[nH]c2c1 ZINC000007896734 877748985 /nfs/dbraw/zinc/74/89/85/877748985.db2.gz ZRSGBRHQRUYIFX-UHFFFAOYSA-N 0 1 398.532 3.778 20 10 GHCDMN COC[C@@H](NCc1ccc(N2CCC(OC)CC2)cc1)c1cccc(OC)c1 ZINC000852442280 878323606 /nfs/dbraw/zinc/32/36/06/878323606.db2.gz AZAGFPRDLFVPOK-HSZRJFAPSA-N 0 1 384.520 3.788 20 10 GHCDMN O=C(CCC[NH2+]Cc1cc(Br)ccc1[O-])N1CCc2ccccc21 ZINC000111409536 879126115 /nfs/dbraw/zinc/12/61/15/879126115.db2.gz MFVZMSQDWUMZHB-UHFFFAOYSA-N 0 1 389.293 3.614 20 10 GHCDMN Cc1oc2c(ccc([O-])c2C[N@H+]2CCC3(COC3)C2)c(=O)c1-c1ccccc1 ZINC000853595910 879153111 /nfs/dbraw/zinc/15/31/11/879153111.db2.gz ZWRKHHLHRQDACM-UHFFFAOYSA-N 0 1 377.440 3.696 20 10 GHCDMN Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000789891957 879339925 /nfs/dbraw/zinc/33/99/25/879339925.db2.gz ZIAYJOMCVRAMQZ-UHFFFAOYSA-N 0 1 392.547 3.595 20 10 GHCDMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000790053691 879431010 /nfs/dbraw/zinc/43/10/10/879431010.db2.gz IHRRUTJMKDSRSC-UHFFFAOYSA-N 0 1 394.924 3.930 20 10 GHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@H]1CO ZINC001203565212 912465677 /nfs/dbraw/zinc/46/56/77/912465677.db2.gz WMERWMXRGZTOJX-ZANVPECISA-N 0 1 393.119 3.510 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000790411921 879690317 /nfs/dbraw/zinc/69/03/17/879690317.db2.gz VTXSTMWYDDCVKX-UHFFFAOYSA-N 0 1 375.368 3.919 20 10 GHCDMN Cc1[nH]nc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1Cl ZINC000790974924 880135948 /nfs/dbraw/zinc/13/59/48/880135948.db2.gz HGEKYMAEHDZQCT-UHFFFAOYSA-N 0 1 385.899 3.731 20 10 GHCDMN OCCN(Cc1ccc(Br)s1)Cc1cc(Cl)ccc1O ZINC000792196079 880983483 /nfs/dbraw/zinc/98/34/83/880983483.db2.gz IKXCSTOVJRFIBN-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000792196079 880983493 /nfs/dbraw/zinc/98/34/93/880983493.db2.gz IKXCSTOVJRFIBN-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000792196079 880983504 /nfs/dbraw/zinc/98/35/04/880983504.db2.gz IKXCSTOVJRFIBN-UHFFFAOYSA-N 0 1 376.703 3.864 20 10 GHCDMN Cc1nc2c(cccc2C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000792237357 880996997 /nfs/dbraw/zinc/99/69/97/880996997.db2.gz BRXNCMOWVRSUNR-INIZCTEOSA-N 0 1 399.878 3.890 20 10 GHCDMN O=C(NCCc1ccc2c(c1)OCCO2)NCc1cc(Cl)cc(Cl)c1O ZINC000804861230 883402940 /nfs/dbraw/zinc/40/29/40/883402940.db2.gz VNBBPLZBTPFOCU-UHFFFAOYSA-N 0 1 397.258 3.512 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)OCc3ccccc3C)cc2F)CC1 ZINC000858954363 883489692 /nfs/dbraw/zinc/48/96/92/883489692.db2.gz VJERLZNBUXWTNW-UHFFFAOYSA-N 0 1 385.483 3.702 20 10 GHCDMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805174724 883656278 /nfs/dbraw/zinc/65/62/78/883656278.db2.gz KQXFECGLVKDMCO-TXNHMLTKSA-N 0 1 393.336 3.578 20 10 GHCDMN COC1CCN(c2ccc(CN3CCC[C@]3(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC000859381485 883787069 /nfs/dbraw/zinc/78/70/69/883787069.db2.gz QXYOOLJUPMCQQI-HSZRJFAPSA-N 0 1 388.552 3.998 20 10 GHCDMN CC(=O)N1CCc2cc(NC(=O)NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000806171079 884392031 /nfs/dbraw/zinc/39/20/31/884392031.db2.gz RKFFRDOVGFPGIG-UHFFFAOYSA-N 0 1 394.258 3.930 20 10 GHCDMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000860242956 884475600 /nfs/dbraw/zinc/47/56/00/884475600.db2.gz XOOZLXQGACICQT-RISCZKNCSA-N 0 1 378.822 3.715 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000805261627 884729506 /nfs/dbraw/zinc/72/95/06/884729506.db2.gz IGQDRLMAYWSQKJ-CYBMUJFWSA-N 0 1 389.279 3.574 20 10 GHCDMN CC(C)Oc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000807014810 885183547 /nfs/dbraw/zinc/18/35/47/885183547.db2.gz MMPHWRPBPWRSJQ-UHFFFAOYSA-N 0 1 384.263 3.881 20 10 GHCDMN Cc1nnc(-c2ccc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cc2)o1 ZINC000807839027 885768882 /nfs/dbraw/zinc/76/88/82/885768882.db2.gz GAKVDIVVQCVURC-UHFFFAOYSA-N 0 1 378.215 3.987 20 10 GHCDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc(Cl)cc(Cl)c1O ZINC000807840037 885771086 /nfs/dbraw/zinc/77/10/86/885771086.db2.gz VUVDWMGOMPXTND-UHFFFAOYSA-N 0 1 394.214 3.878 20 10 GHCDMN C[C@@H]1CCN(c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)ccn2)C1 ZINC000807841142 885773039 /nfs/dbraw/zinc/77/30/39/885773039.db2.gz SZCHZPFQOXKSGK-LLVKDONJSA-N 0 1 380.275 3.870 20 10 GHCDMN COc1cccc(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1OC ZINC000807835617 885799343 /nfs/dbraw/zinc/79/93/43/885799343.db2.gz KENPIJVATAOIKC-UHFFFAOYSA-N 0 1 384.259 3.965 20 10 GHCDMN Cc1cc(F)cc(-n2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)nn2)c1 ZINC000807837359 885802621 /nfs/dbraw/zinc/80/26/21/885802621.db2.gz MSEIEWPNCCFTJY-UHFFFAOYSA-N 0 1 395.221 3.657 20 10 GHCDMN COc1ccc(C(=O)CCC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807838682 885803954 /nfs/dbraw/zinc/80/39/54/885803954.db2.gz ODGZOUWGOFZMHD-UHFFFAOYSA-N 0 1 382.243 3.987 20 10 GHCDMN O=C(Cc1ccn(-c2ccccc2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839474 885806453 /nfs/dbraw/zinc/80/64/53/885806453.db2.gz NMTVDDQPQRBYAB-UHFFFAOYSA-N 0 1 376.243 3.744 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000747462709 886076161 /nfs/dbraw/zinc/07/61/61/886076161.db2.gz NNVZLRJVFAYVET-MRXNPFEDSA-N 0 1 380.488 3.504 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000747462709 886076170 /nfs/dbraw/zinc/07/61/70/886076170.db2.gz NNVZLRJVFAYVET-MRXNPFEDSA-N 0 1 380.488 3.504 20 10 GHCDMN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ncc1Br ZINC000862214649 886212554 /nfs/dbraw/zinc/21/25/54/886212554.db2.gz YUMDPRXQZXZJIB-UHFFFAOYSA-N 0 1 390.325 3.621 20 10 GHCDMN CCCCCC(=O)NC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862237944 886236459 /nfs/dbraw/zinc/23/64/59/886236459.db2.gz ZBEUFGMFRIODFX-UHFFFAOYSA-N 0 1 383.330 3.816 20 10 GHCDMN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862241944 886242476 /nfs/dbraw/zinc/24/24/76/886242476.db2.gz PLZSZKFJUAVLSO-UHFFFAOYSA-N 0 1 399.329 3.986 20 10 GHCDMN CCN(C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1)CC(F)(F)F ZINC000862250569 886254290 /nfs/dbraw/zinc/25/42/90/886254290.db2.gz RGOGYCBEFZNIPX-LBPRGKRZSA-N 0 1 395.263 3.861 20 10 GHCDMN CCN(C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1)CC(F)(F)F ZINC000862250569 886254308 /nfs/dbraw/zinc/25/43/08/886254308.db2.gz RGOGYCBEFZNIPX-LBPRGKRZSA-N 0 1 395.263 3.861 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000862371886 886334450 /nfs/dbraw/zinc/33/44/50/886334450.db2.gz NIJNEGKTLPDBAR-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000862371886 886334469 /nfs/dbraw/zinc/33/44/69/886334469.db2.gz NIJNEGKTLPDBAR-LJQANCHMSA-N 0 1 394.284 3.721 20 10 GHCDMN C[C@](CO)(NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccc(O)c1 ZINC000862432410 886374947 /nfs/dbraw/zinc/37/49/47/886374947.db2.gz BRPVTBVIBGLWED-RUZDIDTESA-N 0 1 388.511 3.952 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)cc1Cl ZINC000862483968 886402704 /nfs/dbraw/zinc/40/27/04/886402704.db2.gz ZVRRKNIVBSHQBO-UHFFFAOYSA-N 0 1 384.904 3.518 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)NC(C)(C)CC(C)(C)C)cc12 ZINC001184361919 913147234 /nfs/dbraw/zinc/14/72/34/913147234.db2.gz LTSQMXMRNQLYKF-UHFFFAOYSA-N 0 1 388.508 3.570 20 10 GHCDMN O=S(=O)(NC1CC1)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000863986239 887500767 /nfs/dbraw/zinc/50/07/67/887500767.db2.gz GMHPXZJJVVZLKQ-UHFFFAOYSA-N 0 1 387.288 3.752 20 10 GHCDMN CCc1nc([C@@H](C)NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)n[nH]1 ZINC000763201758 888249792 /nfs/dbraw/zinc/24/97/92/888249792.db2.gz LPYLALLMHNXAIX-CYBMUJFWSA-N 0 1 385.899 3.848 20 10 GHCDMN CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810231633 888308280 /nfs/dbraw/zinc/30/82/80/888308280.db2.gz IQUYXYFZWZURPH-KRWDZBQOSA-N 0 1 380.410 3.811 20 10 GHCDMN CCOCc1nc([C@H](C)N[C@@H](C)c2cc(Br)c(F)cc2O)no1 ZINC000810256342 888359793 /nfs/dbraw/zinc/35/97/93/888359793.db2.gz XTENFXONKSLKMJ-IUCAKERBSA-N 0 1 388.237 3.625 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000865683367 888513751 /nfs/dbraw/zinc/51/37/51/888513751.db2.gz WWCIMSATTCRTLN-QGZVFWFLSA-N 0 1 395.454 3.869 20 10 GHCDMN CCOc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000763406171 889229324 /nfs/dbraw/zinc/22/93/24/889229324.db2.gz DYJAZKBJNYWIPS-UHFFFAOYSA-N 0 1 395.425 3.626 20 10 GHCDMN CC(C)OCc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1O ZINC000811703317 889876754 /nfs/dbraw/zinc/87/67/54/889876754.db2.gz MYWFFNCWNWDTKO-UHFFFAOYSA-N 0 1 378.425 3.738 20 10 GHCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000917134057 891412549 /nfs/dbraw/zinc/41/25/49/891412549.db2.gz MJKJKBOLJLSIEJ-FQEVSTJZSA-N 0 1 390.531 3.730 20 10 GHCDMN O=C([O-])/C=C\c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000813308386 891501795 /nfs/dbraw/zinc/50/17/95/891501795.db2.gz QLBOEHNQLDBVAG-UITAMQMPSA-N 0 1 399.422 3.544 20 10 GHCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000033321495 891940576 /nfs/dbraw/zinc/94/05/76/891940576.db2.gz GQOOZMOWOQJGAZ-ZHZULCJRSA-N 0 1 388.398 3.866 20 10 GHCDMN COc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(O)c(C(C)(C)C)c1 ZINC000825710157 891942309 /nfs/dbraw/zinc/94/23/09/891942309.db2.gz HPIIHEUJNQRNQQ-UHFFFAOYSA-N 0 1 384.436 3.773 20 10 GHCDMN CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000876872409 893369716 /nfs/dbraw/zinc/36/97/16/893369716.db2.gz YMPVJJPGBZCCSH-LBPRGKRZSA-N 0 1 384.448 3.500 20 10 GHCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000815661005 894076131 /nfs/dbraw/zinc/07/61/31/894076131.db2.gz QHPOVUOVQVUGSW-ONIAQPFYSA-N 0 1 394.313 3.811 20 10 GHCDMN COc1cc(C(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)ccc1C ZINC000816493925 894861896 /nfs/dbraw/zinc/86/18/96/894861896.db2.gz RTVVOBPCOJAZSK-UHFFFAOYSA-N 0 1 390.483 3.820 20 10 GHCDMN Cc1cc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000218156491 895113396 /nfs/dbraw/zinc/11/33/96/895113396.db2.gz QPEGTURKKIVDQR-UHFFFAOYSA-N 0 1 395.547 3.754 20 10 GHCDMN COc1cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccc1O ZINC000569540910 898763873 /nfs/dbraw/zinc/76/38/73/898763873.db2.gz PETYEFGGKHROFR-UHFFFAOYSA-N 0 1 393.487 3.761 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cc4cc(Cl)cnc4o3)cc2F)CC1 ZINC000823702002 899195743 /nfs/dbraw/zinc/19/57/43/899195743.db2.gz KBYHIPFMMXQHGU-UHFFFAOYSA-N 0 1 389.858 3.871 20 10 GHCDMN CN(Cc1cccs1)c1ccc(CNCCS(=O)(=O)C(C)(C)C)cc1 ZINC000823866455 899285156 /nfs/dbraw/zinc/28/51/56/899285156.db2.gz IBAUWRKMDAVHAL-UHFFFAOYSA-N 0 1 380.579 3.687 20 10 GHCDMN CN(C)c1ccc([C@@H](CNCc2ccncc2F)NC(=O)OC(C)(C)C)cc1 ZINC000824066435 899379656 /nfs/dbraw/zinc/37/96/56/899379656.db2.gz RZQGGTTUQDOIBY-LJQANCHMSA-N 0 1 388.487 3.642 20 10 GHCDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000825278624 900066562 /nfs/dbraw/zinc/06/65/62/900066562.db2.gz GOEVRUZPDGTIAE-GOSISDBHSA-N 0 1 386.565 3.620 20 10 GHCDMN CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825422387 900158292 /nfs/dbraw/zinc/15/82/92/900158292.db2.gz NFFMFQGAKVOYFJ-UHFFFAOYSA-N 0 1 391.309 3.927 20 10 GHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1N1CCOCC1 ZINC000843890878 900295870 /nfs/dbraw/zinc/29/58/70/900295870.db2.gz VLONMBNGLDMPRI-UHFFFAOYSA-N 0 1 395.286 3.774 20 10 GHCDMN CC[C@@H](O)[C@H]1CCCCN1C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001144005695 900878127 /nfs/dbraw/zinc/87/81/27/900878127.db2.gz AJORCGLUUXFQGO-DHIUTWEWSA-N 0 1 397.563 3.560 20 10 GHCDMN OC[C@@H]1CCC[C@H](C(F)(F)F)N1Cc1cc(Br)c(F)cc1O ZINC001144299294 901649204 /nfs/dbraw/zinc/64/92/04/901649204.db2.gz VDDKSXDCLHMIIL-TVQRCGJNSA-N 0 1 386.183 3.572 20 10 GHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Br)c(F)cc2[O-])cc1OC ZINC001144299879 901650628 /nfs/dbraw/zinc/65/06/28/901650628.db2.gz LELSXQFTPYNDDR-UHFFFAOYSA-N 0 1 384.245 3.943 20 10 GHCDMN Oc1cc(F)c(Br)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001144307593 901695780 /nfs/dbraw/zinc/69/57/80/901695780.db2.gz BDCDCOJMHSBZSC-UHFFFAOYSA-N 0 1 388.240 3.995 20 10 GHCDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1cc(Br)c(F)cc1O ZINC001144307694 901698121 /nfs/dbraw/zinc/69/81/21/901698121.db2.gz FPLGZBVRBQQNNU-CQSZACIVSA-N 0 1 389.265 3.693 20 10 GHCDMN O=C(NCCc1cccs1)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000122318638 901762092 /nfs/dbraw/zinc/76/20/92/901762092.db2.gz VDMXGILOLXZPKB-UHFFFAOYSA-N 0 1 378.925 3.678 20 10 GHCDMN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047882884 902584645 /nfs/dbraw/zinc/58/46/45/902584645.db2.gz VCXVRUHWMJEIDQ-FQEVSTJZSA-N 0 1 382.508 3.516 20 10 GHCDMN COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846054396 902641155 /nfs/dbraw/zinc/64/11/55/902641155.db2.gz ANYZDOLALRTSLE-GFCCVEGCSA-N 0 1 378.856 3.570 20 10 GHCDMN C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(Br)cc1[O-] ZINC000846215428 902791564 /nfs/dbraw/zinc/79/15/64/902791564.db2.gz KQYFYLJMVYWOLT-ABAIWWIYSA-N 0 1 377.282 3.582 20 10 GHCDMN COC1CCN(c2ccc(C[N@@H+](CC(=O)[O-])Cc3ccc(F)cc3)cc2)CC1 ZINC000846269718 902837675 /nfs/dbraw/zinc/83/76/75/902837675.db2.gz BPCFWWZYOXMWJT-UHFFFAOYSA-N 0 1 386.467 3.528 20 10 GHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846776037 903192571 /nfs/dbraw/zinc/19/25/71/903192571.db2.gz HBXKNAJGGVHIFJ-UHFFFAOYSA-N 0 1 382.430 3.894 20 10 GHCDMN CCC(C)(C)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CC1 ZINC000847037494 903390869 /nfs/dbraw/zinc/39/08/69/903390869.db2.gz NWBNDHIWBBFADK-UHFFFAOYSA-N 0 1 386.515 3.617 20 10 GHCDMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773210713 904571761 /nfs/dbraw/zinc/57/17/61/904571761.db2.gz QIHIWFWYFKETTJ-QGZVFWFLSA-N 0 1 398.526 3.917 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cncs2)C1 ZINC000889513034 904616515 /nfs/dbraw/zinc/61/65/15/904616515.db2.gz YXALERRSGSJABX-OAHLLOKOSA-N 0 1 382.533 3.742 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163046 905034588 /nfs/dbraw/zinc/03/45/88/905034588.db2.gz VHGQRWGUGRGCNL-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000779163046 905034607 /nfs/dbraw/zinc/03/46/07/905034607.db2.gz VHGQRWGUGRGCNL-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN COc1cc(Cl)cc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000779189863 905240323 /nfs/dbraw/zinc/24/03/23/905240323.db2.gz HOPRIPNSNPHZCV-UHFFFAOYSA-N 0 1 384.263 3.541 20 10 GHCDMN CN1CCC(N2C(=O)/C(=C/c3ccc(OCC(F)F)cc3)SC2=S)CC1 ZINC000174911960 905387993 /nfs/dbraw/zinc/38/79/93/905387993.db2.gz NISOYRDDSPEBGV-GDNBJRDFSA-N 0 1 398.500 3.626 20 10 GHCDMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(F)cc(C(C)=O)c3[O-])ccc2NC1=O ZINC000180033302 906670140 /nfs/dbraw/zinc/67/01/40/906670140.db2.gz LQFUDTGXRUJXHC-ADLMAVQZSA-N 0 1 386.423 3.694 20 10 GHCDMN COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185826857 907841002 /nfs/dbraw/zinc/84/10/02/907841002.db2.gz XIUWEJOFAJQMDP-SJCJKPOMSA-N 0 1 380.282 3.938 20 10 GHCDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000192848644 907963202 /nfs/dbraw/zinc/96/32/02/907963202.db2.gz YZVQGFGCBIQWCX-CQSZACIVSA-N 0 1 394.431 3.990 20 10 GHCDMN C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H](C(F)(F)F)O1 ZINC001179877588 909799349 /nfs/dbraw/zinc/79/93/49/909799349.db2.gz HTPDSAWKYHFQKP-HQJQHLMTSA-N 0 1 388.611 3.960 20 10 GHCDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001180034754 909905700 /nfs/dbraw/zinc/90/57/00/909905700.db2.gz GZYUKBDKSURYMV-LLVKDONJSA-N 0 1 381.810 3.570 20 10 GHCDMN CC[C@H]1C[C@H](OC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CCO1 ZINC000774183591 911501582 /nfs/dbraw/zinc/50/15/82/911501582.db2.gz NFAOFQWVGZIMBU-ZWKOTPCHSA-N 0 1 384.520 3.909 20 10 GHCDMN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000283957941 911703805 /nfs/dbraw/zinc/70/38/05/911703805.db2.gz BVZQTOJVRRPDIA-GFCCVEGCSA-N 0 1 395.908 3.893 20 10 GHCDMN [O-]c1c(F)cc(Cl)cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001182712932 911996999 /nfs/dbraw/zinc/99/69/99/911996999.db2.gz DEDWGGMDMVEEOH-WOJBJXKFSA-N 0 1 390.886 3.660 20 10 GHCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])nc(N2CCCC2)n1 ZINC000293740292 916355917 /nfs/dbraw/zinc/35/59/17/916355917.db2.gz QRLVVDPYZBZZAX-ZDUSSCGKSA-N 0 1 391.313 3.704 20 10 GHCDMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291831 916836880 /nfs/dbraw/zinc/83/68/80/916836880.db2.gz PTMOTDAYEQKSLW-UHFFFAOYSA-N 0 1 383.853 3.558 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@]3(CC3(F)F)C2)C1 ZINC000650915018 917341471 /nfs/dbraw/zinc/34/14/71/917341471.db2.gz NTFDGLJELMSZGH-OAQYLSRUSA-N 0 1 387.474 3.666 20 10 GHCDMN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(c3cnc[nH]3)CC2)CCCC1 ZINC000651461899 917611599 /nfs/dbraw/zinc/61/15/99/917611599.db2.gz LHXPJSCDNRUQJR-UHFFFAOYSA-N 0 1 392.503 3.658 20 10 GHCDMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001191114518 917765403 /nfs/dbraw/zinc/76/54/03/917765403.db2.gz FYQOPGITVUKAHS-UHFFFAOYSA-N 0 1 386.267 3.581 20 10 GHCDMN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000775498371 918371279 /nfs/dbraw/zinc/37/12/79/918371279.db2.gz YPHNBWGJMYLAFW-SUMWQHHRSA-N 0 1 391.309 3.900 20 10 GHCDMN CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(Br)ccc1[O-] ZINC000775500524 918428204 /nfs/dbraw/zinc/42/82/04/918428204.db2.gz QNXFROFDGMAGTM-AWEZNQCLSA-N 0 1 377.273 3.925 20 10 GHCDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000119472489 919632843 /nfs/dbraw/zinc/63/28/43/919632843.db2.gz NRZQRMHDUPPJNA-SNVBAGLBSA-N 0 1 389.304 3.539 20 10 GHCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCC(N2CCOCC2)CC1 ZINC000900028970 919761040 /nfs/dbraw/zinc/76/10/40/919761040.db2.gz OJNVXUHBGRJNBK-UHFFFAOYSA-N 0 1 399.579 3.526 20 10 GHCDMN CCOc1ccc(O)c(CN[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000800309438 919885325 /nfs/dbraw/zinc/88/53/25/919885325.db2.gz NAWZTAXJWOKZMP-HNNXBMFYSA-N 0 1 382.229 3.916 20 10 GHCDMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cccc(Br)c1[O-] ZINC000802652825 922309829 /nfs/dbraw/zinc/30/98/29/922309829.db2.gz KKVOHYCXGNKUOT-UHFFFAOYSA-N 0 1 397.338 3.663 20 10 GHCDMN CCc1nc(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)n[nH]1 ZINC000011713148 925474741 /nfs/dbraw/zinc/47/47/41/925474741.db2.gz QVQHUQGHSZYILS-UHFFFAOYSA-N 0 1 398.488 3.536 20 10 GHCDMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)n1 ZINC000011713148 925474749 /nfs/dbraw/zinc/47/47/49/925474749.db2.gz QVQHUQGHSZYILS-UHFFFAOYSA-N 0 1 398.488 3.536 20 10 GHCDMN Cc1cc(C(=O)CN2CCC3(C2)CCOCC3)c(C)n1-c1ccc(Cl)cn1 ZINC000827948638 926373329 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CN1CCC[C@H]2CN(S(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)C[C@H]21 ZINC001197178850 873616886 /nfs/dbraw/zinc/61/68/86/873616886.db2.gz RHRUBYAPXBZDSP-MOZSJKAESA-N 0 1 384.505 3.817 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768912625 873678895 /nfs/dbraw/zinc/67/88/95/873678895.db2.gz PZEKNBOGANQMAF-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768912625 873678903 /nfs/dbraw/zinc/67/89/03/873678903.db2.gz PZEKNBOGANQMAF-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN O=C(Cc1ccc(F)cc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768912625 873678909 /nfs/dbraw/zinc/67/89/09/873678909.db2.gz PZEKNBOGANQMAF-SFHVURJKSA-N 0 1 376.859 3.508 20 10 GHCDMN C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000768913256 873681640 /nfs/dbraw/zinc/68/16/40/873681640.db2.gz XEWSMVKIWYVSHY-CRAIPNDOSA-N 0 1 388.895 3.594 20 10 GHCDMN C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc(Br)cc1[O-] ZINC000528003679 873872465 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COc1cccc(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1O ZINC000770313422 874592348 /nfs/dbraw/zinc/59/23/48/874592348.db2.gz VQOKRFJNTKHXGI-KRWDZBQOSA-N 0 1 380.444 3.541 20 10 GHCDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770385699 874669112 /nfs/dbraw/zinc/66/91/12/874669112.db2.gz JZRZAPWHKZWAPS-VXGBXAGGSA-N 0 1 399.875 3.689 20 10 GHCDMN CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858138711 882874204 /nfs/dbraw/zinc/87/42/04/882874204.db2.gz IUOWBJWCFKTPAA-GOSISDBHSA-N 0 1 380.282 3.765 20 10 GHCDMN CN(C)c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000771055367 875012593 /nfs/dbraw/zinc/01/25/93/875012593.db2.gz CATHRIBBVLZCRD-GOSISDBHSA-N 0 1 387.911 3.506 20 10 GHCDMN COc1cc(O)c(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)cc1OC ZINC000776007614 875118646 /nfs/dbraw/zinc/11/86/46/875118646.db2.gz ONONZIAHPWGPEW-XIRDDKMYSA-N 0 1 391.508 3.884 20 10 GHCDMN CC1(C)Oc2ccsc2[C@@H](NCc2c(O)cccc2Br)[C@@H]1O ZINC000858178092 882912092 /nfs/dbraw/zinc/91/20/92/882912092.db2.gz SFCZHGSDSWICJR-HIFRSBDPSA-N 0 1 384.295 3.579 20 10 GHCDMN COCc1cnc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC000771828202 875498716 /nfs/dbraw/zinc/49/87/16/875498716.db2.gz UVXYOPMBRMOCFV-UHFFFAOYSA-N 0 1 383.464 3.650 20 10 GHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000825537354 876335189 /nfs/dbraw/zinc/33/51/89/876335189.db2.gz WLWZQTNBNBWIRD-UHFFFAOYSA-N 0 1 394.284 3.863 20 10 GHCDMN C[C@H](Sc1ncc(Cl)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000849999645 876585023 /nfs/dbraw/zinc/58/50/23/876585023.db2.gz VWAKHSQHACNWFR-JSGCOSHPSA-N 0 1 381.954 3.668 20 10 GHCDMN COc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)c(Cl)c1OC ZINC000850405857 876887167 /nfs/dbraw/zinc/88/71/67/876887167.db2.gz HZOSUMJJDFSGIX-UHFFFAOYSA-N 0 1 390.911 3.608 20 10 GHCDMN OC1CCN(c2ccc(CNCc3cccc(F)c3Br)cc2)CC1 ZINC000850406524 876888663 /nfs/dbraw/zinc/88/86/63/876888663.db2.gz KLYFIQSFKNTLKU-UHFFFAOYSA-N 0 1 393.300 3.839 20 10 GHCDMN C[C@H](NCCS(=O)(=O)CC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000850518602 876991136 /nfs/dbraw/zinc/99/11/36/876991136.db2.gz CDZOGKGWNSZWLV-HNNXBMFYSA-N 0 1 392.487 3.695 20 10 GHCDMN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850534738 877005533 /nfs/dbraw/zinc/00/55/33/877005533.db2.gz PVMCUTAESFZICY-VHSSKADRSA-N 0 1 386.870 3.642 20 10 GHCDMN CC[C@H](NCc1ncnn1-c1ccccc1)c1cc(Br)ccc1O ZINC000786936019 877066287 /nfs/dbraw/zinc/06/62/87/877066287.db2.gz DAAYLZDHSBFPMV-INIZCTEOSA-N 0 1 387.281 3.976 20 10 GHCDMN CCO[C@H]1COCC[C@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776486181 877085722 /nfs/dbraw/zinc/08/57/22/877085722.db2.gz YGJNCSJZIVKNGM-UXHICEINSA-N 0 1 382.464 3.824 20 10 GHCDMN CCO[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000776486182 877085924 /nfs/dbraw/zinc/08/59/24/877085924.db2.gz YGJNCSJZIVKNGM-VQTJNVASSA-N 0 1 382.464 3.824 20 10 GHCDMN CCOC(=O)CCN(Cc1cccnc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000109809104 877480354 /nfs/dbraw/zinc/48/03/54/877480354.db2.gz ZRNATQJBOVUNJH-UHFFFAOYSA-N 0 1 386.492 3.746 20 10 GHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1[O-] ZINC000179557205 877719739 /nfs/dbraw/zinc/71/97/39/877719739.db2.gz VTGOZCCRKNIZKZ-LJQANCHMSA-N 0 1 386.879 3.702 20 10 GHCDMN COc1ccc2nc(CNCc3ccc(N4CCC(CO)CC4)cc3)sc2c1 ZINC000788969346 878476419 /nfs/dbraw/zinc/47/64/19/878476419.db2.gz WPQIXVPHJRKBAE-UHFFFAOYSA-N 0 1 397.544 3.803 20 10 GHCDMN CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000180123899 878535502 /nfs/dbraw/zinc/53/55/02/878535502.db2.gz TYDNTIQGBQGXSF-UHFFFAOYSA-N 0 1 375.475 3.793 20 10 GHCDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853529884 879090210 /nfs/dbraw/zinc/09/02/10/879090210.db2.gz PMUXZDGINHHEON-OCCSQVGLSA-N 0 1 389.414 3.569 20 10 GHCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000790411187 879688274 /nfs/dbraw/zinc/68/82/74/879688274.db2.gz GSQSNRBRSXQSOV-UHFFFAOYSA-N 0 1 384.866 3.855 20 10 GHCDMN Cn1c(CC[NH2+]Cc2cc(Br)ccc2[O-])nc2c1cccc2F ZINC000113358891 880522867 /nfs/dbraw/zinc/52/28/67/880522867.db2.gz KFKIFVQTYCEYAL-UHFFFAOYSA-N 0 1 378.245 3.513 20 10 GHCDMN Cc1nc2cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc2o1 ZINC000792238311 880998211 /nfs/dbraw/zinc/99/82/11/880998211.db2.gz OYXQDHQPXNRSMG-KRWDZBQOSA-N 0 1 399.878 3.890 20 10 GHCDMN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Br)ccc1[O-] ZINC000858536687 883183324 /nfs/dbraw/zinc/18/33/24/883183324.db2.gz KAOGOOLVUJKHFS-RKVPGOIHSA-N 0 1 393.281 3.826 20 10 GHCDMN COc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000804856982 883437451 /nfs/dbraw/zinc/43/74/51/883437451.db2.gz BGENVGFTQXPZHI-UHFFFAOYSA-N 0 1 385.247 3.716 20 10 GHCDMN COc1cccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1OC ZINC000804927564 883490728 /nfs/dbraw/zinc/49/07/28/883490728.db2.gz HAEXTJULKIKLBV-UHFFFAOYSA-N 0 1 399.274 3.758 20 10 GHCDMN COc1ccc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000805021798 883536405 /nfs/dbraw/zinc/53/64/05/883536405.db2.gz AJHFULLVZDTHRU-UHFFFAOYSA-N 0 1 399.274 3.758 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1=O ZINC001275242553 912805099 /nfs/dbraw/zinc/80/50/99/912805099.db2.gz WQJSEACZGRXMGO-LJQANCHMSA-N 0 1 393.325 3.545 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3cc(Br)ccc3[O-])C2)C1=O ZINC001275242553 912805114 /nfs/dbraw/zinc/80/51/14/912805114.db2.gz WQJSEACZGRXMGO-LJQANCHMSA-N 0 1 393.325 3.545 20 10 GHCDMN CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)C1=O ZINC001275242553 912805127 /nfs/dbraw/zinc/80/51/27/912805127.db2.gz WQJSEACZGRXMGO-LJQANCHMSA-N 0 1 393.325 3.545 20 10 GHCDMN C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000806182833 884425686 /nfs/dbraw/zinc/42/56/86/884425686.db2.gz DNTAHCHKAOHPHD-WMZOPIPTSA-N 0 1 396.512 3.659 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cn(Cc2ccccc2)nn1 ZINC000806439416 884703741 /nfs/dbraw/zinc/70/37/41/884703741.db2.gz LYZJYQOHSHELGW-UHFFFAOYSA-N 0 1 392.246 3.661 20 10 GHCDMN CN(C)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1F ZINC000806635374 884889410 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CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000807835280 885798976 /nfs/dbraw/zinc/79/89/76/885798976.db2.gz CUQOZKTVHAXQST-INIZCTEOSA-N 0 1 381.259 3.583 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1OCC(F)F ZINC000807835240 885799143 /nfs/dbraw/zinc/79/91/43/885799143.db2.gz BABARJMPTXRPET-UHFFFAOYSA-N 0 1 377.174 3.668 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccco2)[nH]c1=O ZINC000807837494 885802456 /nfs/dbraw/zinc/80/24/56/885802456.db2.gz RWMRIAFJAMWBKV-UHFFFAOYSA-N 0 1 379.199 3.990 20 10 GHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000807839275 885806385 /nfs/dbraw/zinc/80/63/85/885806385.db2.gz KFEMPILMMJYHTQ-LBPRGKRZSA-N 0 1 383.206 3.580 20 10 GHCDMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(C)n1-c1ccc(Br)cc1 ZINC000861759826 885833689 /nfs/dbraw/zinc/83/36/89/885833689.db2.gz QIEVQBJFWJHGPP-UHFFFAOYSA-N 0 1 399.292 3.778 20 10 GHCDMN CCOC(=O)c1cccc(CN(CC)Cc2cc(Br)ccc2O)n1 ZINC000862250435 886254013 /nfs/dbraw/zinc/25/40/13/886254013.db2.gz KPOPVJOBFYITJV-UHFFFAOYSA-N 0 1 393.281 3.749 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862254232 886260442 /nfs/dbraw/zinc/26/04/42/886260442.db2.gz WZERFCJDDOHFEK-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862254232 886260464 /nfs/dbraw/zinc/26/04/64/886260464.db2.gz WZERFCJDDOHFEK-OLZOCXBDSA-N 0 1 399.329 3.890 20 10 GHCDMN CCN(CC)S(=O)(=O)c1cc(NCc2ccc(F)c(F)c2O)ccc1C ZINC000864036225 887527015 /nfs/dbraw/zinc/52/70/15/887527015.db2.gz MRGDRWBIHQKRBZ-UHFFFAOYSA-N 0 1 384.448 3.621 20 10 GHCDMN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000809691346 887667533 /nfs/dbraw/zinc/66/75/33/887667533.db2.gz LNNJEXVCDPFQGT-CQSZACIVSA-N 0 1 385.302 3.564 20 10 GHCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809771482 887761947 /nfs/dbraw/zinc/76/19/47/887761947.db2.gz MUVRMFTWMPIOHW-WFASDCNBSA-N 0 1 399.329 3.951 20 10 GHCDMN COc1c([O-])c(C[NH2+]Cc2ccncc2OCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000809784715 887834785 /nfs/dbraw/zinc/83/47/85/887834785.db2.gz YOQKXNIVBDOUHZ-UHFFFAOYSA-N 0 1 389.452 3.809 20 10 GHCDMN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Br)cc1[O-] ZINC000810248412 888349561 /nfs/dbraw/zinc/34/95/61/888349561.db2.gz USTDOQQQVWLOBA-BOFPYLFWSA-N 0 1 376.294 3.972 20 10 GHCDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000121864472 889187548 /nfs/dbraw/zinc/18/75/48/889187548.db2.gz LGKIDLXOMSVGDA-AWEZNQCLSA-N 0 1 392.450 3.842 20 10 GHCDMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811703905 889877904 /nfs/dbraw/zinc/87/79/04/889877904.db2.gz KUQUNBKXERGRTC-UHFFFAOYSA-N 0 1 385.869 3.780 20 10 GHCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000811793811 890008128 /nfs/dbraw/zinc/00/81/28/890008128.db2.gz XMZQJWJEZZTJSY-NFBKMPQASA-N 0 1 393.483 3.862 20 10 GHCDMN CC(C)[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(N(C)C)cc1 ZINC000917074955 890972734 /nfs/dbraw/zinc/97/27/34/890972734.db2.gz MPWHDDGTVXJOFC-UHFFFAOYSA-N 0 1 387.955 3.975 20 10 GHCDMN CC(C)N(CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(N(C)C)cc1 ZINC000917074955 890972746 /nfs/dbraw/zinc/97/27/46/890972746.db2.gz MPWHDDGTVXJOFC-UHFFFAOYSA-N 0 1 387.955 3.975 20 10 GHCDMN CCCCCC[C@@H](C)NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000917089697 891081575 /nfs/dbraw/zinc/08/15/75/891081575.db2.gz FNZVYHUSYRNMDS-LJQANCHMSA-N 0 1 375.557 3.682 20 10 GHCDMN COc1ccc2c(c1)OCC[C@@H]2NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873061057 891449595 /nfs/dbraw/zinc/44/95/95/891449595.db2.gz FQDPZYZTHXWPQS-FQEVSTJZSA-N 0 1 379.460 3.562 20 10 GHCDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000127772581 891747350 /nfs/dbraw/zinc/74/73/50/891747350.db2.gz RRCTUESATAZVGH-QFIPXVFZSA-N 0 1 386.536 3.582 20 10 GHCDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820649 913646703 /nfs/dbraw/zinc/64/67/03/913646703.db2.gz CZUKVHQACMCFHQ-MRXNPFEDSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)c1 ZINC000774820649 913646712 /nfs/dbraw/zinc/64/67/12/913646712.db2.gz CZUKVHQACMCFHQ-MRXNPFEDSA-N 0 1 388.420 3.663 20 10 GHCDMN COc1c([O-])c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821677 913650016 /nfs/dbraw/zinc/65/00/16/913650016.db2.gz UOPBWTFWSDNTHI-CQSZACIVSA-N 0 1 378.450 3.552 20 10 GHCDMN COc1c([O-])c(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000774821677 913650023 /nfs/dbraw/zinc/65/00/23/913650023.db2.gz UOPBWTFWSDNTHI-CQSZACIVSA-N 0 1 378.450 3.552 20 10 GHCDMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127186951 894371606 /nfs/dbraw/zinc/37/16/06/894371606.db2.gz DNQLGJCHSQNLMO-GFCCVEGCSA-N 0 1 387.827 3.728 20 10 GHCDMN Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000127215868 894415087 /nfs/dbraw/zinc/41/50/87/894415087.db2.gz AAVZGJLNQPXCQH-LJQANCHMSA-N 0 1 381.520 3.599 20 10 GHCDMN O=C(Oc1ccccc1)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816501505 894881983 /nfs/dbraw/zinc/88/19/83/894881983.db2.gz OSNMSJVPOHGLBH-UHFFFAOYSA-N 0 1 378.831 3.891 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cc2)C1 ZINC000816562627 894945790 /nfs/dbraw/zinc/94/57/90/894945790.db2.gz SKCRQQDWDTXQPA-FQEVSTJZSA-N 0 1 389.499 3.537 20 10 GHCDMN COC1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)O[C@H](C)C3)cc2)CC1 ZINC000880067989 895490934 /nfs/dbraw/zinc/49/09/34/895490934.db2.gz YXSRCIPZTAQOFR-DNVCBOLYSA-N 0 1 386.458 3.844 20 10 GHCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000817882026 895948387 /nfs/dbraw/zinc/94/83/87/895948387.db2.gz VFYHTYWIVSKWRO-GDBMZVCRSA-N 0 1 395.341 3.982 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774913878 914025326 /nfs/dbraw/zinc/02/53/26/914025326.db2.gz SRKICJDRIPMAJE-WBVHZDCISA-N 0 1 390.436 3.770 20 10 GHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915223 914031463 /nfs/dbraw/zinc/03/14/63/914031463.db2.gz ZILZDTCOFVDARH-WMZOPIPTSA-N 0 1 390.411 3.536 20 10 GHCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)cc(Br)c1[O-] ZINC000818614969 896217570 /nfs/dbraw/zinc/21/75/70/896217570.db2.gz KAVWICSIDGISAF-BZHVJNSISA-N 0 1 392.135 3.838 20 10 GHCDMN FC(F)Oc1ccc(N2CCC[C@H](N[C@H](c3nnc[nH]3)c3ccccc3)C2)cc1 ZINC000289148595 914056827 /nfs/dbraw/zinc/05/68/27/914056827.db2.gz GDNSZXFDXLJNGF-LPHOPBHVSA-N 0 1 399.445 3.754 20 10 GHCDMN CC[NH+]1CCC(n2nccc2NCc2cc(Br)cc(F)c2[O-])CC1 ZINC000882964967 897154674 /nfs/dbraw/zinc/15/46/74/897154674.db2.gz SOGXTWQYJGHZQP-UHFFFAOYSA-N 0 1 397.292 3.759 20 10 GHCDMN CN(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1F ZINC001136454381 897930847 /nfs/dbraw/zinc/93/08/47/897930847.db2.gz VXAFKEZYTFBAIF-UHFFFAOYSA-N 0 1 378.860 3.927 20 10 GHCDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109772263 898590702 /nfs/dbraw/zinc/59/07/02/898590702.db2.gz TZYHZLCZJOJGCJ-KRWDZBQOSA-N 0 1 378.476 3.654 20 10 GHCDMN CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC000824608155 899719203 /nfs/dbraw/zinc/71/92/03/899719203.db2.gz BNGVXNWVNQXSJC-UHFFFAOYSA-N 0 1 379.460 3.756 20 10 GHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1Cl ZINC000825113855 899984423 /nfs/dbraw/zinc/98/44/23/899984423.db2.gz LOKROFOJPCJPAW-GJZGRUSLSA-N 0 1 375.900 3.652 20 10 GHCDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000825117604 899988992 /nfs/dbraw/zinc/98/89/92/899988992.db2.gz HZVZRKWXKCCMEZ-USXIJHARSA-N 0 1 394.313 3.638 20 10 GHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1Cl ZINC000825125619 899995289 /nfs/dbraw/zinc/99/52/89/899995289.db2.gz MEOXDLUTTVBQEB-CQSZACIVSA-N 0 1 388.895 3.862 20 10 GHCDMN COc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000825525463 900211692 /nfs/dbraw/zinc/21/16/92/900211692.db2.gz DXYKWTVVFVSTRR-IBGZPJMESA-N 0 1 391.533 3.574 20 10 GHCDMN O=C([O-])/C=C/c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000844219808 900586148 /nfs/dbraw/zinc/58/61/48/900586148.db2.gz WQYMSUYQIOUGHS-MNDMWVCDSA-N 0 1 396.447 3.609 20 10 GHCDMN OC1CCN(c2ccc(CNCc3ccccc3OCC(F)F)cc2F)CC1 ZINC000885940478 900648744 /nfs/dbraw/zinc/64/87/44/900648744.db2.gz KJXRFRYCCWIKGG-UHFFFAOYSA-N 0 1 394.437 3.721 20 10 GHCDMN O=C(NC1CCN(Cc2cc(Br)ccc2O)CC1)c1ccsc1 ZINC000092484517 901496449 /nfs/dbraw/zinc/49/64/49/901496449.db2.gz WRHADOPBXWZQAX-UHFFFAOYSA-N 0 1 395.322 3.611 20 10 GHCDMN CC(=O)[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000887253805 901642142 /nfs/dbraw/zinc/64/21/42/901642142.db2.gz CDCITLUYKGMZRE-WGSAOQKQSA-N 0 1 395.547 3.672 20 10 GHCDMN CN(CC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-])Cc1ccccc1 ZINC001144307786 901698880 /nfs/dbraw/zinc/69/88/80/901698880.db2.gz HTTIIVHZZKAFFI-UHFFFAOYSA-N 0 1 381.289 3.858 20 10 GHCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)cc2=O ZINC000846257582 902831051 /nfs/dbraw/zinc/83/10/51/902831051.db2.gz SCSDFXACOIIUAH-RXQFDZFGSA-N 0 1 392.459 3.591 20 10 GHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(OCC(F)(F)F)nn2)cc1 ZINC000846765595 903181563 /nfs/dbraw/zinc/18/15/63/903181563.db2.gz ACIWGFZVLNORLI-UHFFFAOYSA-N 0 1 382.430 3.896 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)OCC3CCCCC3)cc2F)CC1 ZINC001186674260 914743066 /nfs/dbraw/zinc/74/30/66/914743066.db2.gz FHOCPXMXHLUKEJ-UHFFFAOYSA-N 0 1 377.504 3.774 20 10 GHCDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000779162623 904958837 /nfs/dbraw/zinc/95/88/37/904958837.db2.gz OAAQLPNSPTWLQC-CHWSQXEVSA-N 0 1 399.329 3.890 20 10 GHCDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Br)ccc1[O-] ZINC000181009529 906897954 /nfs/dbraw/zinc/89/79/54/906897954.db2.gz SLLFRYGHXRJCEM-LBPRGKRZSA-N 0 1 393.281 3.703 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001174940335 907302341 /nfs/dbraw/zinc/30/23/41/907302341.db2.gz DNQJCYIPNRMPIZ-UHFFFAOYSA-N 0 1 392.507 3.750 20 10 GHCDMN Cc1cc(C(=O)N2CCC(c3nn[nH]n3)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC001174940335 907302351 /nfs/dbraw/zinc/30/23/51/907302351.db2.gz DNQJCYIPNRMPIZ-UHFFFAOYSA-N 0 1 392.507 3.750 20 10 GHCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000184684595 907638809 /nfs/dbraw/zinc/63/88/09/907638809.db2.gz SIOKZSYYOFRFTD-UHFFFAOYSA-N 0 1 389.927 3.588 20 10 GHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000184684595 907638816 /nfs/dbraw/zinc/63/88/16/907638816.db2.gz SIOKZSYYOFRFTD-UHFFFAOYSA-N 0 1 389.927 3.588 20 10 GHCDMN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000186068527 907874208 /nfs/dbraw/zinc/87/42/08/907874208.db2.gz XHQMQHJYYFOTPP-LBPRGKRZSA-N 0 1 381.270 3.527 20 10 GHCDMN CN1CCN(c2ccc(CNc3cccc(Oc4cnccn4)c3)cc2)CC1 ZINC001177354303 908549437 /nfs/dbraw/zinc/54/94/37/908549437.db2.gz OFXHCACIVFIJKI-UHFFFAOYSA-N 0 1 375.476 3.633 20 10 GHCDMN CSCc1n[nH]c(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)n1 ZINC001178070031 908876857 /nfs/dbraw/zinc/87/68/57/908876857.db2.gz OIBTZXWKYOHMLW-UHFFFAOYSA-N 0 1 383.521 3.622 20 10 GHCDMN CSCc1nnc(CNC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)[nH]1 ZINC001178070031 908876871 /nfs/dbraw/zinc/87/68/71/908876871.db2.gz OIBTZXWKYOHMLW-UHFFFAOYSA-N 0 1 383.521 3.622 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859971 909785681 /nfs/dbraw/zinc/78/56/81/909785681.db2.gz XGTJUBZDKADWMO-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001179859971 909785689 /nfs/dbraw/zinc/78/56/89/909785689.db2.gz XGTJUBZDKADWMO-KBPBESRZSA-N 0 1 383.330 3.672 20 10 GHCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC001179965937 909873800 /nfs/dbraw/zinc/87/38/00/909873800.db2.gz CGZJVPOKQNLDHB-LBPRGKRZSA-N 0 1 391.336 3.561 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)c2cnccn2)C1 ZINC000774074240 911347426 /nfs/dbraw/zinc/34/74/26/911347426.db2.gz YOUSILNLASUZOC-INIZCTEOSA-N 0 1 378.476 3.502 20 10 GHCDMN Cc1cc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c(C)n1-c1ccccc1C ZINC000774243532 911564700 /nfs/dbraw/zinc/56/47/00/911564700.db2.gz FMEDJWJRMQBGDD-OAQYLSRUSA-N 0 1 395.547 3.729 20 10 GHCDMN C[C@@H]1CCCN(c2ccc(CN[C@@H](c3nnc[nH]3)c3cccnc3)cc2Cl)C1 ZINC000284865053 912059951 /nfs/dbraw/zinc/05/99/51/912059951.db2.gz ASEUEEWJPXEAQW-FOIQADDNSA-N 0 1 396.926 3.969 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3F)cc2)CC1 ZINC001188420332 915931983 /nfs/dbraw/zinc/93/19/83/915931983.db2.gz ZJGUIDRZHATCBZ-UHFFFAOYSA-N 0 1 376.863 3.553 20 10 GHCDMN Cc1cc(Br)cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1O ZINC000775180141 916067223 /nfs/dbraw/zinc/06/72/23/916067223.db2.gz VSLHCFPILMOMKQ-UHFFFAOYSA-N 0 1 391.225 3.537 20 10 GHCDMN CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257011 916666134 /nfs/dbraw/zinc/66/61/34/916666134.db2.gz CSZUCCYAWNNHCI-KRWDZBQOSA-N 0 1 382.504 3.975 20 10 GHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC001191268283 917881959 /nfs/dbraw/zinc/88/19/59/917881959.db2.gz KDEMARHIQJDTMK-MRXNPFEDSA-N 0 1 384.314 3.705 20 10 GHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC001191268283 917881965 /nfs/dbraw/zinc/88/19/65/917881965.db2.gz KDEMARHIQJDTMK-MRXNPFEDSA-N 0 1 384.314 3.705 20 10 GHCDMN CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)ccc1[O-] ZINC000775491593 918310876 /nfs/dbraw/zinc/31/08/76/918310876.db2.gz FILZPGSZZXCCCN-MRXNPFEDSA-N 0 1 393.915 3.731 20 10 GHCDMN CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775491634 918313115 /nfs/dbraw/zinc/31/31/15/918313115.db2.gz GJVHWHVITNKMMV-INIZCTEOSA-N 0 1 382.913 3.537 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2Cl)N1CCC(F)(F)F ZINC001275838606 918365041 /nfs/dbraw/zinc/36/50/41/918365041.db2.gz ZZKIRESEKLHDRV-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c([O-])cccc2Cl)N1CCC(F)(F)F ZINC001275838606 918365048 /nfs/dbraw/zinc/36/50/48/918365048.db2.gz ZZKIRESEKLHDRV-ZIAGYGMSSA-N 0 1 376.806 3.563 20 10 GHCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc3cc[nH]c3cn2)C1 ZINC000653958034 918645532 /nfs/dbraw/zinc/64/55/32/918645532.db2.gz ZISBROQLFKJJIR-UHFFFAOYSA-N 0 1 387.487 3.923 20 10 GHCDMN Cc1cc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)c(C)n1-c1ccccc1 ZINC000115847253 919474692 /nfs/dbraw/zinc/47/46/92/919474692.db2.gz HJXXQVGBKBDPIW-UHFFFAOYSA-N 0 1 387.439 3.939 20 10 GHCDMN COc1ccccc1[C@H](NCc1c(O)ccc(Cl)c1F)c1nccn1C ZINC000365352594 920691706 /nfs/dbraw/zinc/69/17/06/920691706.db2.gz AOGQPYGOBXPCQN-SFHVURJKSA-N 0 1 375.831 3.806 20 10 GHCDMN C[C@H](NCc1ccc2c(c1)ncn2C)c1ccc(N2CCOCC2)cc1Cl ZINC000903204544 922852673 /nfs/dbraw/zinc/85/26/73/922852673.db2.gz SGFLIMJUXQFQBA-HNNXBMFYSA-N 0 1 384.911 3.914 20 10 GHCDMN C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000903425756 923016770 /nfs/dbraw/zinc/01/67/70/923016770.db2.gz OPISZWAGXZCHQR-GFCCVEGCSA-N 0 1 380.897 3.801 20 10 GHCDMN COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)cc1 ZINC000826846728 924239619 /nfs/dbraw/zinc/23/96/19/924239619.db2.gz YLGLFQPQTASAAI-OAHLLOKOSA-N 0 1 377.282 3.532 20 10 GHCDMN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1Br ZINC001276077591 925244871 /nfs/dbraw/zinc/24/48/71/925244871.db2.gz FKUNHUKJNNZOEB-IFXJQAMLSA-N 0 1 395.341 3.910 20 10 GHCDMN CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1Br ZINC001276077591 925244877 /nfs/dbraw/zinc/24/48/77/925244877.db2.gz FKUNHUKJNNZOEB-IFXJQAMLSA-N 0 1 395.341 3.910 20 10 GHCDMN O=C(C[C@@H]1CCC2(CCC2)O1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001137440406 925796239 /nfs/dbraw/zinc/79/62/39/925796239.db2.gz VEVPIYNNFLGCRL-ROUUACIJSA-N 0 1 392.927 3.618 20 10 GHCDMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000373256654 925969264 /nfs/dbraw/zinc/96/92/64/925969264.db2.gz QUVDEVYVJJKMSE-DOTOQJQBSA-N 0 1 375.472 3.574 20 10 GHCDMN Cc1cc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1N1CCCCC1 ZINC000827807648 926046262 /nfs/dbraw/zinc/04/62/62/926046262.db2.gz GHQIFLNVUQFIFQ-GOSISDBHSA-N 0 1 383.458 3.580 20 10 GHCDMN Cc1cc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1N1CCCCC1 ZINC000827807648 926046270 /nfs/dbraw/zinc/04/62/70/926046270.db2.gz GHQIFLNVUQFIFQ-GOSISDBHSA-N 0 1 383.458 3.580 20 10 GHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000726592065 926748536 /nfs/dbraw/zinc/74/85/36/926748536.db2.gz DKZZAJAETIVTEL-UHFFFAOYSA-N 0 1 387.443 3.765 20 10 GHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000750820225 927872372 /nfs/dbraw/zinc/87/23/72/927872372.db2.gz MLUUBEDMFWCYNV-GOSISDBHSA-N 0 1 385.357 3.750 20 10 GHCDMN CCCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccccc1O ZINC000750874682 927909906 /nfs/dbraw/zinc/90/99/06/927909906.db2.gz FWTCHZISKFVXQH-UHFFFAOYSA-N 0 1 396.466 3.876 20 10 GHCDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781905391 931021470 /nfs/dbraw/zinc/02/14/70/931021470.db2.gz OBGMEIPANBODOX-GJZGRUSLSA-N 0 1 397.357 3.980 20 10 GHCDMN CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000782015115 931061423 /nfs/dbraw/zinc/06/14/23/931061423.db2.gz RRECNELKXXVCAB-ATZDWAIDSA-N 0 1 394.943 3.722 20 10 GHCDMN O=C([N-]CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1)C(F)(F)F ZINC000798956317 932838393 /nfs/dbraw/zinc/83/83/93/932838393.db2.gz RJANHJCAHCZUGR-UHFFFAOYSA-N 0 1 392.421 3.950 20 10 GHCDMN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000799536432 933029474 /nfs/dbraw/zinc/02/94/74/933029474.db2.gz COYVHCHJRSVWFB-UHFFFAOYSA-N 0 1 377.462 3.802 20 10 GHCDMN CCOC(=O)c1cc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n[nH]1 ZINC001116521894 933608016 /nfs/dbraw/zinc/60/80/16/933608016.db2.gz ZAZVTYAPOKUVGJ-UHFFFAOYSA-N 0 1 386.839 3.900 20 10 GHCDMN COCc1cnc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)s1 ZINC000561054467 933823989 /nfs/dbraw/zinc/82/39/89/933823989.db2.gz SBAXZYGVEDRJGC-UHFFFAOYSA-N 0 1 398.532 3.649 20 10 GHCDMN COC1CCN(c2ccc(CN3CCO[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000828729412 935695190 /nfs/dbraw/zinc/69/51/90/935695190.db2.gz HMXBROGGLQEXGY-XMMPIXPASA-N 0 1 380.532 3.745 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H](C)CC3)cc2F)CC1 ZINC001226824880 1032145927 /nfs/dbraw/zinc/14/59/27/1032145927.db2.gz KPJYDCPBVZAJQN-PKOBYXMFSA-N 0 1 390.547 3.736 20 10 GHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CCC=C(C)C)cc2F)CC1 ZINC001226825535 1032146390 /nfs/dbraw/zinc/14/63/90/1032146390.db2.gz NQLTUAWFXRJLCD-SFHVURJKSA-N 0 1 390.547 3.902 20 10 GHCDMN NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCc4c(Cl)ccnc43)cc2)C1 ZINC000924729910 1017008955 /nfs/dbraw/zinc/00/89/55/1017008955.db2.gz PNIYTLJIAGZPHJ-OXJNMPFZSA-N 0 1 398.938 3.604 20 10 GHCDMN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1CCCC1 ZINC001221071493 1032266845 /nfs/dbraw/zinc/26/68/45/1032266845.db2.gz QQNVIHHBNARCDD-LPHOPBHVSA-N 0 1 383.492 3.598 20 10 GHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277212517 1032434872 /nfs/dbraw/zinc/43/48/72/1032434872.db2.gz CZFBBEIQBPTEBB-QGZVFWFLSA-N 0 1 390.833 3.731 20 10 GHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)cc1Cl ZINC001277212517 1032434878 /nfs/dbraw/zinc/43/48/78/1032434878.db2.gz CZFBBEIQBPTEBB-QGZVFWFLSA-N 0 1 390.833 3.731 20 10 GHCDMN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CCOc3ccccc32)c1O ZINC001227493428 1032440005 /nfs/dbraw/zinc/44/00/05/1032440005.db2.gz GPINWFZGZLNULR-CYBMUJFWSA-N 0 1 392.429 3.710 20 10 GHCDMN COc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657789 1032506772 /nfs/dbraw/zinc/50/67/72/1032506772.db2.gz MZCGVPAIXJSRBD-ZDUSSCGKSA-N 0 1 399.443 3.618 20 10 GHCDMN O=C1CCCC[C@@H]1Oc1cc(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227658396 1032507355 /nfs/dbraw/zinc/50/73/55/1032507355.db2.gz KZBSSITVRFMQBW-AWEZNQCLSA-N 0 1 396.351 3.700 20 10 GHCDMN O=c1oc2cc(O)cc(OC[C@@H]3CCCCO3)c2c2oc3cc(O)c(O)cc3c21 ZINC001227658356 1032507496 /nfs/dbraw/zinc/50/74/96/1032507496.db2.gz KSBOMGCERZYNAK-NSHDSACASA-N 0 1 398.367 3.757 20 10 GHCDMN CO[C@@H](CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1)c1ccccc1 ZINC001204328776 1032771544 /nfs/dbraw/zinc/77/15/44/1032771544.db2.gz MCFLLFRBFJXIPD-DEOSSOPVSA-N 0 1 379.548 3.792 20 10 GHCDMN Oc1ccccc1CN(Cc1cccc(Br)n1)C[C@H]1CCCO1 ZINC000779432870 1020772130 /nfs/dbraw/zinc/77/21/30/1020772130.db2.gz KRSHOMFBJMPANR-MRXNPFEDSA-N 0 1 377.282 3.731 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3ncc(Cl)cc3F)CC2)cc1 ZINC001156256866 1032945429 /nfs/dbraw/zinc/94/54/29/1032945429.db2.gz KWSJXDLPIIZBMN-UHFFFAOYSA-N 0 1 378.879 3.507 20 10 GHCDMN COc1ccc(N2CCN(CCCNc3cc4ccccc4cn3)CC2)cc1 ZINC001156256800 1032945536 /nfs/dbraw/zinc/94/55/36/1032945536.db2.gz HOLLRXSCANSETO-UHFFFAOYSA-N 0 1 376.504 3.868 20 10 GHCDMN O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O[C@H](c1cccnc1)C1CC1 ZINC001228519835 1032968452 /nfs/dbraw/zinc/96/84/52/1032968452.db2.gz SSOYQFQFRBBIRC-QFIPXVFZSA-N 0 1 393.395 3.665 20 10 GHCDMN C[C@@]1(c2ccc(F)cc2)CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC001140288092 1021322679 /nfs/dbraw/zinc/32/26/79/1021322679.db2.gz MMQMMODVLSAION-QHCPKHFHSA-N 0 1 384.495 3.534 20 10 GHCDMN COC1CCN(c2ccc(Cn3cc(CN(C(C)C)C(C)C)nn3)cc2)CC1 ZINC000900569940 1021330965 /nfs/dbraw/zinc/33/09/65/1021330965.db2.gz SMAPVQXSSQKNOE-UHFFFAOYSA-N 0 1 385.556 3.560 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c([O-])cccc3Cl)C[C@H]12 ZINC001140339285 1021446350 /nfs/dbraw/zinc/44/63/50/1021446350.db2.gz HNOMDERHWFTPKO-FCHUYYIVSA-N 0 1 384.907 3.810 20 10 GHCDMN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@H]12 ZINC001140339285 1021446361 /nfs/dbraw/zinc/44/63/61/1021446361.db2.gz HNOMDERHWFTPKO-FCHUYYIVSA-N 0 1 384.907 3.810 20 10 GHCDMN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc2ccccc2c1[O-] ZINC000834910163 1021672559 /nfs/dbraw/zinc/67/25/59/1021672559.db2.gz FXWQLSYUAVLUDO-DOTOQJQBSA-N 0 1 386.492 3.832 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(Cl)cc4[O-])C3)CC2=O)cc1 ZINC001140462819 1021753506 /nfs/dbraw/zinc/75/35/06/1021753506.db2.gz LNNIYTKHASSFPN-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN COc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4[O-])C3)CC2=O)cc1 ZINC001140462819 1021753519 /nfs/dbraw/zinc/75/35/19/1021753519.db2.gz LNNIYTKHASSFPN-NRFANRHFSA-N 0 1 386.879 3.683 20 10 GHCDMN CN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)Cc1cccnc1 ZINC001140474593 1021770080 /nfs/dbraw/zinc/77/00/80/1021770080.db2.gz QJAANKWZQSSQRE-UHFFFAOYSA-N 0 1 396.535 3.771 20 10 GHCDMN CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2O)[nH]1 ZINC001204681020 1033028800 /nfs/dbraw/zinc/02/88/00/1033028800.db2.gz HKZBOVUJFULAHZ-UHFFFAOYSA-N 0 1 381.270 3.682 20 10 GHCDMN COc1ccc(N2CCOC[C@]3(CCCN(Cc4c(N)cccc4F)C3)C2)cc1 ZINC001140872483 1022758152 /nfs/dbraw/zinc/75/81/52/1022758152.db2.gz BPFQPXIYVJLYJK-QHCPKHFHSA-N 0 1 399.510 3.536 20 10 GHCDMN CN(C)c1ccc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(Cl)c1 ZINC001140924438 1022901118 /nfs/dbraw/zinc/90/11/18/1022901118.db2.gz OTQPIGDMZRTMHM-PZJWPPBQSA-N 0 1 378.944 3.956 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)Cc3nc(-c4cccc(F)c4)no3)cc12 ZINC001204834971 1033113206 /nfs/dbraw/zinc/11/32/06/1033113206.db2.gz QXVZAGMKJGPSMH-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)Cc3nc(-c4cccc(F)c4)no3)cc12 ZINC001204834971 1033113213 /nfs/dbraw/zinc/11/32/13/1033113213.db2.gz QXVZAGMKJGPSMH-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN Cc1cc(=O)oc2cc(O)c(CN(C)Cc3nc(-c4cccc(F)c4)no3)cc12 ZINC001204834971 1033113217 /nfs/dbraw/zinc/11/32/17/1033113217.db2.gz QXVZAGMKJGPSMH-UHFFFAOYSA-N 0 1 395.390 3.628 20 10 GHCDMN CCOC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2cnn(CC)c21 ZINC001141074773 1023433915 /nfs/dbraw/zinc/43/39/15/1023433915.db2.gz BEMSFAZSCGSXCU-QFIPXVFZSA-N 0 1 394.563 3.738 20 10 GHCDMN CN1CCOc2cc(CN3CCC4(CC(=O)c5ccc(F)cc54)CC3)ccc21 ZINC001141142190 1023573378 /nfs/dbraw/zinc/57/33/78/1023573378.db2.gz JBKRUPMTAJZPMN-UHFFFAOYSA-N 0 1 380.463 3.775 20 10 GHCDMN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000756456686 1023662069 /nfs/dbraw/zinc/66/20/69/1023662069.db2.gz FMDGQKQXQACOEI-ZDUSSCGKSA-N 0 1 377.282 3.544 20 10 GHCDMN C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000756805648 1023822208 /nfs/dbraw/zinc/82/22/08/1023822208.db2.gz RUCCAXSMGSDAJO-ZDUSSCGKSA-N 0 1 389.446 3.541 20 10 GHCDMN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(N5CCCCC5)cc4)C[C@H]3O2)n1 ZINC001138215678 1024380610 /nfs/dbraw/zinc/38/06/10/1024380610.db2.gz OFJDAPGJKZRPOO-SESVDKBCSA-N 0 1 382.508 3.720 20 10 GHCDMN C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000837486283 1024495512 /nfs/dbraw/zinc/49/55/12/1024495512.db2.gz WVKYFQRIFCQRNS-RISCZKNCSA-N 0 1 378.822 3.715 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001141367619 1024741449 /nfs/dbraw/zinc/74/14/49/1024741449.db2.gz IJISPNKYKBTZGR-UHFFFAOYSA-N 0 1 382.685 3.859 20 10 GHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCc2cc(CO)ccc2C1 ZINC001141367619 1024741459 /nfs/dbraw/zinc/74/14/59/1024741459.db2.gz IJISPNKYKBTZGR-UHFFFAOYSA-N 0 1 382.685 3.859 20 10 GHCDMN Cc1nccnc1O[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374626 1024767175 /nfs/dbraw/zinc/76/71/75/1024767175.db2.gz LLFVZHFMBGLQKG-ZDUSSCGKSA-N 0 1 398.688 3.560 20 10 GHCDMN Brc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1N1CCCCC1 ZINC000839069156 1025560430 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SZJVOTNZDSUTNF-FVCICTRLSA-N 0 1 381.303 3.555 20 10 GHCDMN CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001288329840 1049044539 /nfs/dbraw/zinc/04/45/39/1049044539.db2.gz GZWTVBPOEQCEKV-UHFFFAOYSA-N 0 1 379.548 3.595 20 10 GHCDMN CN1CCN(c2ccc(CNC(=O)c3cccc(OC(C)(C)C)c3)cc2)CC1 ZINC001288334962 1049048522 /nfs/dbraw/zinc/04/85/22/1049048522.db2.gz VFWVEBNYHZRNCK-UHFFFAOYSA-N 0 1 381.520 3.546 20 10 GHCDMN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 ZINC001290324748 1049802801 /nfs/dbraw/zinc/80/28/01/1049802801.db2.gz XOKPEWSWHKOSDN-UHFFFAOYSA-N 0 1 377.492 3.514 20 10 GHCDMN CCOCc1cc(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)ccc1OC ZINC001308434839 1049975343 /nfs/dbraw/zinc/97/53/43/1049975343.db2.gz ZTDJDEZHZHGSTD-MJGOQNOKSA-N 0 1 377.506 3.656 20 10 GHCDMN CN1C(=O)N[C@](C)(c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)C1=O ZINC001308449543 1049979273 /nfs/dbraw/zinc/97/92/73/1049979273.db2.gz XUIFEYCTDCPOFN-GOSISDBHSA-N 0 1 394.258 3.708 20 10 GHCDMN 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392.503 3.530 20 10 GHCDMN C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000848560105 1057179545 /nfs/dbraw/zinc/17/95/45/1057179545.db2.gz YKWJKTVXJCZEML-YCRPNKLZSA-N 0 1 399.922 3.781 20 10 GHCDMN CCN(Cc1ccccc1)c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000848561644 1057179929 /nfs/dbraw/zinc/17/99/29/1057179929.db2.gz AXCQMNAIANBHQC-OAQYLSRUSA-N 0 1 391.519 3.973 20 10 GHCDMN O=C1Nc2ccccc2CC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000848560599 1057180150 /nfs/dbraw/zinc/18/01/50/1057180150.db2.gz HGXOGOUGQZDXKO-IBGZPJMESA-N 0 1 394.475 3.628 20 10 GHCDMN CC[C@H]1CCCC[C@@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001356065394 1057374718 /nfs/dbraw/zinc/37/47/18/1057374718.db2.gz LYEFAKOEHSIZJN-UGKGYDQZSA-N 0 1 387.568 3.540 20 10 GHCDMN CN(C)c1ccc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C(F)(F)F)c1 ZINC000848921370 1057423331 /nfs/dbraw/zinc/42/33/31/1057423331.db2.gz RYZCBRGXZMEFOY-QGZVFWFLSA-N 0 1 383.458 3.508 20 10 GHCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC001449122782 1060334998 /nfs/dbraw/zinc/33/49/98/1060334998.db2.gz QTDBNJXSMHVUPI-LJQANCHMSA-N 0 1 399.531 3.796 20 10 GHCDMN O=C(Cc1ccccc1N1CCCC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC001450721144 1060666311 /nfs/dbraw/zinc/66/63/11/1060666311.db2.gz LLOQKPKZOSAISI-UHFFFAOYSA-N 0 1 393.270 3.685 20 10 GHCDMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001465952266 1065936077 /nfs/dbraw/zinc/93/60/77/1065936077.db2.gz ZEBNRKKDUUZGRQ-FJWRHQQOSA-N 0 1 376.928 3.808 20 10 GHCDMN C[C@H](CC[NH2+]Cc1c([O-])cccc1Br)N(C)C(=O)OC(C)(C)C ZINC001200365371 1065993093 /nfs/dbraw/zinc/99/30/93/1065993093.db2.gz KOTJIMJGYNIXNS-GFCCVEGCSA-N 0 1 387.318 3.890 20 10 GHCDMN CC(=O)Nc1sc(NC(=O)c2c(F)ccc(O)c2O)nc1-c1ccccc1 ZINC001472548176 1073544755 /nfs/dbraw/zinc/54/47/55/1073544755.db2.gz OTWKGJHVOBWUBS-UHFFFAOYSA-N 0 1 387.392 3.571 20 10 GHCDMN COC(=O)c1cnc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)cn1 ZINC001473288636 1073907746 /nfs/dbraw/zinc/90/77/46/1073907746.db2.gz CZJJKIILKMDZAR-MRXNPFEDSA-N 0 1 377.444 3.732 20 10 GHCDMN COc1ccc(Cl)cc1[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC001474146721 1074277047 /nfs/dbraw/zinc/27/70/47/1074277047.db2.gz ZVTHAKYNQVZRJP-OAHLLOKOSA-N 0 1 386.673 3.640 20 10 GHCDMN CN(CCC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-])Cc1ccco1 ZINC001474510203 1074440605 /nfs/dbraw/zinc/44/06/05/1074440605.db2.gz YUNMSUGQIOLCNN-UHFFFAOYSA-N 0 1 385.277 3.841 20 10 GHCDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Br)cc(F)c1[O-] ZINC001474517525 1074444735 /nfs/dbraw/zinc/44/47/35/1074444735.db2.gz VILRHWFXRBVBDS-UHFFFAOYSA-N 0 1 383.217 3.877 20 10 GHCDMN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001474558047 1074462079 /nfs/dbraw/zinc/46/20/79/1074462079.db2.gz PGPWHGMRIRFIFA-GFCCVEGCSA-N 0 1 391.693 3.519 20 10 GHCDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001474558047 1074462083 /nfs/dbraw/zinc/46/20/83/1074462083.db2.gz PGPWHGMRIRFIFA-GFCCVEGCSA-N 0 1 391.693 3.519 20 10 GHCDMN CC(C)c1ccc(O)c(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC001474628715 1074490133 /nfs/dbraw/zinc/49/01/33/1074490133.db2.gz NVXYSSNOZIXGNZ-FQEVSTJZSA-N 0 1 388.533 3.922 20 10 GHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000740095641 600125445 /nfs/dbraw/zinc/12/54/45/600125445.db2.gz CYWSSIQIAQXFFV-HXUWFJFHSA-N 0 1 381.403 3.956 20 10 GHCDMN CC(C)c1nc2c(n1C)CC[N@@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000736524058 600426534 /nfs/dbraw/zinc/42/65/34/600426534.db2.gz GZXSOPHFBYRLIE-UHFFFAOYSA-N 0 1 379.460 3.659 20 10 GHCDMN Oc1ccccc1CN(Cc1ccco1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000823732011 607067114 /nfs/dbraw/zinc/06/71/14/607067114.db2.gz IHHGXRUAJCZWQC-UHFFFAOYSA-N 0 1 379.395 3.507 20 10 GHCDMN