smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCC)c1ccc(CN[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000894771824 1013481426 /nfs/dbraw/zinc/48/14/26/1013481426.db2.gz XPEUTVZBSXDNAZ-CQSZACIVSA-N 0 1 315.465 3.590 20 10 DHCDMN CC1(C)CN(Cc2cc(F)cc(F)c2O)[C@@H]1c1ccncc1 ZINC000894856578 1013545823 /nfs/dbraw/zinc/54/58/23/1013545823.db2.gz YPEAOYBFOQDIJO-MRXNPFEDSA-N 0 1 304.340 3.649 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc(CF)cc3)cc2)CC1 ZINC001167430992 1014297286 /nfs/dbraw/zinc/29/72/86/1014297286.db2.gz ANOGIFXUDHSNFW-UHFFFAOYSA-N 0 1 313.420 3.520 20 10 DHCDMN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(C)c1F ZINC001143385450 1014460232 /nfs/dbraw/zinc/46/02/32/1014460232.db2.gz SMCVBGFJGMWZSA-UHFFFAOYSA-N 0 1 315.388 3.802 20 10 DHCDMN Cc1cc(O)c(CNCc2cnc(Cl)s2)c(Cl)c1 ZINC000895151460 1014626247 /nfs/dbraw/zinc/62/62/47/1014626247.db2.gz JKBCQEKGABHGBQ-UHFFFAOYSA-N 0 1 303.214 3.754 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cnc(Cl)s2)c(Cl)c1 ZINC000895151460 1014626250 /nfs/dbraw/zinc/62/62/50/1014626250.db2.gz JKBCQEKGABHGBQ-UHFFFAOYSA-N 0 1 303.214 3.754 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000706842134 1014653514 /nfs/dbraw/zinc/65/35/14/1014653514.db2.gz OAMLCHAHNUUBDB-SECBINFHSA-N 0 1 320.177 3.822 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000192178625 1014710492 /nfs/dbraw/zinc/71/04/92/1014710492.db2.gz QHZXYSHNCYXRAY-SNVBAGLBSA-N 0 1 313.850 3.576 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@H](C)CC2)c1[O-] ZINC000192178625 1014710512 /nfs/dbraw/zinc/71/05/12/1014710512.db2.gz QHZXYSHNCYXRAY-SNVBAGLBSA-N 0 1 313.850 3.576 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595891260 982925410 /nfs/dbraw/zinc/92/54/10/982925410.db2.gz QSUZGKHLSCRUSM-NSHDSACASA-N 0 1 320.414 3.520 20 10 DHCDMN CCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1C ZINC001595961366 983159446 /nfs/dbraw/zinc/15/94/46/983159446.db2.gz YQILGCJRQBZERX-MRXNPFEDSA-N 0 1 319.426 3.761 20 10 DHCDMN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000320218992 1015119367 /nfs/dbraw/zinc/11/93/67/1015119367.db2.gz SOVGDGGBXCBICU-LSDHHAIUSA-N 0 1 300.446 3.925 20 10 DHCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000320218989 1015119716 /nfs/dbraw/zinc/11/97/16/1015119716.db2.gz SOVGDGGBXCBICU-CABCVRRESA-N 0 1 300.446 3.925 20 10 DHCDMN COc1cc(C)cc(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895690308 1015258633 /nfs/dbraw/zinc/25/86/33/1015258633.db2.gz FOBCTDGNMPPPDS-FUHWJXTLSA-N 0 1 315.388 3.824 20 10 DHCDMN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1[O-] ZINC001140464426 1015507435 /nfs/dbraw/zinc/50/74/35/1015507435.db2.gz PDJSDZMZIJCSRM-UHFFFAOYSA-N 0 1 319.788 3.796 20 10 DHCDMN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1[O-] ZINC001140464426 1015507445 /nfs/dbraw/zinc/50/74/45/1015507445.db2.gz PDJSDZMZIJCSRM-UHFFFAOYSA-N 0 1 319.788 3.796 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896228878 1015512612 /nfs/dbraw/zinc/51/26/12/1015512612.db2.gz VKEBVUQTQZOMGU-GFCCVEGCSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896228878 1015512619 /nfs/dbraw/zinc/51/26/19/1015512619.db2.gz VKEBVUQTQZOMGU-GFCCVEGCSA-N 0 1 323.717 3.912 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccn2)C2CC2)cc1Cl ZINC000896607988 1015677887 /nfs/dbraw/zinc/67/78/87/1015677887.db2.gz BYNQUVQCPKYXIQ-KRWDZBQOSA-N 0 1 302.805 3.990 20 10 DHCDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000896660639 1015694976 /nfs/dbraw/zinc/69/49/76/1015694976.db2.gz AIVFGAUNMVQCRL-UHFFFAOYSA-N 0 1 306.356 3.724 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCS1 ZINC000896953185 1016958220 /nfs/dbraw/zinc/95/82/20/1016958220.db2.gz WBZMNMLUCQYUQW-SKDRFNHKSA-N 0 1 316.264 3.528 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2c(F)cccc2OC)c1 ZINC000185566682 1017015300 /nfs/dbraw/zinc/01/53/00/1017015300.db2.gz NURZQKQGXVFRGW-NWDGAFQWSA-N 0 1 319.376 3.960 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185652347 1017081350 /nfs/dbraw/zinc/08/13/50/1017081350.db2.gz AKZNWZBZBYTWRF-YJBOKZPZSA-N 0 1 321.420 3.972 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000185672248 1017093410 /nfs/dbraw/zinc/09/34/10/1017093410.db2.gz CJEOJMHLHDMPBJ-DZKIICNBSA-N 0 1 310.441 3.821 20 10 DHCDMN Cc1cc(CCNCc2cscn2)c(C)n1-c1ccccc1 ZINC000857761192 1032674703 /nfs/dbraw/zinc/67/47/03/1032674703.db2.gz GRNAQNVSIVDLFW-UHFFFAOYSA-N 0 1 311.454 3.883 20 10 DHCDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000192854285 1017123453 /nfs/dbraw/zinc/12/34/53/1017123453.db2.gz WQLZIKDSAHWXMR-QWHCGFSZSA-N 0 1 309.413 3.999 20 10 DHCDMN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000840859638 1017208005 /nfs/dbraw/zinc/20/80/05/1017208005.db2.gz LDVNJSLMNICEHQ-WCABBAIRSA-N 0 1 316.264 3.699 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716251364 1032693186 /nfs/dbraw/zinc/69/31/86/1032693186.db2.gz AKQCKKMETPKZEM-UHFFFAOYSA-N 0 1 317.816 3.883 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278216928 1018378993 /nfs/dbraw/zinc/37/89/93/1018378993.db2.gz LCUCWYSFLQNRAA-LBPRGKRZSA-N 0 1 316.357 3.502 20 10 DHCDMN C[C@H]1OCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1C ZINC000765099356 1018474766 /nfs/dbraw/zinc/47/47/66/1018474766.db2.gz PDTDAWMFSBNCHV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1OCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1C ZINC000765099356 1018474771 /nfs/dbraw/zinc/47/47/71/1018474771.db2.gz PDTDAWMFSBNCHV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1OCCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1C ZINC000765099356 1018474779 /nfs/dbraw/zinc/47/47/79/1018474779.db2.gz PDTDAWMFSBNCHV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN COc1cccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858100351 1032767419 /nfs/dbraw/zinc/76/74/19/1032767419.db2.gz FFIALFCIJAVUAT-GFCCVEGCSA-N 0 1 320.383 3.890 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccncc2Cl)cc1 ZINC000858100270 1032767647 /nfs/dbraw/zinc/76/76/47/1032767647.db2.gz AZHCFNGMWZPPKE-UHFFFAOYSA-N 0 1 303.837 3.871 20 10 DHCDMN COc1ccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858116742 1032773831 /nfs/dbraw/zinc/77/38/31/1032773831.db2.gz WNQKFRFOCTYMGI-GFCCVEGCSA-N 0 1 320.383 3.890 20 10 DHCDMN CN(C)c1cc(F)c(CNC2(c3ccccc3)CC2)cc1F ZINC000858132441 1032776907 /nfs/dbraw/zinc/77/69/07/1032776907.db2.gz DLBXDHRHWUXPLW-UHFFFAOYSA-N 0 1 302.368 3.810 20 10 DHCDMN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccncc1 ZINC000858144987 1032779234 /nfs/dbraw/zinc/77/92/34/1032779234.db2.gz WSKJXXFJZYMNQG-INIZCTEOSA-N 0 1 305.372 3.667 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)CC(F)F ZINC000706857862 1018764145 /nfs/dbraw/zinc/76/41/45/1018764145.db2.gz JRKNDNNVBZFCKM-QMMMGPOBSA-N 0 1 308.166 3.536 20 10 DHCDMN CS[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134937328 1019051476 /nfs/dbraw/zinc/05/14/76/1019051476.db2.gz SSEHJMSMWCPMPV-DTWKUNHWSA-N 0 1 304.253 3.557 20 10 DHCDMN CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2C)c1O ZINC000387256909 1019063651 /nfs/dbraw/zinc/06/36/51/1019063651.db2.gz DWQHTPLHESRIGZ-UHFFFAOYSA-N 0 1 301.361 3.674 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800286136 1019131777 /nfs/dbraw/zinc/13/17/77/1019131777.db2.gz IJZJCCCEEFRMOS-OAHLLOKOSA-N 0 1 308.208 3.956 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1[N+](=O)[O-] ZINC000921966635 1019230672 /nfs/dbraw/zinc/23/06/72/1019230672.db2.gz LXXLYSVMRDJSIM-ZDUSSCGKSA-N 0 1 312.369 3.771 20 10 DHCDMN Cc1cnc(Cl)c(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000921625312 1019297965 /nfs/dbraw/zinc/29/79/65/1019297965.db2.gz KSTQCTJHLWNSRT-UHFFFAOYSA-N 0 1 315.848 3.716 20 10 DHCDMN CO[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000728049212 1019866308 /nfs/dbraw/zinc/86/63/08/1019866308.db2.gz BMVLZAJMXIEPTK-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CO[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000728049212 1019866321 /nfs/dbraw/zinc/86/63/21/1019866321.db2.gz BMVLZAJMXIEPTK-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN COc1ccc(C2([NH2+]Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000731678730 1020139699 /nfs/dbraw/zinc/13/96/99/1020139699.db2.gz JMAPAAHDSNLHGX-UHFFFAOYSA-N 0 1 303.789 3.833 20 10 DHCDMN CN(C)c1ccc(CNC2(c3ccc(F)cc3)CC2)cc1F ZINC000733328541 1020377252 /nfs/dbraw/zinc/37/72/52/1020377252.db2.gz SIINMVQSMVICOR-UHFFFAOYSA-N 0 1 302.368 3.810 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000858543158 1032939288 /nfs/dbraw/zinc/93/92/88/1032939288.db2.gz QMAMSYBLPKKEDZ-OAHLLOKOSA-N 0 1 308.429 3.678 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924573897 1020921802 /nfs/dbraw/zinc/92/18/02/1020921802.db2.gz LFMCAQFIRKPRKK-MRXNPFEDSA-N 0 1 301.821 3.578 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000858544096 1032941847 /nfs/dbraw/zinc/94/18/47/1032941847.db2.gz YLPPBPJLYAMGGT-MRXNPFEDSA-N 0 1 322.456 3.987 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000742160122 1021096305 /nfs/dbraw/zinc/09/63/05/1021096305.db2.gz BFULCDSDPCJHRR-OAQYLSRUSA-N 0 1 323.436 3.763 20 10 DHCDMN CC[C@@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875143 1021182135 /nfs/dbraw/zinc/18/21/35/1021182135.db2.gz NPDHORUTMSUCSE-DZGCQCFKSA-N 0 1 314.433 3.512 20 10 DHCDMN Cc1csc([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000877813681 1033463987 /nfs/dbraw/zinc/46/39/87/1033463987.db2.gz NPALWDKCVKGYBT-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1csc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000877813681 1033463999 /nfs/dbraw/zinc/46/39/99/1033463999.db2.gz NPALWDKCVKGYBT-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN CC1(C)[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1(F)F ZINC000850393500 1021505414 /nfs/dbraw/zinc/50/54/14/1021505414.db2.gz CYJHOBQGWVBDJD-NSHDSACASA-N 0 1 320.177 3.536 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850374255 1021497766 /nfs/dbraw/zinc/49/77/66/1021497766.db2.gz LERFLPCYDIXDSZ-NVXWUHKLSA-N 0 1 303.789 3.622 20 10 DHCDMN CCCOc1ncccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000154696034 1021499638 /nfs/dbraw/zinc/49/96/38/1021499638.db2.gz JQPANJHMIZXKOX-OAHLLOKOSA-N 0 1 313.445 3.787 20 10 DHCDMN COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850505617 1021566895 /nfs/dbraw/zinc/56/68/95/1021566895.db2.gz UFEYLSPPWGPCKW-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@H]([NH2+]CCC(C)(C)F)c1cc(Br)ccc1[O-] ZINC000850531967 1021584381 /nfs/dbraw/zinc/58/43/81/1021584381.db2.gz PJZRWXQZRQXTQW-VIFPVBQESA-N 0 1 304.203 3.944 20 10 DHCDMN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)ccc1[O-] ZINC000850531099 1021584419 /nfs/dbraw/zinc/58/44/19/1021584419.db2.gz AKTVYSYKGZTUBH-FZZIBODNSA-N 0 1 317.763 3.511 20 10 DHCDMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC000109773306 1021745720 /nfs/dbraw/zinc/74/57/20/1021745720.db2.gz WXCDMXJRVAABMV-GFCCVEGCSA-N 0 1 318.804 3.505 20 10 DHCDMN CCC[C@H](C)C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756389600 1022227785 /nfs/dbraw/zinc/22/77/85/1022227785.db2.gz PVMOAYAKVGKZQW-JOYOIKCWSA-N 0 1 317.788 3.554 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854226871 1022435510 /nfs/dbraw/zinc/43/55/10/1022435510.db2.gz SAPLXXPYHGINED-MGPLVRAMSA-N 0 1 302.805 3.966 20 10 DHCDMN COc1ccc(O)c(CN(Cc2ccccc2OC)C2CC2)c1 ZINC000179679430 1022506925 /nfs/dbraw/zinc/50/69/25/1022506925.db2.gz OHTFCBKYPBJMIL-UHFFFAOYSA-N 0 1 313.397 3.574 20 10 DHCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N1CCC(C)CC1 ZINC000756502337 1022564312 /nfs/dbraw/zinc/56/43/12/1022564312.db2.gz HCAZQKOXGSIFLW-KGLIPLIRSA-N 0 1 310.869 3.817 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689882362 1022704136 /nfs/dbraw/zinc/70/41/36/1022704136.db2.gz OIVGIHIWLXCXTM-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)CSC)c1cc(Br)ccc1[O-] ZINC000137415002 1022719619 /nfs/dbraw/zinc/71/96/19/1022719619.db2.gz DDCLPTXWXJPBHK-JOYOIKCWSA-N 0 1 318.280 3.947 20 10 DHCDMN Cc1cccc(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1O ZINC000180414515 1022724941 /nfs/dbraw/zinc/72/49/41/1022724941.db2.gz ZWTLXWGUMIQNLW-GOSISDBHSA-N 0 1 315.388 3.722 20 10 DHCDMN CCOc1cccc(CN(CC)Cc2ccc(N(C)C)cc2)n1 ZINC000768132708 1022901156 /nfs/dbraw/zinc/90/11/56/1022901156.db2.gz IRFKXQPZAINLOV-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)cc1[O-] ZINC000857081687 1022946685 /nfs/dbraw/zinc/94/66/85/1022946685.db2.gz QDHKPYVNNOCNQM-DTWKUNHWSA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H](C1CC1)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768532044 1022982581 /nfs/dbraw/zinc/98/25/81/1022982581.db2.gz HGGOUDCRKCBPSF-SECBINFHSA-N 0 1 310.781 3.717 20 10 DHCDMN COc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)CC2 ZINC000769119559 1023086191 /nfs/dbraw/zinc/08/61/91/1023086191.db2.gz CFGJPOFYESBELC-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN COc1cccc(O)c1CN(C)[C@H](C)c1sc(C)nc1C ZINC000769380290 1023135387 /nfs/dbraw/zinc/13/53/87/1023135387.db2.gz FWYPTWNSZMPOPD-LLVKDONJSA-N 0 1 306.431 3.667 20 10 DHCDMN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756606206 1023166313 /nfs/dbraw/zinc/16/63/13/1023166313.db2.gz WOSKIDWVQOPBLS-MLGOLLRUSA-N 0 1 305.805 3.820 20 10 DHCDMN CCOc1cccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1O ZINC000769504291 1023168979 /nfs/dbraw/zinc/16/89/79/1023168979.db2.gz SHHNOPCFZAIKNG-HXUWFJFHSA-N 0 1 311.425 3.955 20 10 DHCDMN CN(C)c1cccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC000769537989 1023175965 /nfs/dbraw/zinc/17/59/65/1023175965.db2.gz OGBKQUKOKCCXPY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC000769537989 1023175968 /nfs/dbraw/zinc/17/59/68/1023175968.db2.gz OGBKQUKOKCCXPY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)c2c1c(F)ccc2[O-] ZINC000756624952 1023236793 /nfs/dbraw/zinc/23/67/93/1023236793.db2.gz HZAPTQOGTKCMSP-TZMCWYRMSA-N 0 1 307.409 3.612 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000769986014 1023255459 /nfs/dbraw/zinc/25/54/59/1023255459.db2.gz GIRDETNIPZVADQ-GUYCJALGSA-N 0 1 304.459 3.588 20 10 DHCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770668240 1023335883 /nfs/dbraw/zinc/33/58/83/1023335883.db2.gz XDMXELMKKDWVEM-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770668240 1023335887 /nfs/dbraw/zinc/33/58/87/1023335887.db2.gz XDMXELMKKDWVEM-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770668240 1023335892 /nfs/dbraw/zinc/33/58/92/1023335892.db2.gz XDMXELMKKDWVEM-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])n1 ZINC000876739509 1033130966 /nfs/dbraw/zinc/13/09/66/1033130966.db2.gz JGISHYCQQVKYFO-OAHLLOKOSA-N 0 1 304.340 3.711 20 10 DHCDMN CO[C@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786952270 1023739919 /nfs/dbraw/zinc/73/99/19/1023739919.db2.gz ZSLVKKANGUKMEU-QPUJVOFHSA-N 0 1 311.731 3.664 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000746717648 1023834240 /nfs/dbraw/zinc/83/42/40/1023834240.db2.gz YQRVHNRZLSXFNW-QGZVFWFLSA-N 0 1 304.393 3.930 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000746717648 1023834248 /nfs/dbraw/zinc/83/42/48/1023834248.db2.gz YQRVHNRZLSXFNW-QGZVFWFLSA-N 0 1 304.393 3.930 20 10 DHCDMN C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788979434 1023969115 /nfs/dbraw/zinc/96/91/15/1023969115.db2.gz GOMXCQNIEXJWNP-NSHDSACASA-N 0 1 322.311 3.743 20 10 DHCDMN OCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000789572702 1024117417 /nfs/dbraw/zinc/11/74/17/1024117417.db2.gz UXSMWVJQGRHBQF-UHFFFAOYSA-N 0 1 312.196 3.698 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cn3ccsc3n2)cc1 ZINC000268797860 1024163657 /nfs/dbraw/zinc/16/36/57/1024163657.db2.gz JCCBYKINXMITCT-CYBMUJFWSA-N 0 1 314.458 3.703 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000756852102 1024175509 /nfs/dbraw/zinc/17/55/09/1024175509.db2.gz XNWDSYNVTLMLFR-WCBMZHEXSA-N 0 1 320.177 3.993 20 10 DHCDMN COc1ccc(N2CCN(CCCCC(F)(F)F)CC2)cc1 ZINC000130745509 1024209984 /nfs/dbraw/zinc/20/99/84/1024209984.db2.gz NTOVXOSDYBGGAJ-UHFFFAOYSA-N 0 1 316.367 3.550 20 10 DHCDMN CCc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000130790989 1024216789 /nfs/dbraw/zinc/21/67/89/1024216789.db2.gz LTAINFILLQBUGI-UHFFFAOYSA-N 0 1 316.470 3.685 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1nccn1-c1ccccc1 ZINC000790964795 1024406398 /nfs/dbraw/zinc/40/63/98/1024406398.db2.gz LLBVEQSERZVXGA-UHFFFAOYSA-N 0 1 320.440 3.537 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2[O-] ZINC000883381236 1024413853 /nfs/dbraw/zinc/41/38/53/1024413853.db2.gz JHYXXEFIORAZBB-RISCZKNCSA-N 0 1 305.393 3.628 20 10 DHCDMN Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)sn1 ZINC000877024756 1033209545 /nfs/dbraw/zinc/20/95/45/1033209545.db2.gz NNCVYMNZUOAXDV-UHFFFAOYSA-N 0 1 315.486 3.978 20 10 DHCDMN CCOc1cccc(CN[C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883383296 1024417753 /nfs/dbraw/zinc/41/77/53/1024417753.db2.gz WMVZAGVPXNBWSC-AEFFLSMTSA-N 0 1 315.388 3.906 20 10 DHCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825933573 1033222565 /nfs/dbraw/zinc/22/25/65/1033222565.db2.gz ADWQVHLRCXUVEZ-NSHDSACASA-N 0 1 321.804 3.919 20 10 DHCDMN COc1ccc(O)c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC000792179393 1024642964 /nfs/dbraw/zinc/64/29/64/1024642964.db2.gz GWFMULDPQYTNLP-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000792174175 1024643117 /nfs/dbraw/zinc/64/31/17/1024643117.db2.gz RRNAQZUBSRLVAJ-AWEZNQCLSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000792179068 1024644563 /nfs/dbraw/zinc/64/45/63/1024644563.db2.gz FOCXEJOFLZRHPZ-GFCCVEGCSA-N 0 1 313.800 3.576 20 10 DHCDMN Cc1cc(O)c(CNc2ccnc(C)c2Br)cc1C ZINC000792692862 1024783857 /nfs/dbraw/zinc/78/38/57/1024783857.db2.gz VAUIZKAQDFXSLI-UHFFFAOYSA-N 0 1 321.218 3.509 20 10 DHCDMN COc1cccc(O)c1CN(C)Cc1ccccc1SC ZINC000793233956 1024947639 /nfs/dbraw/zinc/94/76/39/1024947639.db2.gz XASWZMVTXKSJDB-UHFFFAOYSA-N 0 1 303.427 3.755 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000793567448 1025104105 /nfs/dbraw/zinc/10/41/05/1025104105.db2.gz XRJSHORMVAZALW-OAHLLOKOSA-N 0 1 319.836 3.819 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)cc1[O-] ZINC000279902777 1025311441 /nfs/dbraw/zinc/31/14/41/1025311441.db2.gz HERCZYIAQROITL-NXEZZACHSA-N 0 1 316.264 3.558 20 10 DHCDMN C[C@@H](c1ccccc1)N(CC1=NOCC1)Cc1ccccc1O ZINC001168244936 1025385633 /nfs/dbraw/zinc/38/56/33/1025385633.db2.gz VKYAHPDXWFDQFI-HNNXBMFYSA-N 0 1 310.397 3.732 20 10 DHCDMN CC[C@@H](C)[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804984905 1025518033 /nfs/dbraw/zinc/51/80/33/1025518033.db2.gz PPPDUIHJKIKIGA-BDAKNGLRSA-N 0 1 319.232 3.933 20 10 DHCDMN C[C@H]1CCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805079135 1025537352 /nfs/dbraw/zinc/53/73/52/1025537352.db2.gz ABALZGVPSHLSRA-UFBFGSQYSA-N 0 1 317.216 3.687 20 10 DHCDMN CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000359892212 1025723383 /nfs/dbraw/zinc/72/33/83/1025723383.db2.gz AWDXRVBLLYWJIK-ODOQXGPZSA-N 0 1 316.228 3.577 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(Cl)c1[O-] ZINC000806149166 1025809526 /nfs/dbraw/zinc/80/95/26/1025809526.db2.gz PVVLTCFUNBNEQY-BONVTDFDSA-N 0 1 307.825 3.749 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC=CCC1 ZINC000806833893 1025985873 /nfs/dbraw/zinc/98/58/73/1025985873.db2.gz OUGXXKQNULXMQK-LLVKDONJSA-N 0 1 315.200 3.607 20 10 DHCDMN COc1c(C)cccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826535511 1026106827 /nfs/dbraw/zinc/10/68/27/1026106827.db2.gz YSVQQTYRHKRYSW-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN Cc1ccc(O)c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000093769047 1026126677 /nfs/dbraw/zinc/12/66/77/1026126677.db2.gz HJIQAJRQSCZMRF-GUYCJALGSA-N 0 1 303.427 3.724 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC(F)(F)C1 ZINC000807836194 1026128073 /nfs/dbraw/zinc/12/80/73/1026128073.db2.gz RCCZUDHHWJGTHY-ZETCQYMHSA-N 0 1 324.154 3.751 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccsc1 ZINC000807833570 1026129262 /nfs/dbraw/zinc/12/92/62/1026129262.db2.gz BROAMWZTNVSHEA-UHFFFAOYSA-N 0 1 302.182 3.691 20 10 DHCDMN CC(C)[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836597 1026129372 /nfs/dbraw/zinc/12/93/72/1026129372.db2.gz GVBHPPXKUWDDEB-WDEREUQCSA-N 0 1 302.201 3.607 20 10 DHCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)F ZINC000807836951 1026132096 /nfs/dbraw/zinc/13/20/96/1026132096.db2.gz VNWHCESXXBCHEP-UHFFFAOYSA-N 0 1 312.143 3.607 20 10 DHCDMN COc1cc(C)cc(CN[C@@H](C)c2c(F)cccc2F)c1O ZINC000894196740 1026341150 /nfs/dbraw/zinc/34/11/50/1026341150.db2.gz AMENUFPEZLSTPR-NSHDSACASA-N 0 1 307.340 3.838 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](CCO)c2ccco2)c1O ZINC000808715289 1026363346 /nfs/dbraw/zinc/36/33/46/1026363346.db2.gz TZFBIUFWBCFTQT-BXUZGUMPSA-N 0 1 309.793 3.721 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)c1[O-] ZINC000808701411 1026375698 /nfs/dbraw/zinc/37/56/98/1026375698.db2.gz XEXFWSIJZDMKIE-MJEQTWJJSA-N 0 1 311.853 3.946 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809728662 1026595509 /nfs/dbraw/zinc/59/55/09/1026595509.db2.gz DZKWEZIFNWMYFM-OAHLLOKOSA-N 0 1 306.768 3.917 20 10 DHCDMN COc1ccc(O)c(CNCc2c(F)cccc2SC)c1 ZINC000809688431 1026595719 /nfs/dbraw/zinc/59/57/19/1026595719.db2.gz ALTIVGYWULGRHO-UHFFFAOYSA-N 0 1 307.390 3.552 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000809713572 1026602306 /nfs/dbraw/zinc/60/23/06/1026602306.db2.gz UAQGPRSJYVOABS-UONOGXRCSA-N 0 1 310.235 3.823 20 10 DHCDMN O=C1OCc2ccc(NCc3cc(Cl)cc(Cl)c3O)cc21 ZINC000809788656 1026625462 /nfs/dbraw/zinc/62/54/62/1026625462.db2.gz MJKGZIIPHYBCLL-UHFFFAOYSA-N 0 1 324.163 3.982 20 10 DHCDMN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)C ZINC000768335254 1026697834 /nfs/dbraw/zinc/69/78/34/1026697834.db2.gz KRXBZLGZKPSONV-UHFFFAOYSA-N 0 1 316.239 3.641 20 10 DHCDMN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])CC(C)C ZINC000768335254 1026697831 /nfs/dbraw/zinc/69/78/31/1026697831.db2.gz KRXBZLGZKPSONV-UHFFFAOYSA-N 0 1 316.239 3.641 20 10 DHCDMN CC[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217497 1026709384 /nfs/dbraw/zinc/70/93/84/1026709384.db2.gz FOEKNHUVIKZVJQ-CYBMUJFWSA-N 0 1 317.351 3.757 20 10 DHCDMN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217592 1026710171 /nfs/dbraw/zinc/71/01/71/1026710171.db2.gz HYNOGSQZHFBKLX-DZGCQCFKSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228162 1026713217 /nfs/dbraw/zinc/71/32/17/1026713217.db2.gz COXLTDUHAHRKPC-SMDDNHRTSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227641 1026713961 /nfs/dbraw/zinc/71/39/61/1026713961.db2.gz GRRKLWZJLCWFRN-YRGRVCCFSA-N 0 1 317.351 3.755 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210798 1026718993 /nfs/dbraw/zinc/71/89/93/1026718993.db2.gz DVXQVJVXCTUTTJ-BXUZGUMPSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238202 1026725131 /nfs/dbraw/zinc/72/51/31/1026725131.db2.gz OFDBFBRTSDNVLF-BPNCWPANSA-N 0 1 317.351 3.877 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)nn1 ZINC000811837283 1027097465 /nfs/dbraw/zinc/09/74/65/1027097465.db2.gz OPGBNTUDDYAYEU-UHFFFAOYSA-N 0 1 304.564 3.755 20 10 DHCDMN COCC1(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CCC1 ZINC000812829844 1027434718 /nfs/dbraw/zinc/43/47/18/1027434718.db2.gz NSASYDVMQQUEAR-UHFFFAOYSA-N 0 1 315.413 3.804 20 10 DHCDMN Oc1ccc(F)cc1CN1CCSC[C@@H]1c1ccccc1 ZINC000778996027 1027747194 /nfs/dbraw/zinc/74/71/94/1027747194.db2.gz KJHGJQIDDVDBOE-MRXNPFEDSA-N 0 1 303.402 3.821 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2O)[C@@H](C)CO1 ZINC000779021303 1027870702 /nfs/dbraw/zinc/87/07/02/1027870702.db2.gz YOXPUEDBDDUDHM-IFXJQAMLSA-N 0 1 315.388 3.802 20 10 DHCDMN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000527840792 1027917137 /nfs/dbraw/zinc/91/71/37/1027917137.db2.gz JEOHMPZNKIZKDS-KRWDZBQOSA-N 0 1 318.804 3.690 20 10 DHCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000367467428 1028189546 /nfs/dbraw/zinc/18/95/46/1028189546.db2.gz OMARRLBKCNDMFC-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000367467428 1028189553 /nfs/dbraw/zinc/18/95/53/1028189553.db2.gz OMARRLBKCNDMFC-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000367467428 1028189556 /nfs/dbraw/zinc/18/95/56/1028189556.db2.gz OMARRLBKCNDMFC-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000367718090 1028229822 /nfs/dbraw/zinc/22/98/22/1028229822.db2.gz FFWVAHKBERLSIV-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000367718090 1028229837 /nfs/dbraw/zinc/22/98/37/1028229837.db2.gz FFWVAHKBERLSIV-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367722616 1028230177 /nfs/dbraw/zinc/23/01/77/1028230177.db2.gz AYGVHSCXKFTGPJ-ZDUSSCGKSA-N 0 1 323.799 3.862 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220049 1028257042 /nfs/dbraw/zinc/25/70/42/1028257042.db2.gz ZXUCXLKDPOYSAC-WCQYABFASA-N 0 1 305.340 3.877 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CCC[C@@H]2c2cc(C)on2)c1 ZINC000368046118 1028289499 /nfs/dbraw/zinc/28/94/99/1028289499.db2.gz YOFHHVCOFXQUST-MLGOLLRUSA-N 0 1 302.374 3.595 20 10 DHCDMN CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CC1 ZINC000935991168 1028438635 /nfs/dbraw/zinc/43/86/35/1028438635.db2.gz CYYZCPDEERXTTF-UHFFFAOYSA-N 0 1 300.185 3.672 20 10 DHCDMN Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CC3 ZINC000779164880 1028561175 /nfs/dbraw/zinc/56/11/75/1028561175.db2.gz APGVXFXFHASGCY-HNNXBMFYSA-N 0 1 324.399 3.968 20 10 DHCDMN COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480888 1028888235 /nfs/dbraw/zinc/88/82/35/1028888235.db2.gz AAVZOGOQRQTCSA-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN CCc1nocc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000816487269 1028892698 /nfs/dbraw/zinc/89/26/98/1028892698.db2.gz IBLDMAZOCODGED-UHFFFAOYSA-N 0 1 301.434 3.714 20 10 DHCDMN COc1ccc(N2CCN(Cc3ccsc3C)CC2)cc1F ZINC000816520146 1028905355 /nfs/dbraw/zinc/90/53/55/1028905355.db2.gz HNFFNLIECMHTFK-UHFFFAOYSA-N 0 1 320.433 3.526 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000816515449 1028915563 /nfs/dbraw/zinc/91/55/63/1028915563.db2.gz ZTQOMHACQNDKAS-INIZCTEOSA-N 0 1 313.800 3.577 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc2ccccc21 ZINC000816532453 1028924145 /nfs/dbraw/zinc/92/41/45/1028924145.db2.gz HWFKTKHGEXIGGG-QGZVFWFLSA-N 0 1 305.377 3.639 20 10 DHCDMN O=C(CC[NH2+]Cc1ccc2ccccc2c1[O-])Nc1ccccc1 ZINC000816549509 1028930464 /nfs/dbraw/zinc/93/04/64/1028930464.db2.gz PZAKTPDWCRJSGJ-UHFFFAOYSA-N 0 1 320.392 3.664 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(F)c1 ZINC000816556450 1028943064 /nfs/dbraw/zinc/94/30/64/1028943064.db2.gz JGYRRRGEGQSAGL-UHFFFAOYSA-N 0 1 311.356 3.983 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560477 1028943806 /nfs/dbraw/zinc/94/38/06/1028943806.db2.gz PZEXEYQYYOJPAV-LJQANCHMSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560477 1028943822 /nfs/dbraw/zinc/94/38/22/1028943822.db2.gz PZEXEYQYYOJPAV-LJQANCHMSA-N 0 1 311.425 3.936 20 10 DHCDMN CCC(CC)(C[NH2+]Cc1ccc2ccccc2c1[O-])C(=O)OC ZINC000816565141 1028946392 /nfs/dbraw/zinc/94/63/92/1028946392.db2.gz CVFCELXZWSQQIP-UHFFFAOYSA-N 0 1 315.413 3.614 20 10 DHCDMN Cc1ccc(C[N@H+](CCO)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816567300 1028947467 /nfs/dbraw/zinc/94/74/67/1028947467.db2.gz WMQTTWJJUXQOCS-UHFFFAOYSA-N 0 1 321.420 3.848 20 10 DHCDMN Cc1ccc(C[N@@H+](CCO)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816567300 1028947482 /nfs/dbraw/zinc/94/74/82/1028947482.db2.gz WMQTTWJJUXQOCS-UHFFFAOYSA-N 0 1 321.420 3.848 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000816566839 1028949113 /nfs/dbraw/zinc/94/91/13/1028949113.db2.gz IKOHSDPYSBTGNL-ZDUSSCGKSA-N 0 1 320.795 3.644 20 10 DHCDMN C[C@](O)(CC[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816574745 1028952897 /nfs/dbraw/zinc/95/28/97/1028952897.db2.gz QTYHLLYVAYLOAB-NRFANRHFSA-N 0 1 321.420 3.933 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594754 1028956249 /nfs/dbraw/zinc/95/62/49/1028956249.db2.gz OGSDGCXSWYGKJE-CBAPKCEASA-N 0 1 311.706 3.957 20 10 DHCDMN Cn1nccc1[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000816598669 1028957190 /nfs/dbraw/zinc/95/71/90/1028957190.db2.gz LIWAOTZINRNQFV-HNNXBMFYSA-N 0 1 323.799 3.645 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](CO)CC2CCCC2)ccc2ccccc21 ZINC000816598541 1028957585 /nfs/dbraw/zinc/95/75/85/1028957585.db2.gz GQENDSDHMUMKRS-MRXNPFEDSA-N 0 1 313.441 3.824 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC23CCSCC3)c(Cl)c1 ZINC000817411827 1029152455 /nfs/dbraw/zinc/15/24/55/1029152455.db2.gz WIYINCFFUNFPAC-LBPRGKRZSA-N 0 1 311.878 3.977 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC23CCSCC3)c(Cl)c1 ZINC000817411826 1029152951 /nfs/dbraw/zinc/15/29/51/1029152951.db2.gz WIYINCFFUNFPAC-GFCCVEGCSA-N 0 1 311.878 3.977 20 10 DHCDMN Cc1cc(Cl)cc(CNC(C)(C)c2cn(C(C)C)nn2)c1O ZINC000817419829 1029154276 /nfs/dbraw/zinc/15/42/76/1029154276.db2.gz KRESHRMOMSLDME-UHFFFAOYSA-N 0 1 322.840 3.551 20 10 DHCDMN CO[C@@H](C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000688106346 1029288776 /nfs/dbraw/zinc/28/87/76/1029288776.db2.gz PMSMJDBLRCYAPP-JTQLQIEISA-N 0 1 306.233 3.944 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](N)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958641 1029296255 /nfs/dbraw/zinc/29/62/55/1029296255.db2.gz KZDPVZQWLNRLMD-STQMWFEESA-N 0 1 305.249 3.723 20 10 DHCDMN CC[C@@H]([NH2+]CC1(N)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965020 1029305827 /nfs/dbraw/zinc/30/58/27/1029305827.db2.gz NCAXSNKSEJJOSF-GFCCVEGCSA-N 0 1 303.233 3.621 20 10 DHCDMN CCOc1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC000818230664 1029359246 /nfs/dbraw/zinc/35/92/46/1029359246.db2.gz RIDAZXUTLCRNCA-MSOLQXFVSA-N 0 1 301.361 3.518 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865726690 1029992865 /nfs/dbraw/zinc/99/28/65/1029992865.db2.gz REYAHGYSVJTEGF-MRXNPFEDSA-N 0 1 309.837 3.875 20 10 DHCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290622383 1030127980 /nfs/dbraw/zinc/12/79/80/1030127980.db2.gz XJNBRYPQBSMTAO-HNNXBMFYSA-N 0 1 318.244 3.826 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290896166 1030241525 /nfs/dbraw/zinc/24/15/25/1030241525.db2.gz LUJBBMZENHIDOF-HOCLYGCPSA-N 0 1 307.821 3.579 20 10 DHCDMN C[C@@H](NCc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866565653 1030379789 /nfs/dbraw/zinc/37/97/89/1030379789.db2.gz OSWLHILRCQCNOA-MRVPVSSYSA-N 0 1 315.751 3.568 20 10 DHCDMN Cc1cc(C)c([C@@H](C)NCc2nn(C)cc2C(F)F)c(O)c1 ZINC000866568458 1030381179 /nfs/dbraw/zinc/38/11/79/1030381179.db2.gz VMUZFDBXZPQDBR-LLVKDONJSA-N 0 1 309.360 3.531 20 10 DHCDMN COc1ccc(O)c(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823871972 1030419254 /nfs/dbraw/zinc/41/92/54/1030419254.db2.gz SZWYWIYIUOASEP-CYBMUJFWSA-N 0 1 323.314 3.595 20 10 DHCDMN CCCCN(Cc1ccccc1O)Cc1cc(F)ncc1F ZINC000824344738 1030533262 /nfs/dbraw/zinc/53/32/62/1030533262.db2.gz RTUCDLXYSUIPFT-UHFFFAOYSA-N 0 1 306.356 3.868 20 10 DHCDMN CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515048 1030571215 /nfs/dbraw/zinc/57/12/15/1030571215.db2.gz DDKDUALPRYUWFR-FZMZJTMJSA-N 0 1 319.367 3.860 20 10 DHCDMN COc1cccc(O)c1CNCc1cc(C2CC2)ccc1F ZINC000824548285 1030587321 /nfs/dbraw/zinc/58/73/21/1030587321.db2.gz FCHVMTSRWFEHED-UHFFFAOYSA-N 0 1 301.361 3.707 20 10 DHCDMN CCCn1nccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000824778230 1030632964 /nfs/dbraw/zinc/63/29/64/1030632964.db2.gz QQXCAHKDPLSOPU-UHFFFAOYSA-N 0 1 313.445 3.944 20 10 DHCDMN COc1cc(CN(C)Cc2ccc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000824907037 1030663664 /nfs/dbraw/zinc/66/36/64/1030663664.db2.gz UXJRMKGSVOIDCL-UHFFFAOYSA-N 0 1 302.418 3.658 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC(OCC3CC3)CC2)cc1Cl ZINC000824877529 1030669167 /nfs/dbraw/zinc/66/91/67/1030669167.db2.gz STBZIUPUJRJXGI-UHFFFAOYSA-N 0 1 309.837 3.745 20 10 DHCDMN COc1ccc(O)c(CN2CC(c3cccc(Cl)c3)C2)c1 ZINC000824989026 1030696655 /nfs/dbraw/zinc/69/66/55/1030696655.db2.gz XWNQGSGIASHYFS-UHFFFAOYSA-N 0 1 303.789 3.654 20 10 DHCDMN COCc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825113605 1030729152 /nfs/dbraw/zinc/72/91/52/1030729152.db2.gz HBUBHLWBHKMAPV-UHFFFAOYSA-N 0 1 305.805 3.790 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(OC)c1 ZINC000825125574 1030730828 /nfs/dbraw/zinc/73/08/28/1030730828.db2.gz LTEZOJYCADBIFL-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN CCc1nc(C)c(CN[C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000291997149 1030748836 /nfs/dbraw/zinc/74/88/36/1030748836.db2.gz XIDVNRYNDONCJL-INIZCTEOSA-N 0 1 301.434 3.852 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000825279864 1030764230 /nfs/dbraw/zinc/76/42/30/1030764230.db2.gz ZAJMCTXTESMTOL-DYVFJYSZSA-N 0 1 319.832 3.608 20 10 DHCDMN Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)o1 ZINC000825304173 1030771031 /nfs/dbraw/zinc/77/10/31/1030771031.db2.gz RXQFHZLQLPYXGN-KRWDZBQOSA-N 0 1 323.820 3.561 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)c1 ZINC000825365737 1030790362 /nfs/dbraw/zinc/79/03/62/1030790362.db2.gz MIDZJPVFRIYDDY-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825500800 1030829705 /nfs/dbraw/zinc/82/97/05/1030829705.db2.gz ICRIZNRUCOSPHY-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825500800 1030829713 /nfs/dbraw/zinc/82/97/13/1030829713.db2.gz ICRIZNRUCOSPHY-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN Cc1ccc([C@H](C)NCc2nc3c(s2)CCCC3)c(O)c1 ZINC000926921514 1030997197 /nfs/dbraw/zinc/99/71/97/1030997197.db2.gz VDDWUUWLEYLCOP-LBPRGKRZSA-N 0 1 302.443 3.887 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1[O-] ZINC000927101213 1031089028 /nfs/dbraw/zinc/08/90/28/1031089028.db2.gz KGMSNWIRPDSLKA-HNNXBMFYSA-N 0 1 319.836 3.897 20 10 DHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)CCCC3 ZINC000844753376 1031313211 /nfs/dbraw/zinc/31/32/11/1031313211.db2.gz PZUCVOGQYYHDFI-BETUJISGSA-N 0 1 319.351 3.714 20 10 DHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)CCCC3 ZINC000844753376 1031313226 /nfs/dbraw/zinc/31/32/26/1031313226.db2.gz PZUCVOGQYYHDFI-BETUJISGSA-N 0 1 319.351 3.714 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1[O-] ZINC001171154540 1031387011 /nfs/dbraw/zinc/38/70/11/1031387011.db2.gz AGNRLZUZAZAUMU-ZDUSSCGKSA-N 0 1 307.821 3.870 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C3CCC3)C2)c1[O-] ZINC001171154540 1031387022 /nfs/dbraw/zinc/38/70/22/1031387022.db2.gz AGNRLZUZAZAUMU-ZDUSSCGKSA-N 0 1 307.821 3.870 20 10 DHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299931 1031439748 /nfs/dbraw/zinc/43/97/48/1031439748.db2.gz MSAOKQJMXDQYFT-VHSXEESVSA-N 0 1 316.214 3.914 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104146 1031881105 /nfs/dbraw/zinc/88/11/05/1031881105.db2.gz FKQXNDFVYPRDHZ-CQSZACIVSA-N 0 1 301.764 3.975 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104146 1031881117 /nfs/dbraw/zinc/88/11/17/1031881117.db2.gz FKQXNDFVYPRDHZ-CQSZACIVSA-N 0 1 301.764 3.975 20 10 DHCDMN COc1cccc([C@H](C)NCc2c(Cl)cccc2OC)c1O ZINC000846167277 1031893508 /nfs/dbraw/zinc/89/35/08/1031893508.db2.gz VXMYDJKRERWEES-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN Cc1nc(C(C)(C)NCc2ccc(N(C)C)cc2)sc1C ZINC000124742497 1031955546 /nfs/dbraw/zinc/95/55/46/1031955546.db2.gz GEGCGXLZOXNYDG-UHFFFAOYSA-N 0 1 303.475 3.851 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@@H](c2ccncc2)C2CC2)cc1F ZINC000898320224 1032018476 /nfs/dbraw/zinc/01/84/76/1032018476.db2.gz JXZHKTOJHQRJRP-GOSISDBHSA-N 0 1 317.383 3.667 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672365 1033406024 /nfs/dbraw/zinc/40/60/24/1033406024.db2.gz CPRHVIVTDVQTRU-DLBZAZTESA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672365 1033406028 /nfs/dbraw/zinc/40/60/28/1033406028.db2.gz CPRHVIVTDVQTRU-DLBZAZTESA-N 0 1 317.816 3.744 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000826053310 1033764887 /nfs/dbraw/zinc/76/48/87/1033764887.db2.gz JOWKHSBCMKCMEQ-ZDUSSCGKSA-N 0 1 309.837 3.793 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000826062914 1033781019 /nfs/dbraw/zinc/78/10/19/1033781019.db2.gz YMSRSYBRMBOMQV-DYVFJYSZSA-N 0 1 311.853 3.895 20 10 DHCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC1(F)F ZINC000862369995 1033833674 /nfs/dbraw/zinc/83/36/74/1033833674.db2.gz GLHDQGCEOPFFCW-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC1(F)F ZINC000862369995 1033833687 /nfs/dbraw/zinc/83/36/87/1033833687.db2.gz GLHDQGCEOPFFCW-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@H]1CN(Cc2c(O)cccc2Br)CCC1(F)F ZINC000862369995 1033833700 /nfs/dbraw/zinc/83/37/00/1033833700.db2.gz GLHDQGCEOPFFCW-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@](C)(CC)c2nc(C)cs2)c1 ZINC000174498425 1033938566 /nfs/dbraw/zinc/93/85/66/1033938566.db2.gz CQEJSOHEAKCKPA-KRWDZBQOSA-N 0 1 320.458 3.971 20 10 DHCDMN C[C@@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@@H](C)C1(F)F ZINC000863273984 1034050605 /nfs/dbraw/zinc/05/06/05/1034050605.db2.gz GKHZBCUJPNFWNU-VXGBXAGGSA-N 0 1 306.356 3.664 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC3(F)F)CC2)cc1Cl ZINC000826139807 1034170994 /nfs/dbraw/zinc/17/09/94/1034170994.db2.gz OQERZGXVJUXDRS-UHFFFAOYSA-N 0 1 301.764 3.975 20 10 DHCDMN Oc1cccc(Cl)c1CNc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000864012160 1034250320 /nfs/dbraw/zinc/25/03/20/1034250320.db2.gz UTKHZDFINYPJJJ-UHFFFAOYSA-N 0 1 318.739 3.582 20 10 DHCDMN COCCOc1cc(C)ccc1NCc1ccc(F)c(F)c1O ZINC000864018681 1034259175 /nfs/dbraw/zinc/25/91/75/1034259175.db2.gz PHZPDDIVCUQIKQ-UHFFFAOYSA-N 0 1 323.339 3.616 20 10 DHCDMN Oc1c(CNc2ccc(-c3csnn3)cc2)ccc(F)c1F ZINC000864025776 1034262700 /nfs/dbraw/zinc/26/27/00/1034262700.db2.gz USNCEOKBQUPRKL-UHFFFAOYSA-N 0 1 319.336 3.801 20 10 DHCDMN Cc1ccnn1-c1ccccc1NCc1ccc(F)c(F)c1O ZINC000864034093 1034268072 /nfs/dbraw/zinc/26/80/72/1034268072.db2.gz VASPELGEVFOUJV-UHFFFAOYSA-N 0 1 315.323 3.777 20 10 DHCDMN C[N@@H+](CCc1ccncc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183759268 1034416820 /nfs/dbraw/zinc/41/68/20/1034416820.db2.gz JMFZXGGWVZMYQY-UHFFFAOYSA-N 0 1 311.212 3.769 20 10 DHCDMN C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184857718 1034506382 /nfs/dbraw/zinc/50/63/82/1034506382.db2.gz BFEKAKSZIMVXLN-SMDDNHRTSA-N 0 1 308.809 3.592 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184857737 1034506722 /nfs/dbraw/zinc/50/67/22/1034506722.db2.gz BFEKAKSZIMVXLN-BXUZGUMPSA-N 0 1 308.809 3.592 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000184998966 1034518418 /nfs/dbraw/zinc/51/84/18/1034518418.db2.gz QGOCZFZXJGXRBG-HUUCEWRRSA-N 0 1 314.404 3.708 20 10 DHCDMN C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185119512 1034531409 /nfs/dbraw/zinc/53/14/09/1034531409.db2.gz ZJWDPYREIOLPGY-NWDGAFQWSA-N 0 1 305.805 3.950 20 10 DHCDMN C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185475265 1034551560 /nfs/dbraw/zinc/55/15/60/1034551560.db2.gz SUHKZQUPSSCLES-WHEQGISXSA-N 0 1 319.470 3.743 20 10 DHCDMN CN(C)c1ccc(CNCc2ccc(OC(F)F)cc2F)cc1 ZINC000865404842 1034630574 /nfs/dbraw/zinc/63/05/74/1034630574.db2.gz UJCJKLWNQSKQLF-UHFFFAOYSA-N 0 1 324.346 3.783 20 10 DHCDMN CCCCn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000773407690 1034630982 /nfs/dbraw/zinc/63/09/82/1034630982.db2.gz AHWRAZXWWZOCEB-UHFFFAOYSA-N 0 1 307.825 3.640 20 10 DHCDMN CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000773426562 1034685622 /nfs/dbraw/zinc/68/56/22/1034685622.db2.gz DQSRKWIGMATGFG-UHFFFAOYSA-N 0 1 313.825 3.647 20 10 DHCDMN Cc1cc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)[nH]n1 ZINC001176484119 1035278336 /nfs/dbraw/zinc/27/83/36/1035278336.db2.gz ANQNPJKOKJTDFI-IBGZPJMESA-N 0 1 312.461 3.820 20 10 DHCDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001177449339 1035369759 /nfs/dbraw/zinc/36/97/59/1035369759.db2.gz BOCNDLGMLGTMFK-QGZVFWFLSA-N 0 1 305.805 3.831 20 10 DHCDMN CN(C)c1ccc(/C=C/CNCc2cc(F)cnc2Cl)cc1 ZINC001178827731 1035449431 /nfs/dbraw/zinc/44/94/31/1035449431.db2.gz SUIMTEMEOFSOQD-ONEGZZNKSA-N 0 1 319.811 3.743 20 10 DHCDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898460 1035521496 /nfs/dbraw/zinc/52/14/96/1035521496.db2.gz OAPBQKCYBYLPQE-HZPDHXFCSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898460 1035521512 /nfs/dbraw/zinc/52/15/12/1035521512.db2.gz OAPBQKCYBYLPQE-HZPDHXFCSA-N 0 1 311.853 3.989 20 10 DHCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCCC[C@@H]1C ZINC001195358063 1036226747 /nfs/dbraw/zinc/22/67/47/1036226747.db2.gz KCKWXYFIFGUPRR-JKSUJKDBSA-N 0 1 319.445 3.584 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)OCCc2ccccc21 ZINC001203485911 1036251672 /nfs/dbraw/zinc/25/16/72/1036251672.db2.gz QQCQSLOXGLQLOQ-SFHVURJKSA-N 0 1 317.816 3.623 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000774381553 1036308190 /nfs/dbraw/zinc/30/81/90/1036308190.db2.gz YSWHKFMQDZCFEE-WFASDCNBSA-N 0 1 308.853 3.713 20 10 DHCDMN Cc1cc(Cl)cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000775723136 1036554226 /nfs/dbraw/zinc/55/42/26/1036554226.db2.gz DRESLUFHIKPKCN-UHFFFAOYSA-N 0 1 313.825 3.518 20 10 DHCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC001183472094 1036598619 /nfs/dbraw/zinc/59/86/19/1036598619.db2.gz LXYQKYDRTXAJIQ-GOSISDBHSA-N 0 1 314.404 3.817 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCc2ccc(F)c(F)c2C1 ZINC000775740718 1036600969 /nfs/dbraw/zinc/60/09/69/1036600969.db2.gz MFHXIUNIAGUZRN-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741605 1036612114 /nfs/dbraw/zinc/61/21/14/1036612114.db2.gz TWJQPGVYPVRKPO-LBPRGKRZSA-N 0 1 303.830 3.902 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1Cl ZINC001184265038 1036791718 /nfs/dbraw/zinc/79/17/18/1036791718.db2.gz OEQCRICOTNAGST-LBPRGKRZSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1Cl ZINC001184265038 1036791739 /nfs/dbraw/zinc/79/17/39/1036791739.db2.gz OEQCRICOTNAGST-LBPRGKRZSA-N 0 1 322.861 3.875 20 10 DHCDMN CCc1nnc([C@H](C)NCc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000762632004 1036882898 /nfs/dbraw/zinc/88/28/98/1036882898.db2.gz UOKXQASEHKHWPN-ZDUSSCGKSA-N 0 1 322.412 3.591 20 10 DHCDMN CN(Cc1nc2ccc(F)cc2s1)Cc1ccccc1O ZINC000762971839 1037186078 /nfs/dbraw/zinc/18/60/78/1037186078.db2.gz VQSFKTYWYYGMOF-UHFFFAOYSA-N 0 1 302.374 3.773 20 10 DHCDMN COc1cc(C)cc(CN(C)Cc2ccccc2Cl)c1O ZINC000915815013 1037198595 /nfs/dbraw/zinc/19/85/95/1037198595.db2.gz CYZXTRPPGLJTDQ-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN COc1cccc(CN(C)Cc2cc(Cl)ccc2F)c1O ZINC000775125417 1037646102 /nfs/dbraw/zinc/64/61/02/1037646102.db2.gz RNMBAWQOFWHXRO-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1cccc(F)c1 ZINC000776217858 1037906655 /nfs/dbraw/zinc/90/66/55/1037906655.db2.gz BVWJOIFOVZXHCL-NSHDSACASA-N 0 1 309.768 3.742 20 10 DHCDMN COCC1(C2CCC2)C[NH+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000827012083 1037991748 /nfs/dbraw/zinc/99/17/48/1037991748.db2.gz RPHGAMUEMHTJAH-UHFFFAOYSA-N 0 1 309.837 3.603 20 10 DHCDMN CN(C)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000776250026 1038086602 /nfs/dbraw/zinc/08/66/02/1038086602.db2.gz CJWVZQBEXDOEFE-UHFFFAOYSA-N 0 1 312.200 3.772 20 10 DHCDMN CCC(CC)n1ccc(CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000775370336 1038285013 /nfs/dbraw/zinc/28/50/13/1038285013.db2.gz FEMSKSGSHLTRDD-ZDUSSCGKSA-N 0 1 317.433 3.809 20 10 DHCDMN CC[C@@H](NCc1nccn1CC(C)C)c1ccc(N(C)C)cc1 ZINC000164803359 1038306589 /nfs/dbraw/zinc/30/65/89/1038306589.db2.gz ZBCWXLXVTUQZLR-GOSISDBHSA-N 0 1 314.477 3.846 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775491079 1038559757 /nfs/dbraw/zinc/55/97/57/1038559757.db2.gz YGOXHXKLOITPTQ-INIZCTEOSA-N 0 1 323.795 3.918 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)ccc1[O-] ZINC000775489375 1038565682 /nfs/dbraw/zinc/56/56/82/1038565682.db2.gz YWGCJAGRDISCEH-CQSZACIVSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775493300 1038570133 /nfs/dbraw/zinc/57/01/33/1038570133.db2.gz XABMPBRSQFPRJM-AWEZNQCLSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775508450 1038592550 /nfs/dbraw/zinc/59/25/50/1038592550.db2.gz CGPAIJBLJHDQNJ-HIFRSBDPSA-N 0 1 309.793 3.721 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775513920 1038608165 /nfs/dbraw/zinc/60/81/65/1038608165.db2.gz WMOCDTNYDOEOIZ-KFNAQCHYSA-N 0 1 308.853 3.712 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775514247 1038608395 /nfs/dbraw/zinc/60/83/95/1038608395.db2.gz STNKKCVBHQQZQS-MLGOLLRUSA-N 0 1 323.820 3.531 20 10 DHCDMN CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775531705 1038666852 /nfs/dbraw/zinc/66/68/52/1038666852.db2.gz MPNBXFKNBFSQBX-HOCLYGCPSA-N 0 1 311.853 3.883 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775555219 1038712802 /nfs/dbraw/zinc/71/28/02/1038712802.db2.gz UHSULFRQAZBIMO-KGLIPLIRSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@](C)(NCc1cccc(OC)c1O)c1nc(C)cs1 ZINC000174504644 1040659144 /nfs/dbraw/zinc/65/91/44/1040659144.db2.gz GJPGDMSSPHHPQO-INIZCTEOSA-N 0 1 306.431 3.581 20 10 DHCDMN CO[C@@H](C)c1nc(CN[C@H](C)c2ccc(C)cc2O)cs1 ZINC000273367549 130112996 /nfs/dbraw/zinc/11/29/96/130112996.db2.gz BSSXCFKFAYEWMY-NEPJUHHUSA-N 0 1 306.431 3.715 20 10 DHCDMN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273482573 130126395 /nfs/dbraw/zinc/12/63/95/130126395.db2.gz MKPIVZTVKJCDOJ-ZUZCIYMTSA-N 0 1 313.319 3.509 20 10 DHCDMN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000273491771 130127879 /nfs/dbraw/zinc/12/78/79/130127879.db2.gz OJGUBLZLUGGBBD-ZUZCIYMTSA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000273605165 130144363 /nfs/dbraw/zinc/14/43/63/130144363.db2.gz TWWJIJCHXIGRMF-GXSJLCMTSA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000273621536 130145779 /nfs/dbraw/zinc/14/57/79/130145779.db2.gz ZFAIVLGIQRLRRH-KOLCDFICSA-N 0 1 316.264 3.701 20 10 DHCDMN CC(C)COC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297831610 132035851 /nfs/dbraw/zinc/03/58/51/132035851.db2.gz RXZDQMDTRKJKPR-CVEARBPZSA-N 0 1 315.413 3.976 20 10 DHCDMN CC[C@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875145 332964898 /nfs/dbraw/zinc/96/48/98/332964898.db2.gz NPDHORUTMSUCSE-HIFRSBDPSA-N 0 1 314.433 3.512 20 10 DHCDMN CC[C@@H](N[C@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875147 332964977 /nfs/dbraw/zinc/96/49/77/332964977.db2.gz NPDHORUTMSUCSE-UKRRQHHQSA-N 0 1 314.433 3.512 20 10 DHCDMN COc1cc(N[C@@H](C)c2ccc(F)c(F)c2O)cc(OC)c1 ZINC000187880384 333239053 /nfs/dbraw/zinc/23/90/53/333239053.db2.gz ASNJUEGSZGLHQG-VIFPVBQESA-N 0 1 309.312 3.861 20 10 DHCDMN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc2ccccc2c1[O-] ZINC000186075368 333371963 /nfs/dbraw/zinc/37/19/63/333371963.db2.gz UUCOXDKBIOHWKT-UONOGXRCSA-N 0 1 301.430 3.993 20 10 DHCDMN Cc1cccnc1C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000368273912 336841655 /nfs/dbraw/zinc/84/16/55/336841655.db2.gz PMRGVKZZDRHMHK-UHFFFAOYSA-N 0 1 302.805 3.570 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@H]2COc3c2cccc3Cl)c1 ZINC000375243240 337006311 /nfs/dbraw/zinc/00/63/11/337006311.db2.gz VWZARFYSHDYZNC-BMIGLBTASA-N 0 1 319.788 3.839 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000377198159 337048640 /nfs/dbraw/zinc/04/86/40/337048640.db2.gz OASCANNFKIORAR-CQSZACIVSA-N 0 1 323.799 3.564 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377245379 337049295 /nfs/dbraw/zinc/04/92/95/337049295.db2.gz ZMHAMDPZCMVLEA-MNOVXSKESA-N 0 1 316.228 3.557 20 10 DHCDMN Cc1ccc(O)c(CN[C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000377406536 337052093 /nfs/dbraw/zinc/05/20/93/337052093.db2.gz AVIDGPNZANHNHP-HNNXBMFYSA-N 0 1 307.397 3.737 20 10 DHCDMN COc1ccc(O)c(CN2CCSC[C@@H]2c2ccc(C)o2)c1 ZINC000378445162 337073036 /nfs/dbraw/zinc/07/30/36/337073036.db2.gz SHZIIEDUUDCAOJ-OAHLLOKOSA-N 0 1 319.426 3.592 20 10 DHCDMN Cc1nc([C@H](N[C@H](C)c2ccc(C)cc2O)c2ccccc2)n[nH]1 ZINC000185324712 337205091 /nfs/dbraw/zinc/20/50/91/337205091.db2.gz UHBWPGWCFSEEQQ-FZKQIMNGSA-N 0 1 322.412 3.567 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121199665 337396277 /nfs/dbraw/zinc/39/62/77/337396277.db2.gz YVKLKACWTRLNDQ-HNNXBMFYSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121199665 337396278 /nfs/dbraw/zinc/39/62/78/337396278.db2.gz YVKLKACWTRLNDQ-HNNXBMFYSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758755 337908008 /nfs/dbraw/zinc/90/80/08/337908008.db2.gz FYKQOCDFWMYWAW-UHFFFAOYSA-N 0 1 309.837 3.969 20 10 DHCDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCCc2cccnc21 ZINC000365002903 521349164 /nfs/dbraw/zinc/34/91/64/521349164.db2.gz PTHAVALKGGOZSY-INIZCTEOSA-N 0 1 300.377 3.826 20 10 DHCDMN CC[C@@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317542 522924350 /nfs/dbraw/zinc/92/43/50/522924350.db2.gz KNMVURVDZIIFLV-HUUCEWRRSA-N 0 1 314.433 3.683 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](CC)c2ccccc2O)o1 ZINC000156014103 524032151 /nfs/dbraw/zinc/03/21/51/524032151.db2.gz ABXHBMIVYCPLFL-JKSUJKDBSA-N 0 1 303.402 3.976 20 10 DHCDMN C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1c([O-])cccc1Cl ZINC000131120175 524854489 /nfs/dbraw/zinc/85/44/89/524854489.db2.gz WFJLQAPDYDKTNW-HZMBPMFUSA-N 0 1 311.834 3.709 20 10 DHCDMN CO[C@H](C)c1nc(CN[C@H](C)c2cc(C)ccc2O)cs1 ZINC000273584267 536514277 /nfs/dbraw/zinc/51/42/77/536514277.db2.gz NIFMTIVLYPFZHE-VXGBXAGGSA-N 0 1 306.431 3.715 20 10 DHCDMN Cc1cc(O)c(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1C(C)C ZINC000738463800 599935674 /nfs/dbraw/zinc/93/56/74/599935674.db2.gz NNNGGTRLSQWMCR-ZDUSSCGKSA-N 0 1 305.418 3.509 20 10 DHCDMN CCc1cc(C[N@@H+](CC)CCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737250620 600424990 /nfs/dbraw/zinc/42/49/90/600424990.db2.gz IPWIBEACAHJRQI-UHFFFAOYSA-N 0 1 307.434 3.549 20 10 DHCDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O ZINC000894645180 1013439274 /nfs/dbraw/zinc/43/92/74/1013439274.db2.gz OOFZRJHNDOUCSZ-HNNXBMFYSA-N 0 1 321.371 3.614 20 10 DHCDMN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)cc1[O-] ZINC000857081689 1022946049 /nfs/dbraw/zinc/94/60/49/1022946049.db2.gz QDHKPYVNNOCNQM-RKDXNWHRSA-N 0 1 320.177 3.851 20 10 DHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000294608540 1032078307 /nfs/dbraw/zinc/07/83/07/1032078307.db2.gz IJHLCHOUBKBFBL-UHFFFAOYSA-N 0 1 313.800 3.576 20 10 DHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000131096467 1024258367 /nfs/dbraw/zinc/25/83/67/1024258367.db2.gz KOJWVBOMXDGJHN-SNVBAGLBSA-N 0 1 310.191 3.941 20 10 DHCDMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840076 1026122868 /nfs/dbraw/zinc/12/28/68/1026122868.db2.gz XCMCYLBOHZMJHS-XHDPSFHLSA-N 0 1 316.228 3.997 20 10 DHCDMN CN1CCN(c2ccc(CNc3cccc4c3CC=C4)cc2)CC1 ZINC001167434276 1014348182 /nfs/dbraw/zinc/34/81/82/1014348182.db2.gz GIMSQFSGYDEOBD-UHFFFAOYSA-N 0 1 319.452 3.620 20 10 DHCDMN C[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)C(C)(C)C ZINC001592593253 978525109 /nfs/dbraw/zinc/52/51/09/978525109.db2.gz YSBXGUNDLDKONC-LLVKDONJSA-N 0 1 313.825 3.614 20 10 DHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)CC2CCCC2)c1C(=O)[O-] ZINC001598505184 992493589 /nfs/dbraw/zinc/49/35/89/992493589.db2.gz FFTXZGVVUBTGSO-UHFFFAOYSA-N 0 1 318.392 3.638 20 10 DHCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275372 1016130191 /nfs/dbraw/zinc/13/01/91/1016130191.db2.gz QBVIAPOFFLNMGM-RWMBFGLXSA-N 0 1 302.422 3.744 20 10 DHCDMN COc1ccc(O)c(CNc2ccc(Cl)c(CN(C)C)c2)c1 ZINC000281400136 1016500361 /nfs/dbraw/zinc/50/03/61/1016500361.db2.gz XLGXSQTWOPULFW-UHFFFAOYSA-N 0 1 320.820 3.728 20 10 DHCDMN Cn1c2ccccc2nc1C(C)(C)NCc1ccc2c(c1)CCO2 ZINC000185638125 1017067676 /nfs/dbraw/zinc/06/76/76/1017067676.db2.gz UGYUYEBVMOFEDL-UHFFFAOYSA-N 0 1 321.424 3.533 20 10 DHCDMN C[N@H+](Cc1ccsc1)Cc1cc(Br)ccc1[O-] ZINC000120448121 1012527412 /nfs/dbraw/zinc/52/74/12/1012527412.db2.gz BINADDNPDDMTSL-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Br)ccc1[O-] ZINC000120448121 1012527425 /nfs/dbraw/zinc/52/74/25/1012527425.db2.gz BINADDNPDDMTSL-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN COc1cc(C)cc(CNCc2c(F)cc(C)cc2F)c1O ZINC000897214102 1017159307 /nfs/dbraw/zinc/15/93/07/1017159307.db2.gz WAFZRJXNPUKMOG-UHFFFAOYSA-N 0 1 307.340 3.586 20 10 DHCDMN OCCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000040738258 1032694759 /nfs/dbraw/zinc/69/47/59/1032694759.db2.gz BSVDTMBOBVSXIH-UHFFFAOYSA-N 0 1 312.196 3.846 20 10 DHCDMN C[NH+](C)Cc1ccc(NCc2cccc(Cl)c2[O-])c(F)c1 ZINC000840957187 1017555599 /nfs/dbraw/zinc/55/55/99/1017555599.db2.gz HWHYPEYYSMCVHQ-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN CS[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701061510 1017997434 /nfs/dbraw/zinc/99/74/34/1017997434.db2.gz YSVXDIANKAFKOW-RYUDHWBXSA-N 0 1 316.264 3.528 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@H]2CCc3ccc(F)cc32)cc1F ZINC000858128458 1032773035 /nfs/dbraw/zinc/77/30/35/1032773035.db2.gz OBBPGSNXHBEJDG-KRWDZBQOSA-N 0 1 320.358 3.947 20 10 DHCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000157975038 1018722031 /nfs/dbraw/zinc/72/20/31/1018722031.db2.gz CGWMXYLPMZXBCG-CYBMUJFWSA-N 0 1 315.866 3.822 20 10 DHCDMN Oc1cccc(Br)c1CNc1ccc2c[nH]nc2c1 ZINC000706805248 1018760216 /nfs/dbraw/zinc/76/02/16/1018760216.db2.gz UKNMUFUXBCAXGH-UHFFFAOYSA-N 0 1 318.174 3.643 20 10 DHCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])CC1CCCC1 ZINC000715720369 1018956798 /nfs/dbraw/zinc/95/67/98/1018956798.db2.gz XHXXUJVQVWGDOG-UHFFFAOYSA-N 0 1 316.214 3.916 20 10 DHCDMN COc1cccc(CNc2ccc(Cl)c(CN(C)C)c2)c1O ZINC000282367375 1020217618 /nfs/dbraw/zinc/21/76/18/1020217618.db2.gz WRMFQHYTZVFKQK-UHFFFAOYSA-N 0 1 320.820 3.728 20 10 DHCDMN COc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1C ZINC000733331833 1020376833 /nfs/dbraw/zinc/37/68/33/1020376833.db2.gz JFUZPQWJSBGWII-MRXNPFEDSA-N 0 1 313.397 3.626 20 10 DHCDMN Oc1ccccc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000179558660 1020407584 /nfs/dbraw/zinc/40/75/84/1020407584.db2.gz BBQHQXXYEUGRNS-FQEVSTJZSA-N 0 1 304.393 3.799 20 10 DHCDMN CCCc1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000733613779 1020418443 /nfs/dbraw/zinc/41/84/43/1020418443.db2.gz LALHUPGCEQVDOB-UHFFFAOYSA-N 0 1 315.417 3.673 20 10 DHCDMN CCn1cc(CN(C)Cc2cc(C)cc(C(C)(C)C)c2O)cn1 ZINC000733791013 1020445561 /nfs/dbraw/zinc/44/55/61/1020445561.db2.gz XEFZRQKZDZADKM-UHFFFAOYSA-N 0 1 315.461 3.847 20 10 DHCDMN Cc1nc([C@H]2CCCN2Cc2cc3c(cc2O)CCC3)cs1 ZINC000186868402 1020513333 /nfs/dbraw/zinc/51/33/33/1020513333.db2.gz QDDVMPQQRNRHBA-QGZVFWFLSA-N 0 1 314.454 3.983 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000135921913 1020576505 /nfs/dbraw/zinc/57/65/05/1020576505.db2.gz HOHZVYKJKKXPSB-UHFFFAOYSA-N 0 1 300.789 3.859 20 10 DHCDMN [O-]c1c(C[NH+]2CCN(c3ccccc3)CC2)ccc2ccccc21 ZINC000200225318 1032914533 /nfs/dbraw/zinc/91/45/33/1032914533.db2.gz GVYWHMMAACOKBB-UHFFFAOYSA-N 0 1 318.420 3.868 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000691407465 1020648605 /nfs/dbraw/zinc/64/86/05/1020648605.db2.gz PTSFPWNNJDTJFG-OAHLLOKOSA-N 0 1 318.214 3.932 20 10 DHCDMN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000742390656 1021111213 /nfs/dbraw/zinc/11/12/13/1021111213.db2.gz KZKZCCZEOHHSDT-HOTGVXAUSA-N 0 1 309.837 3.873 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858592815 1032956888 /nfs/dbraw/zinc/95/68/88/1032956888.db2.gz LUFGQKUDAQQEMT-SUHUHFCYSA-N 0 1 317.351 3.877 20 10 DHCDMN COc1ccc(CN2CC[C@H](C)C(F)(F)C2)c(O)c1Cl ZINC001236801698 1021287240 /nfs/dbraw/zinc/28/72/40/1021287240.db2.gz LWMZVNBGEBPADE-VIFPVBQESA-N 0 1 305.752 3.531 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000694870458 1021387433 /nfs/dbraw/zinc/38/74/33/1021387433.db2.gz JYNNWUWAIHYFQD-ZJUUUORDSA-N 0 1 304.217 3.698 20 10 DHCDMN CCSCC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743870873 1021397094 /nfs/dbraw/zinc/39/70/94/1021397094.db2.gz FJNCPJBWUZYDCY-UHFFFAOYSA-N 0 1 318.280 3.730 20 10 DHCDMN CCSCC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743870873 1021397113 /nfs/dbraw/zinc/39/71/13/1021397113.db2.gz FJNCPJBWUZYDCY-UHFFFAOYSA-N 0 1 318.280 3.730 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cccnc2)cc1F ZINC000182032466 1021443971 /nfs/dbraw/zinc/44/39/71/1021443971.db2.gz QWGJJYQXRPKGJB-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN CCCOc1ncccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000154695922 1021500301 /nfs/dbraw/zinc/50/03/01/1021500301.db2.gz JQPANJHMIZXKOX-HNNXBMFYSA-N 0 1 313.445 3.787 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850408755 1021516127 /nfs/dbraw/zinc/51/61/27/1021516127.db2.gz DTJDKMAHNSHCJY-OAUYIBNBSA-N 0 1 303.764 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850515485 1021572888 /nfs/dbraw/zinc/57/28/88/1021572888.db2.gz LOQLAXAAQGLZNB-GWCFXTLKSA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)ccc1[O-] ZINC000850535914 1021590482 /nfs/dbraw/zinc/59/04/82/1021590482.db2.gz DRLQXSUVLOJHBY-UFBFGSQYSA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)ccc1[O-] ZINC000850535913 1021590698 /nfs/dbraw/zinc/59/06/98/1021590698.db2.gz DRLQXSUVLOJHBY-QPUJVOFHSA-N 0 1 320.177 3.851 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2coc(-c3ccccc3)n2)c1 ZINC000182430627 1021645487 /nfs/dbraw/zinc/64/54/87/1021645487.db2.gz SNXOHONTAMIMKQ-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccccc1O ZINC000109770814 1021747468 /nfs/dbraw/zinc/74/74/68/1021747468.db2.gz AXCXRONJFAVRIK-LBPRGKRZSA-N 0 1 318.804 3.505 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000109873261 1021799758 /nfs/dbraw/zinc/79/97/58/1021799758.db2.gz QNUJFHJEMMHZJQ-UHFFFAOYSA-N 0 1 324.193 3.626 20 10 DHCDMN Cc1csc([C@H](C)NCc2ccc(N3CCCC3)cc2)n1 ZINC000070939642 1021953173 /nfs/dbraw/zinc/95/31/73/1021953173.db2.gz HPJGNSUPSUPQKM-AWEZNQCLSA-N 0 1 301.459 3.903 20 10 DHCDMN COc1cc(C)cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1O ZINC000853544648 1022289332 /nfs/dbraw/zinc/28/93/32/1022289332.db2.gz XRRJAOBXIZDLPG-MRXNPFEDSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(C)cc(CN2CC[C@@H]2c2ccc(F)cc2)c1O ZINC000853544648 1022289337 /nfs/dbraw/zinc/28/93/37/1022289337.db2.gz XRRJAOBXIZDLPG-MRXNPFEDSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(C)cc(CN2CC3(CCC3)[C@H]2c2ccncc2)c1O ZINC000853629400 1022302489 /nfs/dbraw/zinc/30/24/89/1022302489.db2.gz JMIFRGMGJMMUGV-LJQANCHMSA-N 0 1 324.424 3.831 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854226869 1022436041 /nfs/dbraw/zinc/43/60/41/1022436041.db2.gz SAPLXXPYHGINED-HWPZZCPQSA-N 0 1 302.805 3.966 20 10 DHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(F)c1 ZINC000859059216 1033057770 /nfs/dbraw/zinc/05/77/70/1033057770.db2.gz DAVHUDPAXRZEEO-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN CCC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1O ZINC000179929540 1022589349 /nfs/dbraw/zinc/58/93/49/1022589349.db2.gz LEIONLUODRENLI-UHFFFAOYSA-N 0 1 315.461 3.835 20 10 DHCDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130829613 1022644963 /nfs/dbraw/zinc/64/49/63/1022644963.db2.gz HSBDUXIIFFTLPI-PIGZYNQJSA-N 0 1 323.795 3.787 20 10 DHCDMN Cc1nccnc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000187987968 1022729566 /nfs/dbraw/zinc/72/95/66/1022729566.db2.gz IBOZSJXDVBMGNN-KRWDZBQOSA-N 0 1 324.472 3.872 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cncc(Cl)c2)C2CC2)cc1 ZINC000856722448 1022845078 /nfs/dbraw/zinc/84/50/78/1022845078.db2.gz YXWIVMBHNFPDPN-UHFFFAOYSA-N 0 1 315.848 3.966 20 10 DHCDMN Oc1ccc2c(c1)CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000768868672 1023043365 /nfs/dbraw/zinc/04/33/65/1023043365.db2.gz PPBMGZRGSKPJFH-UHFFFAOYSA-N 0 1 322.452 3.941 20 10 DHCDMN CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000769103831 1023091023 /nfs/dbraw/zinc/09/10/23/1023091023.db2.gz CNOCGQKZJUFWPL-LPHOPBHVSA-N 0 1 302.462 3.676 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)ccc(F)c1F ZINC000876636257 1033111209 /nfs/dbraw/zinc/11/12/09/1033111209.db2.gz DAPXICNNCFMGBK-OAHLLOKOSA-N 0 1 305.324 3.713 20 10 DHCDMN Cc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795597 1033144733 /nfs/dbraw/zinc/14/47/33/1033144733.db2.gz ROEFLMMHCZHDEU-PEBXRYMYSA-N 0 1 317.454 3.631 20 10 DHCDMN CC[C@@]1(C)CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000785985306 1023649231 /nfs/dbraw/zinc/64/92/31/1023649231.db2.gz UZVRDZWZTBZWLG-IBGZPJMESA-N 0 1 302.462 3.678 20 10 DHCDMN CC1(C)C[NH+](Cc2cc(Cl)cc(F)c2[O-])CC(C)(C)O1 ZINC000785991526 1023649242 /nfs/dbraw/zinc/64/92/42/1023649242.db2.gz NKVCUHGXGVNIPK-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788259698 1023866024 /nfs/dbraw/zinc/86/60/24/1023866024.db2.gz OQKJXCOKLSJBIQ-SWLSCSKDSA-N 0 1 321.852 3.870 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000788606072 1023912667 /nfs/dbraw/zinc/91/26/67/1023912667.db2.gz VBSMVQYXBGYTGR-OCCSQVGLSA-N 0 1 319.420 3.612 20 10 DHCDMN CSC1(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000193820067 1023976137 /nfs/dbraw/zinc/97/61/37/1023976137.db2.gz RMJONSCJVRVUAE-SECBINFHSA-N 0 1 316.264 3.701 20 10 DHCDMN Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c(C)o1 ZINC000882798904 1024136375 /nfs/dbraw/zinc/13/63/75/1024136375.db2.gz IPIOJCZYZXMCIU-UHFFFAOYSA-N 0 1 309.387 3.526 20 10 DHCDMN CC[C@@H](NCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000268745106 1024150903 /nfs/dbraw/zinc/15/09/03/1024150903.db2.gz UUXRPIJFLBNJFU-GOSISDBHSA-N 0 1 308.429 3.641 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000789769835 1024160982 /nfs/dbraw/zinc/16/09/82/1024160982.db2.gz RIOZCFYPUTZVKZ-CYBMUJFWSA-N 0 1 324.207 3.623 20 10 DHCDMN CC(C)(C)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789938376 1024190617 /nfs/dbraw/zinc/19/06/17/1024190617.db2.gz BLBURNVXEHQEJP-UHFFFAOYSA-N 0 1 303.333 3.787 20 10 DHCDMN COc1cccc(CN[C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883382221 1024415805 /nfs/dbraw/zinc/41/58/05/1024415805.db2.gz BRHQARAKWBTGQW-NVXWUHKLSA-N 0 1 301.361 3.516 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cc(C)ns2)cc1F ZINC000877028173 1033210094 /nfs/dbraw/zinc/21/00/94/1033210094.db2.gz ZXAHYSQVMWOUDE-UHFFFAOYSA-N 0 1 307.438 3.727 20 10 DHCDMN C[C@@H](N[C@H](C)C(F)F)c1cc(Br)c(F)cc1O ZINC000883399508 1024427257 /nfs/dbraw/zinc/42/72/57/1024427257.db2.gz OYHGWWGQZNAZAW-PHDIDXHHSA-N 0 1 312.129 3.598 20 10 DHCDMN COc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000271663061 1024559023 /nfs/dbraw/zinc/55/90/23/1024559023.db2.gz LNMWZIVQQFHKPP-NSHDSACASA-N 0 1 317.360 3.593 20 10 DHCDMN COc1cccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)c1 ZINC000792156422 1024637465 /nfs/dbraw/zinc/63/74/65/1024637465.db2.gz DNQSEKSOPCJWGB-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC000792166778 1024641697 /nfs/dbraw/zinc/64/16/97/1024641697.db2.gz GUNVXBLMMJIPNQ-UHFFFAOYSA-N 0 1 308.784 3.644 20 10 DHCDMN Cc1cc(Cl)nc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000282868354 1024653050 /nfs/dbraw/zinc/65/30/50/1024653050.db2.gz VCHHMKFLDMOSKZ-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232526 1024949120 /nfs/dbraw/zinc/94/91/20/1024949120.db2.gz XBIPCXPGDHDARO-KCJUWKMLSA-N 0 1 323.742 3.827 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229562344 1025063640 /nfs/dbraw/zinc/06/36/40/1025063640.db2.gz VLEYADJVQGIIPI-JQWIXIFHSA-N 0 1 316.264 3.701 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008524 1025437068 /nfs/dbraw/zinc/43/70/68/1025437068.db2.gz OPNDKYWPYOMSHL-LPHOPBHVSA-N 0 1 301.430 3.563 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008524 1025437078 /nfs/dbraw/zinc/43/70/78/1025437078.db2.gz OPNDKYWPYOMSHL-LPHOPBHVSA-N 0 1 301.430 3.563 20 10 DHCDMN Cc1n[nH]c(CN(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000893864265 1025578277 /nfs/dbraw/zinc/57/82/77/1025578277.db2.gz WCPVDMASRJGPKF-UHFFFAOYSA-N 0 1 312.461 3.649 20 10 DHCDMN Cc1[nH]nc(CN(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000893864265 1025578282 /nfs/dbraw/zinc/57/82/82/1025578282.db2.gz WCPVDMASRJGPKF-UHFFFAOYSA-N 0 1 312.461 3.649 20 10 DHCDMN CC1(C)CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806021189 1025737637 /nfs/dbraw/zinc/73/76/37/1025737637.db2.gz FMVNNWMTLJSIAX-NSHDSACASA-N 0 1 317.216 3.687 20 10 DHCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C ZINC000221275300 1025770229 /nfs/dbraw/zinc/77/02/29/1025770229.db2.gz WYMJDNAIUNXDDY-TVQRCGJNSA-N 0 1 304.217 3.556 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512613 1026052581 /nfs/dbraw/zinc/05/25/81/1026052581.db2.gz BLNROIXGMIAGSW-CQSZACIVSA-N 0 1 313.401 3.902 20 10 DHCDMN COc1cc(C)cc(CNc2ccc(CN(C)C)c(F)c2)c1O ZINC000894130948 1026091601 /nfs/dbraw/zinc/09/16/01/1026091601.db2.gz JRSUBNWSOFIZQK-UHFFFAOYSA-N 0 1 318.392 3.522 20 10 DHCDMN C[C@@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839158 1026131246 /nfs/dbraw/zinc/13/12/46/1026131246.db2.gz XZNKNGLONIUOQQ-RKDXNWHRSA-N 0 1 302.201 3.751 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccsc3)C2)cc1C ZINC000122124132 1026171294 /nfs/dbraw/zinc/17/12/94/1026171294.db2.gz ZSPRRPJCYMICQE-QGZVFWFLSA-N 0 1 303.427 3.644 20 10 DHCDMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000808444612 1026287875 /nfs/dbraw/zinc/28/78/75/1026287875.db2.gz PDNSPWNRRDHYLP-KPZWWZAWSA-N 0 1 300.377 3.504 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000280066238 1026581271 /nfs/dbraw/zinc/58/12/71/1026581271.db2.gz LTLULFYMBUDHSD-VHSXEESVSA-N 0 1 316.264 3.558 20 10 DHCDMN CCC[N@@H+](CCc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000809734159 1026597227 /nfs/dbraw/zinc/59/72/27/1026597227.db2.gz AKXBUDUADHVUBN-UHFFFAOYSA-N 0 1 304.821 3.895 20 10 DHCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809767682 1026605365 /nfs/dbraw/zinc/60/53/65/1026605365.db2.gz RCGGOQVSHHDCIN-NSHDSACASA-N 0 1 318.826 3.527 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738374 1026609656 /nfs/dbraw/zinc/60/96/56/1026609656.db2.gz WPAMZDHMIJDFNA-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN CN(C)c1ccccc1CN(C)Cc1c(O)cccc1Cl ZINC000809788379 1026626045 /nfs/dbraw/zinc/62/60/45/1026626045.db2.gz RLMFUWPVTUBWNJ-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809788909 1026627384 /nfs/dbraw/zinc/62/73/84/1026627384.db2.gz XHPGLBXQBQCNNL-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220338 1026711254 /nfs/dbraw/zinc/71/12/54/1026711254.db2.gz VQDWSQSHKQGMCB-MJVIPROJSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227875 1026714059 /nfs/dbraw/zinc/71/40/59/1026714059.db2.gz LXHZLKRJQZQDFU-ZIAGYGMSSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210801 1026718608 /nfs/dbraw/zinc/71/86/08/1026718608.db2.gz DVXQVJVXCTUTTJ-SMDDNHRTSA-N 0 1 317.351 3.878 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1[C@@H]1CCCO1 ZINC000811510317 1027027061 /nfs/dbraw/zinc/02/70/61/1027027061.db2.gz CARXCQXGIJRCOX-DZGCQCFKSA-N 0 1 313.800 3.574 20 10 DHCDMN C[C@H]1CN(Cc2cc(Br)ccc2O)CCC1(F)F ZINC000811512060 1027027471 /nfs/dbraw/zinc/02/74/71/1027027471.db2.gz DCWABOLGDCLZLF-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN CCc1nc([C@H](C)NCc2cc(C)cc(OC)c2O)cs1 ZINC000894276087 1027322901 /nfs/dbraw/zinc/32/29/01/1027322901.db2.gz OGHIMBWLCOZANK-NSHDSACASA-N 0 1 306.431 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000813792041 1027713220 /nfs/dbraw/zinc/71/32/20/1027713220.db2.gz PDEIJBQHBXJLEA-LBPRGKRZSA-N 0 1 320.795 3.553 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877923 1027748511 /nfs/dbraw/zinc/74/85/11/1027748511.db2.gz HLSVTFHMEXZZMH-GXFFZTMASA-N 0 1 319.276 3.937 20 10 DHCDMN CN(C)c1ccc(CNCc2ccc(Cl)cc2F)cc1F ZINC000778181290 1027796594 /nfs/dbraw/zinc/79/65/94/1027796594.db2.gz FRFVGUFUHICFBM-UHFFFAOYSA-N 0 1 310.775 3.974 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cc(F)ccc2OC)cc1 ZINC000778184165 1027798589 /nfs/dbraw/zinc/79/85/89/1027798589.db2.gz CQVRRNQRNYBZIL-UHFFFAOYSA-N 0 1 316.420 3.970 20 10 DHCDMN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC001170727692 1027894017 /nfs/dbraw/zinc/89/40/17/1027894017.db2.gz OUZLVRCMEZWEFP-XYYAHUGASA-N 0 1 310.235 3.679 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000528002704 1028029653 /nfs/dbraw/zinc/02/96/53/1028029653.db2.gz QLFYBCASHQUNPC-DOMZBBRYSA-N 0 1 308.853 3.713 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366544076 1028095570 /nfs/dbraw/zinc/09/55/70/1028095570.db2.gz KNYCBRCAZHLMCY-UGSOOPFHSA-N 0 1 312.413 3.940 20 10 DHCDMN Cc1noc(C)c1CN(C)Cc1cc2c(cc1O)CCCC2 ZINC000159783891 1028231328 /nfs/dbraw/zinc/23/13/28/1028231328.db2.gz WKLYWNUQLVEEPM-UHFFFAOYSA-N 0 1 300.402 3.508 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040185 1028289162 /nfs/dbraw/zinc/28/91/62/1028289162.db2.gz HZRVSMUOBIMSNO-UKRRQHHQSA-N 0 1 313.401 3.593 20 10 DHCDMN CCc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000815019525 1028329574 /nfs/dbraw/zinc/32/95/74/1028329574.db2.gz OUVDUNMMONGBIE-UHFFFAOYSA-N 0 1 309.457 3.875 20 10 DHCDMN Cc1cc(CN2CCO[C@@H](c3ccccc3)C2)ccc1N(C)C ZINC000815016013 1028329722 /nfs/dbraw/zinc/32/97/22/1028329722.db2.gz VEPWSXFSEDKYHG-HXUWFJFHSA-N 0 1 310.441 3.635 20 10 DHCDMN COc1ccc(F)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000815135756 1028391179 /nfs/dbraw/zinc/39/11/79/1028391179.db2.gz GTPDFRRBABOOEV-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000815647997 1028592595 /nfs/dbraw/zinc/59/25/95/1028592595.db2.gz BHMQGQGJMCJRMQ-GXTWGEPZSA-N 0 1 311.853 3.885 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2c(F)cc(F)cc2F)c1 ZINC000815650605 1028594507 /nfs/dbraw/zinc/59/45/07/1028594507.db2.gz WRCLSOOZDNODLI-VIFPVBQESA-N 0 1 311.303 3.669 20 10 DHCDMN C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816493292 1028897959 /nfs/dbraw/zinc/89/79/59/1028897959.db2.gz VZJQSMJRRXUXCB-MRXNPFEDSA-N 0 1 321.420 3.928 20 10 DHCDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816493292 1028897970 /nfs/dbraw/zinc/89/79/70/1028897970.db2.gz VZJQSMJRRXUXCB-MRXNPFEDSA-N 0 1 321.420 3.928 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493370 1028899379 /nfs/dbraw/zinc/89/93/79/1028899379.db2.gz YNUAPHCXDYCGPY-HNNXBMFYSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493370 1028899397 /nfs/dbraw/zinc/89/93/97/1028899397.db2.gz YNUAPHCXDYCGPY-HNNXBMFYSA-N 0 1 307.397 3.648 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1Cc2ccccc2C1 ZINC000816495665 1028899660 /nfs/dbraw/zinc/89/96/60/1028899660.db2.gz FMGTYCVKFKZSJO-UHFFFAOYSA-N 0 1 305.780 3.784 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501934 1028909816 /nfs/dbraw/zinc/90/98/16/1028909816.db2.gz HLBDGABPPZXWAG-QGZVFWFLSA-N 0 1 307.397 3.579 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501934 1028909830 /nfs/dbraw/zinc/90/98/30/1028909830.db2.gz HLBDGABPPZXWAG-QGZVFWFLSA-N 0 1 307.397 3.579 20 10 DHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC[C@H]1C ZINC000816535331 1028923900 /nfs/dbraw/zinc/92/39/00/1028923900.db2.gz MCXXJVUQKCNKQG-HZPDHXFCSA-N 0 1 312.457 3.898 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccccc2F)ccc2ccccc12 ZINC000816537848 1028927443 /nfs/dbraw/zinc/92/74/43/1028927443.db2.gz VVCBPDUXGJREQR-GOSISDBHSA-N 0 1 311.356 3.508 20 10 DHCDMN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548440 1028929471 /nfs/dbraw/zinc/92/94/71/1028929471.db2.gz HTOPYOQQJLLWDM-CQSZACIVSA-N 0 1 307.393 3.972 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2OCCc3ccccc32)ccc2ccccc21 ZINC000816550364 1028930272 /nfs/dbraw/zinc/93/02/72/1028930272.db2.gz OZIYEHXGDWNDGP-HXUWFJFHSA-N 0 1 319.404 3.949 20 10 DHCDMN CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCCC1 ZINC000816528416 1028936587 /nfs/dbraw/zinc/93/65/87/1028936587.db2.gz BQPQEOXABMHINA-UHFFFAOYSA-N 0 1 312.457 3.900 20 10 DHCDMN [O-]c1c(C[NH2+][C@H](CCO)c2cccs2)ccc2ccccc12 ZINC000816552820 1028941317 /nfs/dbraw/zinc/94/13/17/1028941317.db2.gz XXUHSIAABRZZAD-MRXNPFEDSA-N 0 1 313.422 3.820 20 10 DHCDMN [O-]c1c(C[NH2+]CCSCC(F)(F)F)ccc2ccccc21 ZINC000816558835 1028945802 /nfs/dbraw/zinc/94/58/02/1028945802.db2.gz MVENEFDNVJDICS-UHFFFAOYSA-N 0 1 315.360 3.931 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000816599386 1028956322 /nfs/dbraw/zinc/95/63/22/1028956322.db2.gz KXSIPQUQDGFAPY-LLVKDONJSA-N 0 1 306.768 3.569 20 10 DHCDMN Cc1sccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000816608859 1028958283 /nfs/dbraw/zinc/95/82/83/1028958283.db2.gz LPVPNMFOCOMHAQ-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816615827 1028965146 /nfs/dbraw/zinc/96/51/46/1028965146.db2.gz HBUIMFYLQPSNSG-GOSISDBHSA-N 0 1 319.404 3.947 20 10 DHCDMN CCOc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1 ZINC000816621853 1028969639 /nfs/dbraw/zinc/96/96/39/1028969639.db2.gz QPDDUPBKSFAOCV-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954953 1029294931 /nfs/dbraw/zinc/29/49/31/1029294931.db2.gz NLAJGDZPLMNFLY-CVEARBPZSA-N 0 1 304.821 3.786 20 10 DHCDMN CC(C)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779400743 1029313771 /nfs/dbraw/zinc/31/37/71/1029313771.db2.gz PZQQZHWPIBLJBE-SFHVURJKSA-N 0 1 300.377 3.643 20 10 DHCDMN COc1ccc(O)c(CNCc2coc(-c3ccc(C)cc3)n2)c1 ZINC000156123582 1029386796 /nfs/dbraw/zinc/38/67/96/1029386796.db2.gz ACFBJDOPJGIFBK-UHFFFAOYSA-N 0 1 324.380 3.654 20 10 DHCDMN Oc1ccccc1CN(CCOC1CCC1)Cc1ccco1 ZINC000805745672 1029710838 /nfs/dbraw/zinc/71/08/38/1029710838.db2.gz DOZNZPHTXYZMKG-UHFFFAOYSA-N 0 1 301.386 3.557 20 10 DHCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000290124263 1029903192 /nfs/dbraw/zinc/90/31/92/1029903192.db2.gz JDOZPVSQUVPZTO-OAHLLOKOSA-N 0 1 318.244 3.684 20 10 DHCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000290124261 1029904833 /nfs/dbraw/zinc/90/48/33/1029904833.db2.gz JDOZPVSQUVPZTO-HNNXBMFYSA-N 0 1 318.244 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530384 1030045998 /nfs/dbraw/zinc/04/59/98/1030045998.db2.gz ZMVQXOABDSBUQP-KRWDZBQOSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530384 1030046018 /nfs/dbraw/zinc/04/60/18/1030046018.db2.gz ZMVQXOABDSBUQP-KRWDZBQOSA-N 0 1 321.848 3.827 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000924708523 1030167796 /nfs/dbraw/zinc/16/77/96/1030167796.db2.gz QXTWWKGWVDDJLC-CYBMUJFWSA-N 0 1 319.499 3.547 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924862971 1030212660 /nfs/dbraw/zinc/21/26/60/1030212660.db2.gz SUPMLFRUYVFFDD-ZDUSSCGKSA-N 0 1 316.424 3.664 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000866512732 1030337290 /nfs/dbraw/zinc/33/72/90/1030337290.db2.gz OKRXSVOOTBDYCX-UHCFXLPNSA-N 0 1 319.420 3.874 20 10 DHCDMN CC[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(C)cc1O ZINC000866565899 1030379429 /nfs/dbraw/zinc/37/94/29/1030379429.db2.gz UNSFMHLHTJMGOU-CYBMUJFWSA-N 0 1 309.360 3.613 20 10 DHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H](F)C1 ZINC000824571650 1030585886 /nfs/dbraw/zinc/58/58/86/1030585886.db2.gz OYFOGSJZKMOJNR-INIZCTEOSA-N 0 1 301.361 3.515 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1O ZINC000824609986 1030595073 /nfs/dbraw/zinc/59/50/73/1030595073.db2.gz FPGOWTCACPKFJC-UHFFFAOYSA-N 0 1 304.821 3.814 20 10 DHCDMN CC[N@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC000824609986 1030595080 /nfs/dbraw/zinc/59/50/80/1030595080.db2.gz FPGOWTCACPKFJC-UHFFFAOYSA-N 0 1 304.821 3.814 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC000824609986 1030595091 /nfs/dbraw/zinc/59/50/91/1030595091.db2.gz FPGOWTCACPKFJC-UHFFFAOYSA-N 0 1 304.821 3.814 20 10 DHCDMN Cn1ccnc1[C@@H]1N(Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824620273 1030603716 /nfs/dbraw/zinc/60/37/16/1030603716.db2.gz HKJGGSIZLRBMKO-AWEZNQCLSA-N 0 1 323.799 3.501 20 10 DHCDMN CN(C)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291724192 1030617212 /nfs/dbraw/zinc/61/72/12/1030617212.db2.gz NBFJZNATTLYPFN-UHFFFAOYSA-N 0 1 313.401 3.686 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926812 1030674956 /nfs/dbraw/zinc/67/49/56/1030674956.db2.gz HKQBZJPCJVZJTC-LRDDRELGSA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926812 1030674963 /nfs/dbraw/zinc/67/49/63/1030674963.db2.gz HKQBZJPCJVZJTC-LRDDRELGSA-N 0 1 319.836 3.634 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825045142 1030706916 /nfs/dbraw/zinc/70/69/16/1030706916.db2.gz CANISOKVNFUACD-INIZCTEOSA-N 0 1 321.779 3.758 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCCc2nc(C(C)C)no2)cc1Cl ZINC000825214003 1030748059 /nfs/dbraw/zinc/74/80/59/1030748059.db2.gz BEJZHEGVPXXLCP-UHFFFAOYSA-N 0 1 323.824 3.583 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825245106 1030758226 /nfs/dbraw/zinc/75/82/26/1030758226.db2.gz FHLPCFYJLSHUAA-ZFWWWQNUSA-N 0 1 317.351 3.613 20 10 DHCDMN COCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccco1 ZINC000825474509 1030822451 /nfs/dbraw/zinc/82/24/51/1030822451.db2.gz CLPOGUWJTPKTRG-AWEZNQCLSA-N 0 1 309.793 3.814 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1Cl ZINC000825484273 1030840232 /nfs/dbraw/zinc/84/02/32/1030840232.db2.gz JNZPRMXVIJXLMZ-OAHLLOKOSA-N 0 1 316.832 3.814 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1Cl ZINC000825484273 1030840256 /nfs/dbraw/zinc/84/02/56/1030840256.db2.gz JNZPRMXVIJXLMZ-OAHLLOKOSA-N 0 1 316.832 3.814 20 10 DHCDMN COc1ccc(CN[C@H](C)c2nc3ccccc3n2C)cc1C ZINC000123154030 1031012419 /nfs/dbraw/zinc/01/24/19/1031012419.db2.gz PPRZEZVDWUUSSQ-CQSZACIVSA-N 0 1 309.413 3.741 20 10 DHCDMN CC(C)Oc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000844321704 1031065494 /nfs/dbraw/zinc/06/54/94/1031065494.db2.gz HFGDXIAQUDAFRH-HNNXBMFYSA-N 0 1 313.445 3.786 20 10 DHCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000927072951 1031073356 /nfs/dbraw/zinc/07/33/56/1031073356.db2.gz ZTHHDCYVTBDBBS-BZNIZROVSA-N 0 1 307.825 3.827 20 10 DHCDMN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000927138659 1031115348 /nfs/dbraw/zinc/11/53/48/1031115348.db2.gz GAYRVELMYAPQEK-AFBMGJRZSA-N 0 1 317.816 3.745 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000123659600 1031229991 /nfs/dbraw/zinc/22/99/91/1031229991.db2.gz CJRXCVMHWZYILD-UHFFFAOYSA-N 0 1 320.440 3.570 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844726487 1031304789 /nfs/dbraw/zinc/30/47/89/1031304789.db2.gz YGDMUVJXUQESBG-UHFFFAOYSA-N 0 1 304.340 3.562 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000844920879 1031402328 /nfs/dbraw/zinc/40/23/28/1031402328.db2.gz NTZOWIWHAPFSIP-BXUZGUMPSA-N 0 1 302.805 3.733 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(O)ccc1F ZINC000872036750 1031419725 /nfs/dbraw/zinc/41/97/25/1031419725.db2.gz YEOQTDKMZYKOGZ-CYBMUJFWSA-N 0 1 302.393 3.757 20 10 DHCDMN C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000293349054 1031438647 /nfs/dbraw/zinc/43/86/47/1031438647.db2.gz GVXSEXGIVXUHJP-QMMMGPOBSA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@@H](C)C1 ZINC001144306479 1031453318 /nfs/dbraw/zinc/45/33/18/1031453318.db2.gz DARJJORCHWHBQL-ZJUUUORDSA-N 0 1 316.214 3.914 20 10 DHCDMN Cc1nonc1CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000872136599 1031531655 /nfs/dbraw/zinc/53/16/55/1031531655.db2.gz NOPAAHOEXCFXKB-KRWDZBQOSA-N 0 1 323.396 3.547 20 10 DHCDMN COc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825634779 1031675636 /nfs/dbraw/zinc/67/56/36/1031675636.db2.gz REDHWIKTESFWOL-NSHDSACASA-N 0 1 306.793 3.608 20 10 DHCDMN CCCOc1ccc(CN[C@H](C)c2cnn(CC)c2)cc1C ZINC000873130091 1031720760 /nfs/dbraw/zinc/72/07/60/1031720760.db2.gz YCNBHQUFHCDTFC-OAHLLOKOSA-N 0 1 301.434 3.851 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2ncc(CSC)s2)c1 ZINC000845971372 1031789262 /nfs/dbraw/zinc/78/92/62/1031789262.db2.gz JFYRDYHJXJPKNJ-JTQLQIEISA-N 0 1 324.471 3.571 20 10 DHCDMN COc1cccc([C@H](C)N[C@H]2COc3ccc(Cl)cc32)c1O ZINC000846154719 1031884723 /nfs/dbraw/zinc/88/47/23/1031884723.db2.gz RLWLXFKDALVUJU-HZMBPMFUSA-N 0 1 319.788 3.839 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846143066 1031904371 /nfs/dbraw/zinc/90/43/71/1031904371.db2.gz AIJISMMVESDDLZ-WFASDCNBSA-N 0 1 319.401 3.595 20 10 DHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000846183350 1031917059 /nfs/dbraw/zinc/91/70/59/1031917059.db2.gz IAEGNYOZKYSGIR-IYOUNJFTSA-N 0 1 301.430 3.993 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3c2CCOC3)cc1Cl ZINC000877698132 1033414886 /nfs/dbraw/zinc/41/48/86/1033414886.db2.gz QHEBMMDPTZMRCA-UHFFFAOYSA-N 0 1 317.816 3.717 20 10 DHCDMN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877842154 1033481768 /nfs/dbraw/zinc/48/17/68/1033481768.db2.gz FNCLFXFKZOTQOS-INIZCTEOSA-N 0 1 318.323 3.647 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000862218458 1033782577 /nfs/dbraw/zinc/78/25/77/1033782577.db2.gz MCYJCJCFHWNUHD-UHFFFAOYSA-N 0 1 311.429 3.783 20 10 DHCDMN CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000862368866 1033830655 /nfs/dbraw/zinc/83/06/55/1033830655.db2.gz MXZMQGGQAGDFEP-LBPRGKRZSA-N 0 1 317.260 3.661 20 10 DHCDMN Oc1c(Cl)cccc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862432214 1033851164 /nfs/dbraw/zinc/85/11/64/1033851164.db2.gz VPWBZNRLUAYLRF-SNVBAGLBSA-N 0 1 322.739 3.895 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000862443427 1033854654 /nfs/dbraw/zinc/85/46/54/1033854654.db2.gz PASRUNLABPXWIK-DTORHVGOSA-N 0 1 307.743 3.908 20 10 DHCDMN CN(C)c1ccc(/C=C/CN2CCc3c(O)cccc3C2)cc1 ZINC000862530279 1033876344 /nfs/dbraw/zinc/87/63/44/1033876344.db2.gz YMEUJPURWQWDOS-SNAWJCMRSA-N 0 1 308.425 3.530 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541524 1033884573 /nfs/dbraw/zinc/88/45/73/1033884573.db2.gz VNSGQBKFUTUZFV-GFCCVEGCSA-N 0 1 321.779 3.880 20 10 DHCDMN C[C@H](NCc1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000879650239 1034074709 /nfs/dbraw/zinc/07/47/09/1034074709.db2.gz QXTJGLXHNRBXKF-LBPRGKRZSA-N 0 1 300.402 3.746 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516951 1034079491 /nfs/dbraw/zinc/07/94/91/1034079491.db2.gz ZEWDDDPVLBAHFQ-HIFRSBDPSA-N 0 1 309.837 3.684 20 10 DHCDMN COC(=O)[C@@H](C)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864015783 1034256137 /nfs/dbraw/zinc/25/61/37/1034256137.db2.gz WBYCDMVMOPBCBF-JTQLQIEISA-N 0 1 321.323 3.559 20 10 DHCDMN O=C(Nc1ccc(NCc2ccc(F)c(F)c2O)cc1)C1CC1 ZINC000864019378 1034258180 /nfs/dbraw/zinc/25/81/80/1034258180.db2.gz DPFNGIXUSPXHII-UHFFFAOYSA-N 0 1 318.323 3.631 20 10 DHCDMN CCOc1ccc(OC)cc1NCc1ccc(F)c(F)c1O ZINC000864027845 1034264724 /nfs/dbraw/zinc/26/47/24/1034264724.db2.gz LKLFYSSKYZGBJZ-UHFFFAOYSA-N 0 1 309.312 3.690 20 10 DHCDMN O=c1[nH]ccc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000864040691 1034270514 /nfs/dbraw/zinc/27/05/14/1034270514.db2.gz USAAEXIFEXVSDW-UHFFFAOYSA-N 0 1 302.280 3.536 20 10 DHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@](C)(OC)C3)c2c1 ZINC000794656493 1034333461 /nfs/dbraw/zinc/33/34/61/1034333461.db2.gz MNLQFRXASGMKEZ-IBGZPJMESA-N 0 1 315.413 3.555 20 10 DHCDMN CC[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(C)cc1O ZINC000794816036 1034526899 /nfs/dbraw/zinc/52/68/99/1034526899.db2.gz MTWZEMURWUUGPL-GOSISDBHSA-N 0 1 322.412 3.522 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000185162222 1034533756 /nfs/dbraw/zinc/53/37/56/1034533756.db2.gz VYIOMOOTRKYWAI-HWPZZCPQSA-N 0 1 309.768 3.569 20 10 DHCDMN COc1ccc(F)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000185918133 1034585718 /nfs/dbraw/zinc/58/57/18/1034585718.db2.gz OEKMONIUEYOSQC-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN C[C@@H]1C[C@@H]1c1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000865296564 1034591786 /nfs/dbraw/zinc/59/17/86/1034591786.db2.gz ZXFAUNNMSUGVGD-MUWHJKNJSA-N 0 1 314.172 3.818 20 10 DHCDMN C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747081 1034727903 /nfs/dbraw/zinc/72/79/03/1034727903.db2.gz FVOMCROLOXQAJM-GFCCVEGCSA-N 0 1 324.415 3.728 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c(Cl)c1 ZINC001178773647 1035448942 /nfs/dbraw/zinc/44/89/42/1035448942.db2.gz BEXUBUGXBFHYIK-WMLDXEAASA-N 0 1 313.869 3.733 20 10 DHCDMN CN(C)c1ccc(CN2CCC(=O)C(C)(C)C2)c2ccccc21 ZINC001204239706 1035467820 /nfs/dbraw/zinc/46/78/20/1035467820.db2.gz DGVOZGHDLNNNNT-UHFFFAOYSA-N 0 1 310.441 3.707 20 10 DHCDMN C[C@H]1Cc2cc(C[NH2+]Cc3c([O-])cccc3Cl)ccc2O1 ZINC001179537371 1035481387 /nfs/dbraw/zinc/48/13/87/1035481387.db2.gz ISYOWWIDNNPJFW-NSHDSACASA-N 0 1 303.789 3.659 20 10 DHCDMN Cc1cccc2nc(NC(=O)C=Cc3ccc(N(C)C)cc3)[nH]c21 ZINC001180122331 1035604119 /nfs/dbraw/zinc/60/41/19/1035604119.db2.gz ROSWUCCTWVROHM-FMIVXFBMSA-N 0 1 320.396 3.589 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1[O-] ZINC001180194366 1035627972 /nfs/dbraw/zinc/62/79/72/1035627972.db2.gz DDUSNKZEXYUHDB-UHFFFAOYSA-N 0 1 307.340 3.788 20 10 DHCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)c1cccc(O)c1 ZINC001180240016 1035631472 /nfs/dbraw/zinc/63/14/72/1035631472.db2.gz RWEPEYPSZCVRHL-LLVKDONJSA-N 0 1 307.340 3.959 20 10 DHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC=CCC1 ZINC001180332593 1035659339 /nfs/dbraw/zinc/65/93/39/1035659339.db2.gz RWXXCYFNNKPASD-UHFFFAOYSA-N 0 1 302.599 3.570 20 10 DHCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC=CCC1 ZINC001180332593 1035659348 /nfs/dbraw/zinc/65/93/48/1035659348.db2.gz RWXXCYFNNKPASD-UHFFFAOYSA-N 0 1 302.599 3.570 20 10 DHCDMN C[C@H](CCc1ccccc1)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634189 1035684360 /nfs/dbraw/zinc/68/43/60/1035684360.db2.gz RYRJQYBLRUJQQQ-LLVKDONJSA-N 0 1 319.788 3.502 20 10 DHCDMN Cc1ccc2c(c1)N(Cc1ccc(F)c(F)c1O)C[C@H](C)O2 ZINC001180646326 1035734204 /nfs/dbraw/zinc/73/42/04/1035734204.db2.gz JHJIXTGWDCCKSH-NSHDSACASA-N 0 1 305.324 3.766 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775634696 1036127264 /nfs/dbraw/zinc/12/72/64/1036127264.db2.gz UVNMXQQZTSOKKU-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN Cc1cc(Cl)cc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000775650805 1036225478 /nfs/dbraw/zinc/22/54/78/1036225478.db2.gz GAEDFIZMOGWREB-UHFFFAOYSA-N 0 1 320.776 3.894 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000774402548 1036318696 /nfs/dbraw/zinc/31/86/96/1036318696.db2.gz RJYRTRAMICUEFE-DOTOQJQBSA-N 0 1 323.795 3.959 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000775667554 1036329315 /nfs/dbraw/zinc/32/93/15/1036329315.db2.gz LAKVAWRIBQSGNW-CYBMUJFWSA-N 0 1 309.772 3.635 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccccn2)cc1F ZINC000152026843 1036799460 /nfs/dbraw/zinc/79/94/60/1036799460.db2.gz OEVNIROJHDDPED-AWEZNQCLSA-N 0 1 301.409 3.918 20 10 DHCDMN COc1ccc(F)cc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000237178106 1036993872 /nfs/dbraw/zinc/99/38/72/1036993872.db2.gz ANVZWDKHIKLCJL-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC1(F)CCC1 ZINC000702531068 1037105612 /nfs/dbraw/zinc/10/56/12/1037105612.db2.gz HILMEPVKHQWHHA-UHFFFAOYSA-N 0 1 302.187 3.527 20 10 DHCDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774879603 1037153922 /nfs/dbraw/zinc/15/39/22/1037153922.db2.gz JGTMWLMJSBYCPW-NEPJUHHUSA-N 0 1 322.405 3.708 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774904877 1037196616 /nfs/dbraw/zinc/19/66/16/1037196616.db2.gz WVLWNEMOJRRSFL-CYBMUJFWSA-N 0 1 322.405 3.567 20 10 DHCDMN COc1c([O-])c(C[N@@H+](CC(C)C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774906883 1037199420 /nfs/dbraw/zinc/19/94/20/1037199420.db2.gz BISLILLBZOFNMP-UHFFFAOYSA-N 0 1 324.421 3.813 20 10 DHCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093337766 1037247614 /nfs/dbraw/zinc/24/76/14/1037247614.db2.gz VDIQLLGUAXFBEO-SNVBAGLBSA-N 0 1 304.217 3.557 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775207354 1038008068 /nfs/dbraw/zinc/00/80/68/1038008068.db2.gz UYNDBJSBTKGIES-LBPRGKRZSA-N 0 1 322.405 3.710 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483461 1038550602 /nfs/dbraw/zinc/55/06/02/1038550602.db2.gz WBRCMYXJWAYTPF-LSDHHAIUSA-N 0 1 322.836 3.982 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000775492770 1038569250 /nfs/dbraw/zinc/56/92/50/1038569250.db2.gz QWRQEWAGFZDDGS-CABCVRRESA-N 0 1 319.836 3.897 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(F)c1 ZINC000227436110 1040262338 /nfs/dbraw/zinc/26/23/38/1040262338.db2.gz RFGOPSBKGWFLPB-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN CO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(C)cc2O)cs1 ZINC000273367555 130113214 /nfs/dbraw/zinc/11/32/14/130113214.db2.gz BSSXCFKFAYEWMY-RYUDHWBXSA-N 0 1 306.431 3.715 20 10 DHCDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000273425844 130121077 /nfs/dbraw/zinc/12/10/77/130121077.db2.gz UBAGKMIFMXCGKM-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553560 130135079 /nfs/dbraw/zinc/13/50/79/130135079.db2.gz GLGLXFGFAOHNJV-VHSXEESVSA-N 0 1 305.249 3.690 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000273605167 130143769 /nfs/dbraw/zinc/14/37/69/130143769.db2.gz TWWJIJCHXIGRMF-MWLCHTKSSA-N 0 1 316.264 3.701 20 10 DHCDMN CCSc1cc(CNCc2ccc(N(C)C)c(F)c2)ccn1 ZINC000275028433 130285803 /nfs/dbraw/zinc/28/58/03/130285803.db2.gz BFROZOGMBPSZQI-UHFFFAOYSA-N 0 1 319.449 3.689 20 10 DHCDMN CN(C)c1ccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285458899 131170195 /nfs/dbraw/zinc/17/01/95/131170195.db2.gz AFGSSALFJXUOKY-SFHVURJKSA-N 0 1 312.461 3.887 20 10 DHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186075388 333372083 /nfs/dbraw/zinc/37/20/83/333372083.db2.gz UUCOXDKBIOHWKT-ZIAGYGMSSA-N 0 1 301.430 3.993 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCC23CCOCC3)c1[O-] ZINC000282801637 334137227 /nfs/dbraw/zinc/13/72/27/334137227.db2.gz RZLQSWHXQQVJKO-OAHLLOKOSA-N 0 1 309.837 3.793 20 10 DHCDMN CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000292803921 334192623 /nfs/dbraw/zinc/19/26/23/334192623.db2.gz NWZZQDIRNIOAQX-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000292803918 334192680 /nfs/dbraw/zinc/19/26/80/334192680.db2.gz NWZZQDIRNIOAQX-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000377694273 337058793 /nfs/dbraw/zinc/05/87/93/337058793.db2.gz IFDVXLDHLNSBMU-BVYOLEPJSA-N 0 1 319.445 3.502 20 10 DHCDMN CC[C@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccccc1O ZINC000185210214 337203419 /nfs/dbraw/zinc/20/34/19/337203419.db2.gz DGHHCYUEFXBOBO-WMZOPIPTSA-N 0 1 322.412 3.649 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684550 337250111 /nfs/dbraw/zinc/25/01/11/337250111.db2.gz JMLZGGXNUALAHV-HIFRSBDPSA-N 0 1 314.433 3.601 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684512 337250178 /nfs/dbraw/zinc/25/01/78/337250178.db2.gz JMLZGGXNUALAHV-UKRRQHHQSA-N 0 1 314.433 3.601 20 10 DHCDMN COc1cccc([C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])OC)c1 ZINC000527737439 337758824 /nfs/dbraw/zinc/75/88/24/337758824.db2.gz NPVGKRVLHJDXHK-QGZVFWFLSA-N 0 1 321.804 3.532 20 10 DHCDMN CC[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(C(F)(F)F)cc1[O-] ZINC000527983599 337777699 /nfs/dbraw/zinc/77/76/99/337777699.db2.gz WSCPOAVGZRMLEY-VROQLPPWSA-N 0 1 315.335 3.631 20 10 DHCDMN COC[C@H](NCc1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000182530138 522748581 /nfs/dbraw/zinc/74/85/81/522748581.db2.gz SZSCGEXPHKSAAV-AWEZNQCLSA-N 0 1 309.793 3.733 20 10 DHCDMN CCc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000151077122 524046443 /nfs/dbraw/zinc/04/64/43/524046443.db2.gz AOYYRJDKQMRKPF-HNNXBMFYSA-N 0 1 314.429 3.529 20 10 DHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H]1OCCc2sccc21 ZINC000366475033 525427685 /nfs/dbraw/zinc/42/76/85/525427685.db2.gz OYYCCEHOUNOSQG-MGPLVRAMSA-N 0 1 323.845 3.899 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130224235 525444722 /nfs/dbraw/zinc/44/47/22/525444722.db2.gz SOSQABBZBMOQDD-ZDUSSCGKSA-N 0 1 315.486 3.939 20 10 DHCDMN Oc1ccc(Br)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000127478297 526340963 /nfs/dbraw/zinc/34/09/63/526340963.db2.gz WYLKWZUBPGNXDQ-AWEZNQCLSA-N 0 1 321.218 3.820 20 10 DHCDMN O=C([O-])CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001595018728 951306026 /nfs/dbraw/zinc/30/60/26/951306026.db2.gz BPMZONQXQDEETD-CQSZACIVSA-N 0 1 313.397 3.622 20 10 DHCDMN COc1ccccc1CC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000729463645 1013440156 /nfs/dbraw/zinc/44/01/56/1013440156.db2.gz NZTDVPQJNRSPDZ-UHFFFAOYSA-N 0 1 322.408 3.624 20 10 DHCDMN COc1ccccc1CC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000729463645 1013440162 /nfs/dbraw/zinc/44/01/62/1013440162.db2.gz NZTDVPQJNRSPDZ-UHFFFAOYSA-N 0 1 322.408 3.624 20 10 DHCDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715718469 1018951653 /nfs/dbraw/zinc/95/16/53/1018951653.db2.gz NSUQYEANYDVUJZ-UWVGGRQHSA-N 0 1 316.214 3.914 20 10 DHCDMN COCCOCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000322392640 1032094402 /nfs/dbraw/zinc/09/44/02/1032094402.db2.gz MUSIKKUNBSGGIF-HNNXBMFYSA-N 0 1 317.429 3.639 20 10 DHCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595405920 980988522 /nfs/dbraw/zinc/98/85/22/980988522.db2.gz VHYZEXWTXZDWPV-IAQYHMDHSA-N 0 1 318.392 3.636 20 10 DHCDMN Oc1c(F)cc(F)cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000895387817 1015121458 /nfs/dbraw/zinc/12/14/58/1015121458.db2.gz DKKMWUGBDVQWBP-JTQLQIEISA-N 0 1 324.274 3.520 20 10 DHCDMN CC[C@H]1COCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738082449 1015184924 /nfs/dbraw/zinc/18/49/24/1015184924.db2.gz ABUXXITZQSHARS-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@H]1COCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738082449 1015184928 /nfs/dbraw/zinc/18/49/28/1015184928.db2.gz ABUXXITZQSHARS-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@H]1COCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738082449 1015184932 /nfs/dbraw/zinc/18/49/32/1015184932.db2.gz ABUXXITZQSHARS-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@H]1COCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738082449 1015184937 /nfs/dbraw/zinc/18/49/37/1015184937.db2.gz ABUXXITZQSHARS-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN [O-]c1c(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc(F)c1F ZINC000895788323 1015303248 /nfs/dbraw/zinc/30/32/48/1015303248.db2.gz PLSRRTGKVIWFTA-HZMBPMFUSA-N 0 1 321.289 3.835 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)c2ccccn2)cc1Cl ZINC000826036304 1033666755 /nfs/dbraw/zinc/66/67/55/1033666755.db2.gz FMACTKGRGMTQKI-UHFFFAOYSA-N 0 1 304.821 3.816 20 10 DHCDMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234233 1016090977 /nfs/dbraw/zinc/09/09/77/1016090977.db2.gz MPBFERVZEQOQAA-XQQFMLRXSA-N 0 1 302.422 3.744 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000108880033 1016635565 /nfs/dbraw/zinc/63/55/65/1016635565.db2.gz WDAMZEXWUMRVPX-GFCCVEGCSA-N 0 1 303.789 3.702 20 10 DHCDMN CC[C@H](C[NH2+][C@H](CC)c1cc(Br)ccc1[O-])OC ZINC000386591513 1016878201 /nfs/dbraw/zinc/87/82/01/1016878201.db2.gz JMDIKYQWYSCQST-DGCLKSJQSA-N 0 1 316.239 3.620 20 10 DHCDMN CCOc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccc1OC ZINC000114505473 1016992943 /nfs/dbraw/zinc/99/29/43/1016992943.db2.gz ULLCUYTVQXNUTM-UHFFFAOYSA-N 0 1 321.804 3.743 20 10 DHCDMN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185652387 1017079277 /nfs/dbraw/zinc/07/92/77/1017079277.db2.gz AKZNWZBZBYTWRF-MAUKXSAKSA-N 0 1 321.420 3.972 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000840876586 1017257829 /nfs/dbraw/zinc/25/78/29/1017257829.db2.gz XHFXWQNHUYNJOD-OAHLLOKOSA-N 0 1 324.877 3.808 20 10 DHCDMN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037140263 1032644804 /nfs/dbraw/zinc/64/48/04/1032644804.db2.gz BQTXCMHDFITHDU-GFCCVEGCSA-N 0 1 305.805 3.862 20 10 DHCDMN CC(C)c1ncc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC000799737096 1012627177 /nfs/dbraw/zinc/62/71/77/1012627177.db2.gz VUTBQDGTYVZARB-UHFFFAOYSA-N 0 1 305.809 3.591 20 10 DHCDMN CC1CCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857854074 1032689940 /nfs/dbraw/zinc/68/99/40/1032689940.db2.gz IPCREHNVGWLDIJ-LJQANCHMSA-N 0 1 324.472 3.813 20 10 DHCDMN Cc1noc(C)c1CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840906286 1017445347 /nfs/dbraw/zinc/44/53/47/1017445347.db2.gz XDIDLHLXOSDGLD-UHFFFAOYSA-N 0 1 308.809 3.681 20 10 DHCDMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000278177913 1018286920 /nfs/dbraw/zinc/28/69/20/1018286920.db2.gz BIHXILNXAFEUFL-OAHLLOKOSA-N 0 1 309.457 3.877 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000125963953 1018338676 /nfs/dbraw/zinc/33/86/76/1018338676.db2.gz JZTFIFJEPFTSRR-CYBMUJFWSA-N 0 1 310.191 3.989 20 10 DHCDMN c1csc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000278577561 1018864057 /nfs/dbraw/zinc/86/40/57/1018864057.db2.gz OLLSUQMVIRKZHF-HNNXBMFYSA-N 0 1 320.483 3.526 20 10 DHCDMN CCOc1ccc(CNCc2c(F)cc(C)cc2F)c(O)c1 ZINC000922946068 1018927428 /nfs/dbraw/zinc/92/74/28/1018927428.db2.gz BAJKRXVUUBPIRU-UHFFFAOYSA-N 0 1 307.340 3.667 20 10 DHCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715712542 1018950674 /nfs/dbraw/zinc/95/06/74/1018950674.db2.gz LTBCSRAJMKTZKE-VHSXEESVSA-N 0 1 316.214 3.914 20 10 DHCDMN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(F)c1 ZINC000187061963 1018979341 /nfs/dbraw/zinc/97/93/41/1018979341.db2.gz OKBQNJNUNDALMD-UHFFFAOYSA-N 0 1 323.389 3.566 20 10 DHCDMN Cc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1F ZINC000187061413 1018983192 /nfs/dbraw/zinc/98/31/92/1018983192.db2.gz HUOTWKIUHDJLIW-UHFFFAOYSA-N 0 1 323.389 3.566 20 10 DHCDMN CSCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134922239 1019052346 /nfs/dbraw/zinc/05/23/46/1019052346.db2.gz MWKXSEMGGCLOFZ-VIFPVBQESA-N 0 1 304.253 3.558 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800286134 1019131152 /nfs/dbraw/zinc/13/11/52/1019131152.db2.gz IJZJCCCEEFRMOS-HNNXBMFYSA-N 0 1 308.208 3.956 20 10 DHCDMN CC[C@@H](NCc1ccc2c(c1)CCCO2)c1c(C)noc1C ZINC000921937157 1019160961 /nfs/dbraw/zinc/16/09/61/1019160961.db2.gz XOKSNQQHTUEZID-MRXNPFEDSA-N 0 1 300.402 3.857 20 10 DHCDMN CCc1ncc(CNCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858294342 1032836793 /nfs/dbraw/zinc/83/67/93/1032836793.db2.gz FEQWFTYQAZXILZ-UHFFFAOYSA-N 0 1 320.440 3.736 20 10 DHCDMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000139972072 1019881222 /nfs/dbraw/zinc/88/12/22/1019881222.db2.gz WBVCDKZIODDTQG-KRWDZBQOSA-N 0 1 313.372 3.764 20 10 DHCDMN Oc1c(F)cc(Br)cc1CN1CCCC(F)(F)C1 ZINC000715798825 1020027095 /nfs/dbraw/zinc/02/70/95/1020027095.db2.gz XXJUUTXRFXVKSH-UHFFFAOYSA-N 0 1 324.140 3.525 20 10 DHCDMN CC(C)c1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000731846110 1020158072 /nfs/dbraw/zinc/15/80/72/1020158072.db2.gz RYTFCOVXYWFCDI-UHFFFAOYSA-N 0 1 315.417 3.843 20 10 DHCDMN O=C(Nc1cccc(CN2CCCCC2)c1)C1=CC(=O)CS1 ZINC000731868909 1020167551 /nfs/dbraw/zinc/16/75/51/1020167551.db2.gz DKKLVSKOQJIMMP-UHFFFAOYSA-N 0 1 316.426 3.692 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922681742 1020204462 /nfs/dbraw/zinc/20/44/62/1020204462.db2.gz SHHRWPRMFTTYSR-ZANVPECISA-N 0 1 323.742 3.635 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676900 1020209730 /nfs/dbraw/zinc/20/97/30/1020209730.db2.gz DBQLCWNQDWQPSR-WCQYABFASA-N 0 1 323.742 3.635 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCS1 ZINC000922842498 1020298974 /nfs/dbraw/zinc/29/89/74/1020298974.db2.gz MLKNNBXHAQTEPW-BXKDBHETSA-N 0 1 316.264 3.528 20 10 DHCDMN CCC(=O)Nc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733324722 1020372543 /nfs/dbraw/zinc/37/25/43/1020372543.db2.gz WLXGWXUQHXMDAR-UHFFFAOYSA-N 0 1 318.804 3.684 20 10 DHCDMN CCOc1c(Cl)cccc1CNCc1ccc2c(c1)CCO2 ZINC000785448159 1020432542 /nfs/dbraw/zinc/43/25/42/1020432542.db2.gz LTZSJVLYCZSRFX-UHFFFAOYSA-N 0 1 317.816 3.963 20 10 DHCDMN Cc1csc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000379274321 1020549732 /nfs/dbraw/zinc/54/97/32/1020549732.db2.gz NSXXIWRLRZDKSO-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN CC[C@@H]1COCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738082446 1020859569 /nfs/dbraw/zinc/85/95/69/1020859569.db2.gz ABUXXITZQSHARS-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@@H]1COCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738082446 1020859575 /nfs/dbraw/zinc/85/95/75/1020859575.db2.gz ABUXXITZQSHARS-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@@H]1COCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738082446 1020859580 /nfs/dbraw/zinc/85/95/80/1020859580.db2.gz ABUXXITZQSHARS-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cc(Br)ccc1[O-] ZINC000311096359 1021213015 /nfs/dbraw/zinc/21/30/15/1021213015.db2.gz SGHATIXTWZCLAS-ZWNOBZJWSA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@@H]1C[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000917414809 1021257828 /nfs/dbraw/zinc/25/78/28/1021257828.db2.gz NHZAYAKIEUWCNL-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)cc(Cl)c1O)N2 ZINC000917421749 1021263265 /nfs/dbraw/zinc/26/32/65/1021263265.db2.gz ZPVGUWXBDLGJCN-CQSZACIVSA-N 0 1 323.179 3.862 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000917434299 1021265018 /nfs/dbraw/zinc/26/50/18/1021265018.db2.gz ZMSHOVJDBXSOFX-UHFFFAOYSA-N 0 1 315.413 3.628 20 10 DHCDMN CC1(C)C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000917434299 1021265036 /nfs/dbraw/zinc/26/50/36/1021265036.db2.gz ZMSHOVJDBXSOFX-UHFFFAOYSA-N 0 1 315.413 3.628 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000917434299 1021265047 /nfs/dbraw/zinc/26/50/47/1021265047.db2.gz ZMSHOVJDBXSOFX-UHFFFAOYSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428771 1021266075 /nfs/dbraw/zinc/26/60/75/1021266075.db2.gz XKNSMJPPPRAJBV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428771 1021266082 /nfs/dbraw/zinc/26/60/82/1021266082.db2.gz XKNSMJPPPRAJBV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428771 1021266089 /nfs/dbraw/zinc/26/60/89/1021266089.db2.gz XKNSMJPPPRAJBV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000069628654 1021276208 /nfs/dbraw/zinc/27/62/08/1021276208.db2.gz BENWVKLCHSWNGF-IUODEOHRSA-N 0 1 302.393 3.898 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850515487 1021573485 /nfs/dbraw/zinc/57/34/85/1021573485.db2.gz LOQLAXAAQGLZNB-MFKMUULPSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850521544 1021574519 /nfs/dbraw/zinc/57/45/19/1021574519.db2.gz WEDCXNHKQUAVHQ-DGCLKSJQSA-N 0 1 305.752 3.511 20 10 DHCDMN CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850521547 1021575128 /nfs/dbraw/zinc/57/51/28/1021575128.db2.gz WEDCXNHKQUAVHQ-YPMHNXCESA-N 0 1 305.752 3.511 20 10 DHCDMN CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850521542 1021575776 /nfs/dbraw/zinc/57/57/76/1021575776.db2.gz WEDCXNHKQUAVHQ-AAEUAGOBSA-N 0 1 305.752 3.511 20 10 DHCDMN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850535776 1021591241 /nfs/dbraw/zinc/59/12/41/1021591241.db2.gz BIXGBPMSXIFOFW-PELKAZGASA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850572498 1021615000 /nfs/dbraw/zinc/61/50/00/1021615000.db2.gz KUGMCZUMHSPECB-FHSNZYRGSA-N 0 1 319.832 3.861 20 10 DHCDMN CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1O ZINC000024034645 1021700241 /nfs/dbraw/zinc/70/02/41/1021700241.db2.gz WFSRQFLYIQWQIK-AWEZNQCLSA-N 0 1 323.179 3.577 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccnc(Cl)c1 ZINC000122454959 1021715719 /nfs/dbraw/zinc/71/57/19/1021715719.db2.gz BQJKYHQQPWKNBL-LLVKDONJSA-N 0 1 307.800 3.791 20 10 DHCDMN C[N@H+](CCc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000919948493 1021983518 /nfs/dbraw/zinc/98/35/18/1021983518.db2.gz MFJULRNCAVZIPL-UHFFFAOYSA-N 0 1 310.372 3.754 20 10 DHCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000919948493 1021983529 /nfs/dbraw/zinc/98/35/29/1021983529.db2.gz MFJULRNCAVZIPL-UHFFFAOYSA-N 0 1 310.372 3.754 20 10 DHCDMN Oc1ccccc1CN(Cc1ccco1)C[C@H]1CCCCO1 ZINC000070975727 1021994904 /nfs/dbraw/zinc/99/49/04/1021994904.db2.gz KAXMRJYRLQCRHG-MRXNPFEDSA-N 0 1 301.386 3.557 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853594414 1022297413 /nfs/dbraw/zinc/29/74/13/1022297413.db2.gz QLYPXAJYFSJKPO-QGZVFWFLSA-N 0 1 320.392 3.594 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000853594414 1022297420 /nfs/dbraw/zinc/29/74/20/1022297420.db2.gz QLYPXAJYFSJKPO-QGZVFWFLSA-N 0 1 320.392 3.594 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184857700 1022430580 /nfs/dbraw/zinc/43/05/80/1022430580.db2.gz BFEKAKSZIMVXLN-RISCZKNCSA-N 0 1 308.809 3.592 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689882366 1022703567 /nfs/dbraw/zinc/70/35/67/1022703567.db2.gz OIVGIHIWLXCXTM-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN CC(C)(C)Oc1cccc(CNCc2c(O)cccc2Cl)n1 ZINC000767417069 1022705959 /nfs/dbraw/zinc/70/59/59/1022705959.db2.gz GQQZXWMVWUOCGT-UHFFFAOYSA-N 0 1 320.820 3.908 20 10 DHCDMN COc1ccc(O)c(C[N@@H+](C)Cc2cccc(OC(C)C)c2)c1 ZINC000180641222 1022775808 /nfs/dbraw/zinc/77/58/08/1022775808.db2.gz ORZKNVUFCMEOEJ-UHFFFAOYSA-N 0 1 315.413 3.820 20 10 DHCDMN CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1C ZINC000756533710 1022812769 /nfs/dbraw/zinc/81/27/69/1022812769.db2.gz HDSFZRCCNDGHIL-JTQLQIEISA-N 0 1 307.825 3.730 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cnn(C(C)C)c2)cc1 ZINC000768207309 1022915190 /nfs/dbraw/zinc/91/51/90/1022915190.db2.gz BRTSGIDJQKEWBJ-UHFFFAOYSA-N 0 1 314.477 3.942 20 10 DHCDMN COCC[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000768196366 1022925922 /nfs/dbraw/zinc/92/59/22/1022925922.db2.gz BUJVVFRVPZASBY-UHFFFAOYSA-N 0 1 311.834 3.756 20 10 DHCDMN COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000768196366 1022925929 /nfs/dbraw/zinc/92/59/29/1022925929.db2.gz BUJVVFRVPZASBY-UHFFFAOYSA-N 0 1 311.834 3.756 20 10 DHCDMN CN(Cc1cc(Cl)cn1C)Cc1cc2c(cc1O)CCCC2 ZINC000768464369 1022974569 /nfs/dbraw/zinc/97/45/69/1022974569.db2.gz QCLAAQPBRLTMJI-UHFFFAOYSA-N 0 1 318.848 3.895 20 10 DHCDMN C[C@@H](C1CC1)[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768532869 1022984392 /nfs/dbraw/zinc/98/43/92/1022984392.db2.gz PNBOAMUTNPTZGR-JTQLQIEISA-N 0 1 310.235 3.918 20 10 DHCDMN C[C@@H](C1CC1)[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768532869 1022984402 /nfs/dbraw/zinc/98/44/02/1022984402.db2.gz PNBOAMUTNPTZGR-JTQLQIEISA-N 0 1 310.235 3.918 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000768869224 1023043541 /nfs/dbraw/zinc/04/35/41/1023043541.db2.gz RNTCZOMEMZKCIA-UHFFFAOYSA-N 0 1 324.207 3.963 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000768869224 1023043553 /nfs/dbraw/zinc/04/35/53/1023043553.db2.gz RNTCZOMEMZKCIA-UHFFFAOYSA-N 0 1 324.207 3.963 20 10 DHCDMN COc1cc(Br)cc(C[N@H+](C)CC(C)(C)C)c1[O-] ZINC000768937236 1023060160 /nfs/dbraw/zinc/06/01/60/1023060160.db2.gz MCYZCMWJJNHPPB-UHFFFAOYSA-N 0 1 316.239 3.641 20 10 DHCDMN COc1cc(Br)cc(C[N@@H+](C)CC(C)(C)C)c1[O-] ZINC000768937236 1023060168 /nfs/dbraw/zinc/06/01/68/1023060168.db2.gz MCYZCMWJJNHPPB-UHFFFAOYSA-N 0 1 316.239 3.641 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770286390 1023291045 /nfs/dbraw/zinc/29/10/45/1023291045.db2.gz NZFLBHKLSJEQCV-IINYFYTJSA-N 0 1 316.228 3.700 20 10 DHCDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])n1 ZINC000876739507 1033131513 /nfs/dbraw/zinc/13/15/13/1033131513.db2.gz JGISHYCQQVKYFO-HNNXBMFYSA-N 0 1 304.340 3.711 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000771937573 1023489173 /nfs/dbraw/zinc/48/91/73/1023489173.db2.gz GJLZSVXUTNTOMC-CQSZACIVSA-N 0 1 318.760 3.901 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000771937573 1023489176 /nfs/dbraw/zinc/48/91/76/1023489176.db2.gz GJLZSVXUTNTOMC-CQSZACIVSA-N 0 1 318.760 3.901 20 10 DHCDMN COc1ncccc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000785662341 1023606843 /nfs/dbraw/zinc/60/68/43/1023606843.db2.gz WYRNXDHMIBTTJZ-UHFFFAOYSA-N 0 1 313.445 3.567 20 10 DHCDMN C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1cc(F)ccc1O ZINC000756761723 1023730821 /nfs/dbraw/zinc/73/08/21/1023730821.db2.gz UDEVYBRLEROWBR-XPTSAGLGSA-N 0 1 307.752 3.969 20 10 DHCDMN C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1cc(F)ccc1O ZINC000756761711 1023732426 /nfs/dbraw/zinc/73/24/26/1023732426.db2.gz UDEVYBRLEROWBR-LKFCYVNXSA-N 0 1 307.752 3.969 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccnc1Cl ZINC000269065851 1024235787 /nfs/dbraw/zinc/23/57/87/1024235787.db2.gz YYFXSTDNQQBIBL-CYBMUJFWSA-N 0 1 315.848 3.968 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883307281 1024360268 /nfs/dbraw/zinc/36/02/68/1024360268.db2.gz QKABTCBBJMAXOU-UHFFFAOYSA-N 0 1 324.211 3.658 20 10 DHCDMN C[NH+](C)Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790950881 1024402085 /nfs/dbraw/zinc/40/20/85/1024402085.db2.gz GORCUTNXDLBOTO-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN CCN(Cc1cccc(Br)c1O)CC(F)(F)F ZINC000132519263 1024481258 /nfs/dbraw/zinc/48/12/58/1024481258.db2.gz GGINQMVSPNZWEP-UHFFFAOYSA-N 0 1 312.129 3.539 20 10 DHCDMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC000792166638 1024640511 /nfs/dbraw/zinc/64/05/11/1024640511.db2.gz FDFPGOPBFZBDDL-LBPRGKRZSA-N 0 1 323.795 3.568 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)c1 ZINC000792169947 1024641406 /nfs/dbraw/zinc/64/14/06/1024641406.db2.gz NSSFYTLKRPVDAY-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN C[C@H]1COCCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000772821549 1024792597 /nfs/dbraw/zinc/79/25/97/1024792597.db2.gz BAYIMJTYTUAIFI-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@H]1COCCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000772821549 1024792609 /nfs/dbraw/zinc/79/26/09/1024792609.db2.gz BAYIMJTYTUAIFI-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793340568 1024985022 /nfs/dbraw/zinc/98/50/22/1024985022.db2.gz QRSCYCTXHMYHDI-HNNXBMFYSA-N 0 1 301.789 3.576 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+](CC1CC1)C1CCC1 ZINC000793395820 1025034004 /nfs/dbraw/zinc/03/40/04/1025034004.db2.gz UDXYWLCIHBJWEK-UHFFFAOYSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000793395820 1025034013 /nfs/dbraw/zinc/03/40/13/1025034013.db2.gz UDXYWLCIHBJWEK-UHFFFAOYSA-N 0 1 310.235 3.919 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1F ZINC000793542060 1025088139 /nfs/dbraw/zinc/08/81/39/1025088139.db2.gz PDEKNVOVGDQZRN-AWEZNQCLSA-N 0 1 318.440 3.565 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000825939860 1033260501 /nfs/dbraw/zinc/26/05/01/1033260501.db2.gz IMHMFEHWWAGGKA-PXAZEXFGSA-N 0 1 305.805 3.566 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc1Cl ZINC000825944091 1033268320 /nfs/dbraw/zinc/26/83/20/1033268320.db2.gz PTUGXVYXMKRPPP-APPDUMDISA-N 0 1 303.789 3.966 20 10 DHCDMN C[C@H](c1ccccc1)N(CC1=NOCC1)Cc1ccccc1O ZINC001168244938 1025386080 /nfs/dbraw/zinc/38/60/80/1025386080.db2.gz VKYAHPDXWFDQFI-OAHLLOKOSA-N 0 1 310.397 3.732 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)CSC)c1cc(Br)ccc1[O-] ZINC000137415052 1025566058 /nfs/dbraw/zinc/56/60/58/1025566058.db2.gz DDCLPTXWXJPBHK-SKDRFNHKSA-N 0 1 318.280 3.947 20 10 DHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000807836592 1026129156 /nfs/dbraw/zinc/12/91/56/1026129156.db2.gz GTCBZYDJWIPMSX-YFKPBYRVSA-N 0 1 316.106 3.514 20 10 DHCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807839621 1026132338 /nfs/dbraw/zinc/13/23/38/1026132338.db2.gz QHBSDNCNYZXIOL-QMMMGPOBSA-N 0 1 302.201 3.751 20 10 DHCDMN C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000093644408 1026121468 /nfs/dbraw/zinc/12/14/68/1026121468.db2.gz VIZPDUHPMOWJOV-GWCFXTLKSA-N 0 1 317.260 3.614 20 10 DHCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289669649 1026121782 /nfs/dbraw/zinc/12/17/82/1026121782.db2.gz FVKPTJIGQYMERW-OAHLLOKOSA-N 0 1 323.408 3.513 20 10 DHCDMN CC[C@@H](C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839965 1026124404 /nfs/dbraw/zinc/12/44/04/1026124404.db2.gz NZQGTESLVJQYKE-BDAKNGLRSA-N 0 1 304.217 3.997 20 10 DHCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093839050 1026127632 /nfs/dbraw/zinc/12/76/32/1026127632.db2.gz SZXBQVUDODGOOJ-SNVBAGLBSA-N 0 1 304.217 3.557 20 10 DHCDMN O=C(Cc1ccsc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839576 1026130939 /nfs/dbraw/zinc/13/09/39/1026130939.db2.gz PCNLEWXORQKGJR-UHFFFAOYSA-N 0 1 316.209 3.619 20 10 DHCDMN Cc1cscc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838619 1026132373 /nfs/dbraw/zinc/13/23/73/1026132373.db2.gz ZFUQZFXCROBJBJ-UHFFFAOYSA-N 0 1 316.209 3.999 20 10 DHCDMN CCc1nc(C)cc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808090184 1026201656 /nfs/dbraw/zinc/20/16/56/1026201656.db2.gz SGLUFOAOSFZHSN-UHFFFAOYSA-N 0 1 312.200 3.972 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2c1CCCC2 ZINC000808088920 1026201711 /nfs/dbraw/zinc/20/17/11/1026201711.db2.gz GMQHPYMFUSRGPX-UHFFFAOYSA-N 0 1 324.211 3.980 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccnc2ccncc21 ZINC000808090276 1026202831 /nfs/dbraw/zinc/20/28/31/1026202831.db2.gz XDUSGUCOGNEIAW-UHFFFAOYSA-N 0 1 320.179 3.676 20 10 DHCDMN Oc1c(Br)cccc1CN[C@H](C1CC1)C(F)(F)F ZINC000808438683 1026286064 /nfs/dbraw/zinc/28/60/64/1026286064.db2.gz KODHULXHZOQOAM-LLVKDONJSA-N 0 1 324.140 3.585 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808726394 1026370083 /nfs/dbraw/zinc/37/00/83/1026370083.db2.gz ANSCRZZLULXYNT-NWDGAFQWSA-N 0 1 303.789 3.872 20 10 DHCDMN CC(C)n1cc(CN(Cc2ccccc2O)C2CCCC2)nn1 ZINC000809574439 1026553316 /nfs/dbraw/zinc/55/33/16/1026553316.db2.gz MHAGDLZGKSTHGE-UHFFFAOYSA-N 0 1 314.433 3.509 20 10 DHCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809767435 1026605998 /nfs/dbraw/zinc/60/59/98/1026605998.db2.gz KVMHFGANOPYECF-LBPRGKRZSA-N 0 1 306.233 3.538 20 10 DHCDMN CC[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265623 1026622835 /nfs/dbraw/zinc/62/28/35/1026622835.db2.gz XMMSPSJRZOINCO-CVEARBPZSA-N 0 1 321.367 3.753 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214722 1026708634 /nfs/dbraw/zinc/70/86/34/1026708634.db2.gz HIGFQXWJSGZYKM-GXFFZTMASA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218963 1026708710 /nfs/dbraw/zinc/70/87/10/1026708710.db2.gz YPPBODHCXIIOHB-HIFRSBDPSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+]C[C@](C)(O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217223 1026709448 /nfs/dbraw/zinc/70/94/48/1026709448.db2.gz YXXVRNXMWGYTQL-GXTWGEPZSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215592 1026709736 /nfs/dbraw/zinc/70/97/36/1026709736.db2.gz HSTWBFQQGDDYFQ-AWEZNQCLSA-N 0 1 318.383 3.792 20 10 DHCDMN CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227278 1026714311 /nfs/dbraw/zinc/71/43/11/1026714311.db2.gz VBURXGLIQCFUQV-CYBMUJFWSA-N 0 1 313.323 3.683 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230884 1026715605 /nfs/dbraw/zinc/71/56/05/1026715605.db2.gz NEXZCRPQXOJOIJ-SKDRFNHKSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810257015 1026732188 /nfs/dbraw/zinc/73/21/88/1026732188.db2.gz LAYAMDUJPKWYGI-GBIKHYSHSA-N 0 1 305.340 3.875 20 10 DHCDMN COc1ccc2c(c1)C1(CC1)CN(Cc1cc(F)ccc1O)C2 ZINC000811518837 1027019975 /nfs/dbraw/zinc/01/99/75/1027019975.db2.gz PWRVHPSYOTVIRE-UHFFFAOYSA-N 0 1 313.372 3.587 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1[C@H]1CCCO1 ZINC000811510319 1027027390 /nfs/dbraw/zinc/02/73/90/1027027390.db2.gz CARXCQXGIJRCOX-UKRRQHHQSA-N 0 1 313.800 3.574 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788694 1027147743 /nfs/dbraw/zinc/14/77/43/1027147743.db2.gz CDIBKLODWFTQBD-AWEZNQCLSA-N 0 1 317.816 3.947 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780789748 1027192405 /nfs/dbraw/zinc/19/24/05/1027192405.db2.gz OVCVFWCWYPXPKL-CQSZACIVSA-N 0 1 317.816 3.947 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780789748 1027192412 /nfs/dbraw/zinc/19/24/12/1027192412.db2.gz OVCVFWCWYPXPKL-CQSZACIVSA-N 0 1 317.816 3.947 20 10 DHCDMN CC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000812297304 1027247293 /nfs/dbraw/zinc/24/72/93/1027247293.db2.gz ZGPUECZIQHVBSX-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN CC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCOC1 ZINC000812297304 1027247311 /nfs/dbraw/zinc/24/73/11/1027247311.db2.gz ZGPUECZIQHVBSX-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000812733920 1027381652 /nfs/dbraw/zinc/38/16/52/1027381652.db2.gz CAWMMWHASXEWLZ-NSHDSACASA-N 0 1 315.804 3.783 20 10 DHCDMN COc1cc(Cl)cc(CNc2cc3c(cn2)CCCC3)c1O ZINC000812782063 1027403849 /nfs/dbraw/zinc/40/38/49/1027403849.db2.gz OLGPUAKFOUMUQU-UHFFFAOYSA-N 0 1 318.804 3.940 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000809757813 1027438680 /nfs/dbraw/zinc/43/86/80/1027438680.db2.gz SUPSEIUQMQWDCP-MRXNPFEDSA-N 0 1 317.408 3.989 20 10 DHCDMN COc1cc(C)cc(CNC2(c3ccccc3F)CC2)c1O ZINC000894282720 1027580217 /nfs/dbraw/zinc/58/02/17/1027580217.db2.gz CSOOJBDZYBDGJA-UHFFFAOYSA-N 0 1 301.361 3.627 20 10 DHCDMN CC(C)c1nc(CSc2ncc(-c3ccccc3)n2C)n[nH]1 ZINC000813568977 1027675201 /nfs/dbraw/zinc/67/52/01/1027675201.db2.gz UCHTULDLOITFPB-UHFFFAOYSA-N 0 1 313.430 3.621 20 10 DHCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000813877042 1027747478 /nfs/dbraw/zinc/74/74/78/1027747478.db2.gz JADIMFPOHLEYCW-UWVGGRQHSA-N 0 1 305.249 3.547 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cncs2)c1[O-] ZINC000934197686 1027925932 /nfs/dbraw/zinc/92/59/32/1027925932.db2.gz FPNOPWVPFOCWMX-QMMMGPOBSA-N 0 1 310.806 3.556 20 10 DHCDMN COc1cc(C)cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000814230448 1027964596 /nfs/dbraw/zinc/96/45/96/1027964596.db2.gz QSDKLKFIYVOWFK-SFHVURJKSA-N 0 1 312.413 3.687 20 10 DHCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000367467429 1028187744 /nfs/dbraw/zinc/18/77/44/1028187744.db2.gz OMARRLBKCNDMFC-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000367467429 1028187750 /nfs/dbraw/zinc/18/77/50/1028187750.db2.gz OMARRLBKCNDMFC-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000367467429 1028187756 /nfs/dbraw/zinc/18/77/56/1028187756.db2.gz OMARRLBKCNDMFC-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040186 1028288446 /nfs/dbraw/zinc/28/84/46/1028288446.db2.gz HZRVSMUOBIMSNO-ZFWWWQNUSA-N 0 1 313.401 3.593 20 10 DHCDMN Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000368315894 1028335239 /nfs/dbraw/zinc/33/52/39/1028335239.db2.gz MXSIQPMSCJDKMM-GDBMZVCRSA-N 0 1 321.424 3.716 20 10 DHCDMN Cc1cc(CN2CCCC[C@H]2c2ccnn2C)ccc1N(C)C ZINC000815106996 1028379621 /nfs/dbraw/zinc/37/96/21/1028379621.db2.gz ISHOELSGHHVOAG-IBGZPJMESA-N 0 1 312.461 3.522 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000815647999 1028593174 /nfs/dbraw/zinc/59/31/74/1028593174.db2.gz BHMQGQGJMCJRMQ-OCCSQVGLSA-N 0 1 311.853 3.885 20 10 DHCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@](CC)(CO)C2)cc1F ZINC000779218228 1028727045 /nfs/dbraw/zinc/72/70/45/1028727045.db2.gz WKHGGZOIWHTJDY-LJQANCHMSA-N 0 1 322.468 3.656 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493371 1028898015 /nfs/dbraw/zinc/89/80/15/1028898015.db2.gz YNUAPHCXDYCGPY-OAHLLOKOSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc2ccccc21 ZINC000816493371 1028898029 /nfs/dbraw/zinc/89/80/29/1028898029.db2.gz YNUAPHCXDYCGPY-OAHLLOKOSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494031 1028898864 /nfs/dbraw/zinc/89/88/64/1028898864.db2.gz WHUNXKXVILYCGX-MRXNPFEDSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494031 1028898876 /nfs/dbraw/zinc/89/88/76/1028898876.db2.gz WHUNXKXVILYCGX-MRXNPFEDSA-N 0 1 307.397 3.648 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508311 1028915478 /nfs/dbraw/zinc/91/54/78/1028915478.db2.gz IRRBPKGPTOMBLH-NSHDSACASA-N 0 1 323.795 3.953 20 10 DHCDMN CCc1cnc(CN(C)Cc2cc(Cl)c(F)cc2O)s1 ZINC000816516912 1028917000 /nfs/dbraw/zinc/91/70/00/1028917000.db2.gz WTIMMYLWFJMVCR-UHFFFAOYSA-N 0 1 314.813 3.836 20 10 DHCDMN COc1ccc(OC)c(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816531118 1028922891 /nfs/dbraw/zinc/92/28/91/1028922891.db2.gz GRIORJMPRQEIGT-UHFFFAOYSA-N 0 1 323.392 3.852 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc2ccccc21 ZINC000816592919 1028939072 /nfs/dbraw/zinc/93/90/72/1028939072.db2.gz YKHDMLOHFKYHAS-GOSISDBHSA-N 0 1 310.441 3.652 20 10 DHCDMN [O-]c1c(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)ccc2ccccc21 ZINC000816592668 1028939917 /nfs/dbraw/zinc/93/99/17/1028939917.db2.gz QOBKEUAFULREPP-GOSISDBHSA-N 0 1 319.404 3.898 20 10 DHCDMN CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552550 1028942551 /nfs/dbraw/zinc/94/25/51/1028942551.db2.gz PLRCJPYKHWURFV-LJQANCHMSA-N 0 1 301.430 3.822 20 10 DHCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816552672 1028942658 /nfs/dbraw/zinc/94/26/58/1028942658.db2.gz SGKUMCFTMXXRQD-SFHVURJKSA-N 0 1 313.422 3.604 20 10 DHCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816560437 1028946196 /nfs/dbraw/zinc/94/61/96/1028946196.db2.gz OYDZUZWKHIPSQV-ROUUACIJSA-N 0 1 313.441 3.774 20 10 DHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816560437 1028946205 /nfs/dbraw/zinc/94/62/05/1028946205.db2.gz OYDZUZWKHIPSQV-ROUUACIJSA-N 0 1 313.441 3.774 20 10 DHCDMN COC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816610284 1028958734 /nfs/dbraw/zinc/95/87/34/1028958734.db2.gz FRLTVBRPTXERGA-UHFFFAOYSA-N 0 1 321.376 3.622 20 10 DHCDMN CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000373144214 1028960526 /nfs/dbraw/zinc/96/05/26/1028960526.db2.gz ZDYNCFMHEGKPGQ-HNNXBMFYSA-N 0 1 317.408 3.688 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2COc3ccccc32)ccc2ccccc21 ZINC000816613615 1028963262 /nfs/dbraw/zinc/96/32/62/1028963262.db2.gz ZZBOXPJXWHEEKG-INIZCTEOSA-N 0 1 305.377 3.811 20 10 DHCDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816662386 1028981095 /nfs/dbraw/zinc/98/10/95/1028981095.db2.gz OEHZVPICVWQTLR-HXUWFJFHSA-N 0 1 313.441 3.776 20 10 DHCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816662386 1028981106 /nfs/dbraw/zinc/98/11/06/1028981106.db2.gz OEHZVPICVWQTLR-HXUWFJFHSA-N 0 1 313.441 3.776 20 10 DHCDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000389798769 1029065919 /nfs/dbraw/zinc/06/59/19/1029065919.db2.gz YSCYTJAJLVCTCD-ZDUSSCGKSA-N 0 1 303.377 3.603 20 10 DHCDMN Cc1cnc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)s1 ZINC000374894053 1029490242 /nfs/dbraw/zinc/49/02/42/1029490242.db2.gz KCYCDQZYCBHUFW-CYBMUJFWSA-N 0 1 306.406 3.676 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@](C)(O)c1ccccc1 ZINC000822517033 1030055509 /nfs/dbraw/zinc/05/55/09/1030055509.db2.gz TVDKMXFBWHUJNJ-KRWDZBQOSA-N 0 1 323.795 3.524 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H](O)C(F)(F)F ZINC000866464734 1030306694 /nfs/dbraw/zinc/30/66/94/1030306694.db2.gz YKIMUBOFQPOMEF-FEUHOPSXSA-N 0 1 313.319 3.508 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866528072 1030345756 /nfs/dbraw/zinc/34/57/56/1030345756.db2.gz BDBVJYRKWYVCBF-QWHCGFSZSA-N 0 1 309.837 3.903 20 10 DHCDMN C[C@H](NCc1nn(C)cc1C(F)F)c1ccc(Cl)cc1O ZINC000866568540 1030382771 /nfs/dbraw/zinc/38/27/71/1030382771.db2.gz XKMWWZQPFXJORQ-QMMMGPOBSA-N 0 1 315.751 3.568 20 10 DHCDMN Fc1cc2c(c(F)c1F)[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000823753610 1030386410 /nfs/dbraw/zinc/38/64/10/1030386410.db2.gz XQRIYQCCXIDARR-CQSZACIVSA-N 0 1 319.326 3.816 20 10 DHCDMN C[C@@H](NCc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866611085 1030400841 /nfs/dbraw/zinc/40/08/41/1030400841.db2.gz PFXYEULXSADABP-GFCCVEGCSA-N 0 1 313.376 3.884 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824609379 1030593721 /nfs/dbraw/zinc/59/37/21/1030593721.db2.gz YOFJJMFGECSNIC-RISCZKNCSA-N 0 1 319.367 3.860 20 10 DHCDMN CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824888544 1030667630 /nfs/dbraw/zinc/66/76/30/1030667630.db2.gz FZEIQLCRRJANHG-CQSZACIVSA-N 0 1 310.869 3.518 20 10 DHCDMN CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824888544 1030667640 /nfs/dbraw/zinc/66/76/40/1030667640.db2.gz FZEIQLCRRJANHG-CQSZACIVSA-N 0 1 310.869 3.518 20 10 DHCDMN CC[C@H]([NH2+]CCC1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825040381 1030708281 /nfs/dbraw/zinc/70/82/81/1030708281.db2.gz JSFIXQGHJCLSMC-ZDUSSCGKSA-N 0 1 317.351 3.614 20 10 DHCDMN COCc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825077607 1030721725 /nfs/dbraw/zinc/72/17/25/1030721725.db2.gz CEWCHFHHNCRISJ-UHFFFAOYSA-N 0 1 305.805 3.790 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133251 1030734078 /nfs/dbraw/zinc/73/40/78/1030734078.db2.gz APJJSSFOZGOSKG-OAHLLOKOSA-N 0 1 316.228 3.702 20 10 DHCDMN Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297330 1030766522 /nfs/dbraw/zinc/76/65/22/1030766522.db2.gz AZXOLZORRQSCKC-JTQLQIEISA-N 0 1 308.809 3.680 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)cc1Cl ZINC000825332192 1030778609 /nfs/dbraw/zinc/77/86/09/1030778609.db2.gz XLQRTLHJQUTYGV-DIFFPNOSSA-N 0 1 323.795 3.705 20 10 DHCDMN Cc1noc(C)c1CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825347972 1030785338 /nfs/dbraw/zinc/78/53/38/1030785338.db2.gz WHVVLYBJNQSMCB-UHFFFAOYSA-N 0 1 308.809 3.681 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)cc1Cl ZINC000825394582 1030798387 /nfs/dbraw/zinc/79/83/87/1030798387.db2.gz CAUAZXDUAWLJLJ-SCLBCKFNSA-N 0 1 319.832 3.956 20 10 DHCDMN C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825500799 1030828602 /nfs/dbraw/zinc/82/86/02/1030828602.db2.gz ICRIZNRUCOSPHY-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825500799 1030828614 /nfs/dbraw/zinc/82/86/14/1030828614.db2.gz ICRIZNRUCOSPHY-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(Cl)cc1[O-] ZINC000927089931 1031081414 /nfs/dbraw/zinc/08/14/14/1031081414.db2.gz JHINOIFBWWHASM-NSHDSACASA-N 0 1 303.789 3.831 20 10 DHCDMN CCc1noc(C)c1CNCc1ccc(N(CC)CC)cc1 ZINC000293013811 1031289553 /nfs/dbraw/zinc/28/95/53/1031289553.db2.gz PXSSDWUYMGGGRP-UHFFFAOYSA-N 0 1 301.434 3.681 20 10 DHCDMN COc1cccc(CN2CCc3c(Cl)cccc3C2)c1O ZINC000123828239 1031351752 /nfs/dbraw/zinc/35/17/52/1031351752.db2.gz PKIMVPKAGXCCHF-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Cc1ccoc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000293288276 1031411679 /nfs/dbraw/zinc/41/16/79/1031411679.db2.gz DEHBEVBGADBREH-SNVBAGLBSA-N 0 1 310.191 3.907 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H]1C ZINC001144299930 1031439194 /nfs/dbraw/zinc/43/91/94/1031439194.db2.gz MSAOKQJMXDQYFT-UWVGGRQHSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306867 1031456663 /nfs/dbraw/zinc/45/66/63/1031456663.db2.gz UYMWXVJTCHNBLY-AOOOYVTPSA-N 0 1 316.214 3.772 20 10 DHCDMN CC[C@@H]1CO[C@@](C)(CCC(C)C)N1Cc1c(O)cc(O)cc1O ZINC001144514854 1031671376 /nfs/dbraw/zinc/67/13/76/1031671376.db2.gz VDDYMVKKLDOSKN-ACJLOTCBSA-N 0 1 323.433 3.567 20 10 DHCDMN CCCOc1ccc(CNCc2ncccc2N(C)C)cc1C ZINC000873126775 1031717343 /nfs/dbraw/zinc/71/73/43/1031717343.db2.gz CMQDEWWUFSKJJR-UHFFFAOYSA-N 0 1 313.445 3.535 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2c(F)cc(C)cc2F)c1 ZINC000845971158 1031788352 /nfs/dbraw/zinc/78/83/52/1031788352.db2.gz HOGDFXGAMYYOPQ-LLVKDONJSA-N 0 1 307.340 3.838 20 10 DHCDMN Cc1cc(Cl)cc(CN[C@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019108 1031808148 /nfs/dbraw/zinc/80/81/48/1031808148.db2.gz XQDKQKPJZPORFS-ZBEGNZNMSA-N 0 1 323.795 3.705 20 10 DHCDMN Cc1ccc(O)c(CN[C@@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846059577 1031817565 /nfs/dbraw/zinc/81/75/65/1031817565.db2.gz YJSVOUVCOAQCAZ-SFHVURJKSA-N 0 1 321.424 3.508 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1[O-] ZINC000846043378 1031839261 /nfs/dbraw/zinc/83/92/61/1031839261.db2.gz YRRJCKWQOFSTSZ-MRXNPFEDSA-N 0 1 309.837 3.649 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000846055165 1031847868 /nfs/dbraw/zinc/84/78/68/1031847868.db2.gz SYLUMJNOLFSGKN-UHFFFAOYSA-N 0 1 301.764 3.975 20 10 DHCDMN CCOCc1cc(CN[C@@H](C)c2cncs2)ccc1OC ZINC000897934345 1031877989 /nfs/dbraw/zinc/87/79/89/1031877989.db2.gz IAZSJDRVKJTIHM-LBPRGKRZSA-N 0 1 306.431 3.539 20 10 DHCDMN COc1cccc([C@@H](C)N[C@@H]2COc3c2cccc3Cl)c1O ZINC000846154818 1031885767 /nfs/dbraw/zinc/88/57/67/1031885767.db2.gz TYPHSODYMQWCDR-QMTHXVAHSA-N 0 1 319.788 3.839 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846143064 1031902941 /nfs/dbraw/zinc/90/29/41/1031902941.db2.gz AIJISMMVESDDLZ-SWLSCSKDSA-N 0 1 319.401 3.595 20 10 DHCDMN Cc1c(NCc2ccc(F)c(F)c2O)cnn1C1CCCC1 ZINC000877479847 1033317509 /nfs/dbraw/zinc/31/75/09/1033317509.db2.gz ZUNFTWYLDLUZBH-UHFFFAOYSA-N 0 1 307.344 3.903 20 10 DHCDMN CC(C)c1nn(C)c(Cl)c1CN[C@H](C)c1ccccc1O ZINC000877756524 1033434743 /nfs/dbraw/zinc/43/47/43/1033434743.db2.gz PDVWUEWHLRTZGJ-LLVKDONJSA-N 0 1 307.825 3.753 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824986 1033475896 /nfs/dbraw/zinc/47/58/96/1033475896.db2.gz WAMJWXRBTODBDI-SKDRFNHKSA-N 0 1 323.742 3.587 20 10 DHCDMN Cc1cccc([C@@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000127002402 1033643163 /nfs/dbraw/zinc/64/31/63/1033643163.db2.gz ICAVNUDLDFZSOS-IBGZPJMESA-N 0 1 313.420 3.932 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000826049739 1033750404 /nfs/dbraw/zinc/75/04/04/1033750404.db2.gz YJJYOJTZWURZMP-USXIJHARSA-N 0 1 323.864 3.870 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000826049739 1033750418 /nfs/dbraw/zinc/75/04/18/1033750418.db2.gz YJJYOJTZWURZMP-USXIJHARSA-N 0 1 323.864 3.870 20 10 DHCDMN Cc1cccnc1CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826062220 1033806788 /nfs/dbraw/zinc/80/67/88/1033806788.db2.gz NKIUBAFFCOQUCH-UHFFFAOYSA-N 0 1 304.821 3.780 20 10 DHCDMN CCOc1cccc(CN[C@@](C)(CC)c2nc(C)cs2)c1O ZINC000174504613 1033937662 /nfs/dbraw/zinc/93/76/62/1033937662.db2.gz IKVJOOVTNAMGOX-KRWDZBQOSA-N 0 1 320.458 3.971 20 10 DHCDMN C[C@@H](NCc1ccn(CCc2ccccc2)n1)c1ccccc1O ZINC000879649619 1034069743 /nfs/dbraw/zinc/06/97/43/1034069743.db2.gz ZCESBQYXPOMWPM-MRXNPFEDSA-N 0 1 321.424 3.682 20 10 DHCDMN C[C@@H](NCc1noc2c1CC(C)(C)CC2)c1ccccc1O ZINC000879650238 1034074049 /nfs/dbraw/zinc/07/40/49/1034074049.db2.gz QXTJGLXHNRBXKF-GFCCVEGCSA-N 0 1 300.402 3.746 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120466 1034119193 /nfs/dbraw/zinc/11/91/93/1034119193.db2.gz DQFDUNOOXGACKG-NVXWUHKLSA-N 0 1 317.816 3.662 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120466 1034119202 /nfs/dbraw/zinc/11/92/02/1034119202.db2.gz DQFDUNOOXGACKG-NVXWUHKLSA-N 0 1 317.816 3.662 20 10 DHCDMN CN(Cc1c(C2CC2)nc2sccn12)Cc1ccccc1O ZINC000179770374 1034334062 /nfs/dbraw/zinc/33/40/62/1034334062.db2.gz FOLYTQAURAUUOO-UHFFFAOYSA-N 0 1 313.426 3.611 20 10 DHCDMN C[C@H](NCc1nccn1CCc1ccccc1)c1ccccc1O ZINC000183547021 1034400044 /nfs/dbraw/zinc/40/00/44/1034400044.db2.gz PLCDGQPMRRARSK-INIZCTEOSA-N 0 1 321.424 3.682 20 10 DHCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000183712400 1034414076 /nfs/dbraw/zinc/41/40/76/1034414076.db2.gz VWIGKWBHFZZDGE-SNVBAGLBSA-N 0 1 321.764 3.542 20 10 DHCDMN CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000015250370 1034419903 /nfs/dbraw/zinc/41/99/03/1034419903.db2.gz DNGBILDOYIYAKU-CQSZACIVSA-N 0 1 323.179 3.895 20 10 DHCDMN CCOCCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185071598 1034523948 /nfs/dbraw/zinc/52/39/48/1034523948.db2.gz CHQQKFPIKHHXJW-NSHDSACASA-N 0 1 316.239 3.622 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000185095471 1034527352 /nfs/dbraw/zinc/52/73/52/1034527352.db2.gz ZRUWTOGNLVFWGA-HWPZZCPQSA-N 0 1 309.768 3.569 20 10 DHCDMN COCCCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185233318 1034536132 /nfs/dbraw/zinc/53/61/32/1034536132.db2.gz QLTYAKFRLDXBBB-NSHDSACASA-N 0 1 316.239 3.622 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211406757 1034546093 /nfs/dbraw/zinc/54/60/93/1034546093.db2.gz MNVOLRLYCCQEOP-FZMZJTMJSA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185525195 1034554565 /nfs/dbraw/zinc/55/45/65/1034554565.db2.gz MECKTVWSYSCLFS-HIFRSBDPSA-N 0 1 319.832 3.862 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2cc(C)ccc2O)o1 ZINC000185547953 1034557824 /nfs/dbraw/zinc/55/78/24/1034557824.db2.gz LJHYWBPNTZDNML-XJKSGUPXSA-N 0 1 303.402 3.894 20 10 DHCDMN COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187836839 1034736832 /nfs/dbraw/zinc/73/68/32/1034736832.db2.gz RWPPADTVLTWRQQ-VIFPVBQESA-N 0 1 309.312 3.861 20 10 DHCDMN CN(C)c1ccc(/C=C/CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001178998300 1035460507 /nfs/dbraw/zinc/46/05/07/1035460507.db2.gz IVLVYJDZVVJSDE-HEVSSNLLSA-N 0 1 310.416 3.993 20 10 DHCDMN Cc1[nH]nc2cc(NC(=O)C=Cc3ccc(N(C)C)cc3)ccc12 ZINC001180128299 1035604844 /nfs/dbraw/zinc/60/48/44/1035604844.db2.gz IMMNLVNOTJYXJU-IZZDOVSWSA-N 0 1 320.396 3.589 20 10 DHCDMN C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc21 ZINC001193626635 1035680814 /nfs/dbraw/zinc/68/08/14/1035680814.db2.gz YJTCDUMXNNRLJW-YMTOWFKASA-N 0 1 317.772 3.730 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC001182139513 1036106239 /nfs/dbraw/zinc/10/62/39/1036106239.db2.gz KWTFDJHNMNYLEQ-MRXNPFEDSA-N 0 1 311.853 3.631 20 10 DHCDMN CC[N@@H+](Cc1cccc(C)c1O)Cc1ccc(OC)cc1OC ZINC000775654311 1036243804 /nfs/dbraw/zinc/24/38/04/1036243804.db2.gz XXIZHJUAAQSCNP-UHFFFAOYSA-N 0 1 315.413 3.740 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775692529 1036470722 /nfs/dbraw/zinc/47/07/22/1036470722.db2.gz LFWUVSYCAVVQCP-LLVKDONJSA-N 0 1 323.795 3.953 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000775716940 1036535872 /nfs/dbraw/zinc/53/58/72/1036535872.db2.gz JAGFBFMNIGTTIE-INIZCTEOSA-N 0 1 313.800 3.577 20 10 DHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000775717558 1036540825 /nfs/dbraw/zinc/54/08/25/1036540825.db2.gz OGEFULIVMUVDCA-QGZVFWFLSA-N 0 1 319.832 3.910 20 10 DHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203573766 1036640883 /nfs/dbraw/zinc/64/08/83/1036640883.db2.gz GYSUOYBJCYBXQH-ZUZCIYMTSA-N 0 1 318.244 3.682 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762614039 1036873383 /nfs/dbraw/zinc/87/33/83/1036873383.db2.gz MFPADIDKLACWKT-KWCYVHTRSA-N 0 1 315.891 3.515 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000238070164 1037037176 /nfs/dbraw/zinc/03/71/76/1037037176.db2.gz XPHKGLYGQNFBJB-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774886886 1037168038 /nfs/dbraw/zinc/16/80/38/1037168038.db2.gz XZHYYLVVNCKWEG-CYBMUJFWSA-N 0 1 322.405 3.567 20 10 DHCDMN CCC[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774906289 1037198998 /nfs/dbraw/zinc/19/89/98/1037198998.db2.gz WZRHRWGDWKSFIB-KRWDZBQOSA-N 0 1 322.405 3.711 20 10 DHCDMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911341 1037206732 /nfs/dbraw/zinc/20/67/32/1037206732.db2.gz YYSFZFKMVLZCNE-OCCSQVGLSA-N 0 1 322.405 3.710 20 10 DHCDMN CCOc1ccc(CN2CCC[C@@H]2c2csc(C)n2)c(O)c1 ZINC000775992872 1037292447 /nfs/dbraw/zinc/29/24/47/1037292447.db2.gz ZRMFDCJUSNFXNI-MRXNPFEDSA-N 0 1 318.442 3.893 20 10 DHCDMN CN1CCC([N@@H+](Cc2cc(Cl)ccc2[O-])C2CCCC2)CC1 ZINC001203665603 1037684744 /nfs/dbraw/zinc/68/47/44/1037684744.db2.gz PBELYSLIAMEVOU-UHFFFAOYSA-N 0 1 322.880 3.884 20 10 DHCDMN COc1ccc2c(c1)[C@H]([NH2+]Cc1c([O-])cccc1Cl)CCO2 ZINC001201919269 1037938571 /nfs/dbraw/zinc/93/85/71/1037938571.db2.gz CEYTYOMTFUNTDX-OAHLLOKOSA-N 0 1 319.788 3.668 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000776259081 1038100167 /nfs/dbraw/zinc/10/01/67/1038100167.db2.gz ZXKPKEAGPUCGLP-ZDUSSCGKSA-N 0 1 311.853 3.632 20 10 DHCDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363170 1038275165 /nfs/dbraw/zinc/27/51/65/1038275165.db2.gz KZIJOAZNKCGTFG-LLVKDONJSA-N 0 1 305.403 3.573 20 10 DHCDMN CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC001190905188 1038406895 /nfs/dbraw/zinc/40/68/95/1038406895.db2.gz WUJHRZHQNDEIAE-QGZVFWFLSA-N 0 1 319.445 3.678 20 10 DHCDMN CC1(C)OC[C@@H](CC[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC001190905188 1038406901 /nfs/dbraw/zinc/40/69/01/1038406901.db2.gz WUJHRZHQNDEIAE-QGZVFWFLSA-N 0 1 319.445 3.678 20 10 DHCDMN CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC001190905188 1038406907 /nfs/dbraw/zinc/40/69/07/1038406907.db2.gz WUJHRZHQNDEIAE-QGZVFWFLSA-N 0 1 319.445 3.678 20 10 DHCDMN CCc1cc(CN(C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000057086378 1038558282 /nfs/dbraw/zinc/55/82/82/1038558282.db2.gz PKRNKAAEVMEEDJ-UHFFFAOYSA-N 0 1 315.461 3.618 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1[O-] ZINC000775491153 1038560519 /nfs/dbraw/zinc/56/05/19/1038560519.db2.gz YXVUYWHPGGXMOK-MRXNPFEDSA-N 0 1 305.805 3.779 20 10 DHCDMN CC[C@@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775491259 1038560846 /nfs/dbraw/zinc/56/08/46/1038560846.db2.gz GWRMTPDNTXOLSA-OAHLLOKOSA-N 0 1 307.825 3.763 20 10 DHCDMN CC[C@H]([NH2+]Cc1cccnc1OC)c1cc(Cl)ccc1[O-] ZINC000775491175 1038562650 /nfs/dbraw/zinc/56/26/50/1038562650.db2.gz BJSKARFYOGKKQI-AWEZNQCLSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775496199 1038573861 /nfs/dbraw/zinc/57/38/61/1038573861.db2.gz GOVFUTLHVIGEDD-XHDPSFHLSA-N 0 1 305.809 3.508 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775508562 1038592471 /nfs/dbraw/zinc/59/24/71/1038592471.db2.gz CGPAIJBLJHDQNJ-ZFWWWQNUSA-N 0 1 309.793 3.721 20 10 DHCDMN CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775506770 1038598722 /nfs/dbraw/zinc/59/87/22/1038598722.db2.gz DFXJWVWTYSFIRQ-AEFFLSMTSA-N 0 1 319.832 3.994 20 10 DHCDMN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775531701 1038666817 /nfs/dbraw/zinc/66/68/17/1038666817.db2.gz MPNBXFKNBFSQBX-GDBMZVCRSA-N 0 1 311.853 3.883 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000760896116 1039038696 /nfs/dbraw/zinc/03/86/96/1039038696.db2.gz DMNAYJJNHJSTTE-OAHLLOKOSA-N 0 1 322.456 3.880 20 10 DHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000230300057 1039770037 /nfs/dbraw/zinc/77/00/37/1039770037.db2.gz OVSYDXQJFYLABN-AWEZNQCLSA-N 0 1 304.217 3.700 20 10 DHCDMN Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1C ZINC000761185986 1040525639 /nfs/dbraw/zinc/52/56/39/1040525639.db2.gz BPYFVEFVGOBRFC-UHFFFAOYSA-N 0 1 307.397 3.683 20 10 DHCDMN CCOc1cccc(CNC2(c3ccccc3F)CC2)c1O ZINC000076766935 185039578 /nfs/dbraw/zinc/03/95/78/185039578.db2.gz JOBLJOPYNWZXEC-UHFFFAOYSA-N 0 1 301.361 3.709 20 10 DHCDMN COc1cccc(CN(C)Cc2ccccc2O)c1OC(F)F ZINC000091974426 193135402 /nfs/dbraw/zinc/13/54/02/193135402.db2.gz XGXHCIWOILISKG-UHFFFAOYSA-N 0 1 323.339 3.634 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000022169315 182311819 /nfs/dbraw/zinc/31/18/19/182311819.db2.gz XBDUNJDNEQZDGP-CYBMUJFWSA-N 0 1 310.191 3.989 20 10 DHCDMN CC[C@@H](N[C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864196 130069842 /nfs/dbraw/zinc/06/98/42/130069842.db2.gz NKPJJLPQIUBTFD-DZGCQCFKSA-N 0 1 314.433 3.512 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000273511696 130130111 /nfs/dbraw/zinc/13/01/11/130130111.db2.gz RVNQIPWLFGDRHH-GFCCVEGCSA-N 0 1 304.821 3.962 20 10 DHCDMN Cc1nnc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287690 130224054 /nfs/dbraw/zinc/22/40/54/130224054.db2.gz ZSUKYJNJRFNVGD-GHMZBOCLSA-N 0 1 317.458 3.843 20 10 DHCDMN COC[C@H](N[C@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630172 333210769 /nfs/dbraw/zinc/21/07/69/333210769.db2.gz DOFMKLNRCAKQAI-RISCZKNCSA-N 0 1 309.793 3.985 20 10 DHCDMN COc1cc(Cl)cc(CNC(C)(C)c2nccs2)c1O ZINC000184708098 333365839 /nfs/dbraw/zinc/36/58/39/333365839.db2.gz WQTGLADWZDREGU-UHFFFAOYSA-N 0 1 312.822 3.536 20 10 DHCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cn1 ZINC000276424314 334077968 /nfs/dbraw/zinc/07/79/68/334077968.db2.gz XRUUBPOANWQPQA-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)cn1 ZINC000276424314 334077969 /nfs/dbraw/zinc/07/79/69/334077969.db2.gz XRUUBPOANWQPQA-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000289802834 334168092 /nfs/dbraw/zinc/16/80/92/334168092.db2.gz OBJVPGBMXVRDOW-AWEZNQCLSA-N 0 1 321.424 3.857 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000367656652 336827449 /nfs/dbraw/zinc/82/74/49/336827449.db2.gz DYCBUXVCGIZSMH-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235398 336840964 /nfs/dbraw/zinc/84/09/64/336840964.db2.gz OSXKGUOMJPTOMD-WFASDCNBSA-N 0 1 301.361 3.932 20 10 DHCDMN C[C@H](N[C@@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563427 337036898 /nfs/dbraw/zinc/03/68/98/337036898.db2.gz TXIHYYSBJCCKDL-GJZGRUSLSA-N 0 1 307.397 3.990 20 10 DHCDMN Cc1ccc(O)c(CN[C@H](C)c2nccn2-c2ccccc2)c1 ZINC000377406537 337052071 /nfs/dbraw/zinc/05/20/71/337052071.db2.gz AVIDGPNZANHNHP-OAHLLOKOSA-N 0 1 307.397 3.737 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377836049 337062121 /nfs/dbraw/zinc/06/21/21/337062121.db2.gz YMHQJHJISJEGDS-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN Oc1ccccc1CNCc1nc(-c2ccccc2F)cs1 ZINC000378132887 337066998 /nfs/dbraw/zinc/06/69/98/337066998.db2.gz YBTRDVDNJYYBRI-UHFFFAOYSA-N 0 1 314.385 3.945 20 10 DHCDMN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000248486368 337565585 /nfs/dbraw/zinc/56/55/85/337565585.db2.gz FPOQNONDJVNYHX-CJMONDIMSA-N 0 1 319.404 3.854 20 10 DHCDMN CCOc1ccc(O)c(CNCc2c(Cl)cccc2OC)c1 ZINC000191634033 521150895 /nfs/dbraw/zinc/15/08/95/521150895.db2.gz DTJAZOPUJNTKMZ-UHFFFAOYSA-N 0 1 321.804 3.743 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000182413683 524766749 /nfs/dbraw/zinc/76/67/49/524766749.db2.gz NCOMESDWYUPSHN-SNVBAGLBSA-N 0 1 304.415 3.586 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091810 525935099 /nfs/dbraw/zinc/93/50/99/525935099.db2.gz PSIOSHHKCDUGGU-HOTGVXAUSA-N 0 1 314.429 3.836 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nc(C2CC2)no1 ZINC000181859845 526326109 /nfs/dbraw/zinc/32/61/09/526326109.db2.gz FYESBVQSLDZHNM-UHFFFAOYSA-N 0 1 300.145 3.572 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365664663 526346054 /nfs/dbraw/zinc/34/60/54/526346054.db2.gz WJJFBCCQXBZUJX-JKSUJKDBSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365664663 526346060 /nfs/dbraw/zinc/34/60/60/526346060.db2.gz WJJFBCCQXBZUJX-JKSUJKDBSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365664662 526346336 /nfs/dbraw/zinc/34/63/36/526346336.db2.gz WJJFBCCQXBZUJX-HZPDHXFCSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365664662 526346339 /nfs/dbraw/zinc/34/63/39/526346339.db2.gz WJJFBCCQXBZUJX-HZPDHXFCSA-N 0 1 307.821 3.579 20 10 DHCDMN CO[C@H](C)c1nc(CN[C@@H](C)c2cc(C)ccc2O)cs1 ZINC000273584263 536513426 /nfs/dbraw/zinc/51/34/26/536513426.db2.gz NIFMTIVLYPFZHE-NWDGAFQWSA-N 0 1 306.431 3.715 20 10 DHCDMN COc1cccc(Cl)c1CNCc1cc(C)cc(OC)c1O ZINC000894542943 1013412407 /nfs/dbraw/zinc/41/24/07/1013412407.db2.gz MQLUYMHYLVISNZ-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275945456 1014328855 /nfs/dbraw/zinc/32/88/55/1014328855.db2.gz IRQNJGPDBNXZLW-WGSAOQKQSA-N 0 1 311.425 3.795 20 10 DHCDMN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275945456 1014328864 /nfs/dbraw/zinc/32/88/64/1014328864.db2.gz IRQNJGPDBNXZLW-WGSAOQKQSA-N 0 1 311.425 3.795 20 10 DHCDMN COc1cccc2c1CN(Cc1cc(Cl)c(F)cc1O)C2 ZINC001207144041 1014481124 /nfs/dbraw/zinc/48/11/24/1014481124.db2.gz ZHASMQQMRWVTFX-UHFFFAOYSA-N 0 1 307.752 3.709 20 10 DHCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000696618437 1014519930 /nfs/dbraw/zinc/51/99/30/1014519930.db2.gz IVMQCHGEQISGJW-LLVKDONJSA-N 0 1 318.244 3.948 20 10 DHCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc(C)c1O ZINC001595362572 980771959 /nfs/dbraw/zinc/77/19/59/980771959.db2.gz KEFSRRREZYEEJC-KRWDZBQOSA-N 0 1 313.397 3.739 20 10 DHCDMN CC[N@@H+](CCC1CC1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596320983 983753047 /nfs/dbraw/zinc/75/30/47/983753047.db2.gz YFFLJARBOAWCMT-UHFFFAOYSA-N 0 1 318.392 3.638 20 10 DHCDMN Cc1cc(CNCc2ocnc2C)c(C)n1-c1cccc(C)c1 ZINC000895404940 1015135253 /nfs/dbraw/zinc/13/52/53/1015135253.db2.gz IAKRUHHUSREQGN-UHFFFAOYSA-N 0 1 309.413 3.989 20 10 DHCDMN CC[C@@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738081765 1015159116 /nfs/dbraw/zinc/15/91/16/1015159116.db2.gz ODWDICSDGCSKOW-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN CC[C@@H]1COCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738081765 1015159131 /nfs/dbraw/zinc/15/91/31/1015159131.db2.gz ODWDICSDGCSKOW-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN CN(C)c1cc(F)c(CN2CCC3(CCCCO3)CC2)cc1F ZINC000895655009 1015241891 /nfs/dbraw/zinc/24/18/91/1015241891.db2.gz AVGOCUWSNRTEQB-UHFFFAOYSA-N 0 1 324.415 3.566 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000185513393 1016954316 /nfs/dbraw/zinc/95/43/16/1016954316.db2.gz XLMIRFSSAQPEFM-YVEFUNNKSA-N 0 1 313.422 3.991 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC001171330430 1032391084 /nfs/dbraw/zinc/39/10/84/1032391084.db2.gz BZPVPQGPRJCLSE-CQSZACIVSA-N 0 1 305.393 3.746 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC001171330430 1032391092 /nfs/dbraw/zinc/39/10/92/1032391092.db2.gz BZPVPQGPRJCLSE-CQSZACIVSA-N 0 1 305.393 3.746 20 10 DHCDMN C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc2ccccc2c1O ZINC000282778932 1032488005 /nfs/dbraw/zinc/48/80/05/1032488005.db2.gz PKUMTEVZJYHKFS-CYBMUJFWSA-N 0 1 324.428 3.743 20 10 DHCDMN CC1CCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000857854073 1032690523 /nfs/dbraw/zinc/69/05/23/1032690523.db2.gz IPCREHNVGWLDIJ-IBGZPJMESA-N 0 1 324.472 3.813 20 10 DHCDMN C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708135169 1017668658 /nfs/dbraw/zinc/66/86/58/1017668658.db2.gz WVWALLJLIMMGQQ-QMMMGPOBSA-N 0 1 304.615 3.792 20 10 DHCDMN CCCOc1ccc(CN(C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000125750078 1032718100 /nfs/dbraw/zinc/71/81/00/1032718100.db2.gz TXUOSRXFBBHYIY-UHFFFAOYSA-N 0 1 320.820 3.861 20 10 DHCDMN CN(C)c1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021995163 1018047073 /nfs/dbraw/zinc/04/70/73/1018047073.db2.gz UUQLSMQERQMLRK-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021995163 1018047084 /nfs/dbraw/zinc/04/70/84/1018047084.db2.gz UUQLSMQERQMLRK-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000178885872 1018481189 /nfs/dbraw/zinc/48/11/89/1018481189.db2.gz ZTTOQWJNDMBUOF-SFHVURJKSA-N 0 1 315.388 3.722 20 10 DHCDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837673 1018659590 /nfs/dbraw/zinc/65/95/90/1018659590.db2.gz QNBHXQSPLZRVMP-INIZCTEOSA-N 0 1 301.361 3.877 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC1(F)CCC1 ZINC000706812852 1018763581 /nfs/dbraw/zinc/76/35/81/1018763581.db2.gz DGDHBQGERJQIMH-UHFFFAOYSA-N 0 1 302.187 3.527 20 10 DHCDMN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[C@@H]1SC ZINC000842922718 1018919050 /nfs/dbraw/zinc/91/90/50/1018919050.db2.gz CJTJGFGEMRUMGT-FFFUXKDYSA-N 0 1 315.866 3.605 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000825768616 1032798208 /nfs/dbraw/zinc/79/82/08/1032798208.db2.gz SMOPBSZSDQOOSD-ZDUSSCGKSA-N 0 1 302.805 3.739 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000825768616 1032798221 /nfs/dbraw/zinc/79/82/21/1032798221.db2.gz SMOPBSZSDQOOSD-ZDUSSCGKSA-N 0 1 302.805 3.739 20 10 DHCDMN Cc1c[nH]nc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858294205 1032832522 /nfs/dbraw/zinc/83/25/22/1032832522.db2.gz VPLGJFYFNFWTQT-UHFFFAOYSA-N 0 1 308.429 3.724 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1F ZINC000363532259 1019737629 /nfs/dbraw/zinc/73/76/29/1019737629.db2.gz HWRQAANJYVCRAO-MRXNPFEDSA-N 0 1 316.424 3.562 20 10 DHCDMN Oc1ccccc1CN(Cc1nc(C2CC2)no1)C1CCCC1 ZINC000731848115 1020157792 /nfs/dbraw/zinc/15/77/92/1020157792.db2.gz SMVUFYBRNRUMGJ-UHFFFAOYSA-N 0 1 313.401 3.597 20 10 DHCDMN Cn1cc(CCC[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000732204706 1020211642 /nfs/dbraw/zinc/21/16/42/1020211642.db2.gz BDSSINYJQKDITM-UHFFFAOYSA-N 0 1 313.445 3.503 20 10 DHCDMN Cn1cc(CCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000732204706 1020211649 /nfs/dbraw/zinc/21/16/49/1020211649.db2.gz BDSSINYJQKDITM-UHFFFAOYSA-N 0 1 313.445 3.503 20 10 DHCDMN C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000733325876 1020372316 /nfs/dbraw/zinc/37/23/16/1020372316.db2.gz VNJLXWLVTFPRFK-ZDUSSCGKSA-N 0 1 316.832 3.586 20 10 DHCDMN C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000733325875 1020372782 /nfs/dbraw/zinc/37/27/82/1020372782.db2.gz VNJLXWLVTFPRFK-CYBMUJFWSA-N 0 1 316.832 3.586 20 10 DHCDMN c1c(CNCc2ccc3c(c2)CCCO3)onc1-c1ccccc1 ZINC000921680293 1020405870 /nfs/dbraw/zinc/40/58/70/1020405870.db2.gz GRTXRDJVWACFGM-UHFFFAOYSA-N 0 1 320.392 3.956 20 10 DHCDMN C[C@@H](O)C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000153250664 1020626347 /nfs/dbraw/zinc/62/63/47/1020626347.db2.gz LQUBFAQJEVFGFU-UKRRQHHQSA-N 0 1 319.832 3.690 20 10 DHCDMN C[C@@H]1CSCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738276413 1020867246 /nfs/dbraw/zinc/86/72/46/1020867246.db2.gz HZNPGGFSJSAHSP-GFCCVEGCSA-N 0 1 317.454 3.955 20 10 DHCDMN C[C@@H]1CSCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738276413 1020867254 /nfs/dbraw/zinc/86/72/54/1020867254.db2.gz HZNPGGFSJSAHSP-GFCCVEGCSA-N 0 1 317.454 3.955 20 10 DHCDMN COC[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739871979 1020918936 /nfs/dbraw/zinc/91/89/36/1020918936.db2.gz XFPQUWGCVZPTRV-ZDUSSCGKSA-N 0 1 311.381 3.760 20 10 DHCDMN COC[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739871979 1020918941 /nfs/dbraw/zinc/91/89/41/1020918941.db2.gz XFPQUWGCVZPTRV-ZDUSSCGKSA-N 0 1 311.381 3.760 20 10 DHCDMN COc1ccccc1O[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000742382653 1021109501 /nfs/dbraw/zinc/10/95/01/1021109501.db2.gz HPQHTZPKYQLYNO-GFCCVEGCSA-N 0 1 321.804 3.611 20 10 DHCDMN Cc1ncc(CNCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000742734046 1021155572 /nfs/dbraw/zinc/15/55/72/1021155572.db2.gz AUGSLYGSNAQTIJ-UHFFFAOYSA-N 0 1 324.472 3.844 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c(Cl)c1 ZINC001202281895 1021200078 /nfs/dbraw/zinc/20/00/78/1021200078.db2.gz WRDZCJGMTAXWLN-INIZCTEOSA-N 0 1 310.869 3.564 20 10 DHCDMN COc1cc(CNCc2ncccc2F)c(O)c(C(C)(C)C)c1 ZINC000850221118 1021445196 /nfs/dbraw/zinc/44/51/96/1021445196.db2.gz BFASTGDKCZBXCI-UHFFFAOYSA-N 0 1 318.392 3.522 20 10 DHCDMN CC(C)[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850394899 1021506945 /nfs/dbraw/zinc/50/69/45/1021506945.db2.gz HSBWWIWVEGKJLZ-MSOLQXFVSA-N 0 1 319.832 3.893 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCC2SCCS2)c(Cl)c1 ZINC000850408092 1021515968 /nfs/dbraw/zinc/51/59/68/1021515968.db2.gz YBHBKKFPDSTQBP-UHFFFAOYSA-N 0 1 303.880 3.640 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695121199 1021524837 /nfs/dbraw/zinc/52/48/37/1021524837.db2.gz XLGVVVGSVARKNM-NSHDSACASA-N 0 1 320.177 3.822 20 10 DHCDMN COc1cccc(OC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850505730 1021565809 /nfs/dbraw/zinc/56/58/09/1021565809.db2.gz WSIPGPRIWNTUER-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN COc1cccc(OC)c1CN[C@H](C)c1cc(Cl)ccc1O ZINC000850505730 1021565817 /nfs/dbraw/zinc/56/58/17/1021565817.db2.gz WSIPGPRIWNTUER-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN CC[C@@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850561332 1021605453 /nfs/dbraw/zinc/60/54/53/1021605453.db2.gz NTGXDOXJICJPCF-LLVKDONJSA-N 0 1 303.880 3.892 20 10 DHCDMN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000850567064 1021610888 /nfs/dbraw/zinc/61/08/88/1021610888.db2.gz WFZCNMRAKJMRSS-JTQLQIEISA-N 0 1 319.779 3.637 20 10 DHCDMN CCC[N@@H+](Cc1ccc(C(=O)OC)cc1)Cc1ccccc1O ZINC000110076253 1021945138 /nfs/dbraw/zinc/94/51/38/1021945138.db2.gz LZVSFGKWDFPABC-UHFFFAOYSA-N 0 1 313.397 3.591 20 10 DHCDMN Oc1ccccc1CN(Cc1ccccc1F)C[C@H]1CCCO1 ZINC000070976070 1021995334 /nfs/dbraw/zinc/99/53/34/1021995334.db2.gz OPBLRBKIZABCHM-QGZVFWFLSA-N 0 1 315.388 3.713 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cnc(C3CC3)s2)cc1 ZINC000155193960 1022059523 /nfs/dbraw/zinc/05/95/23/1022059523.db2.gz UJOKAHRAKQIYSM-UHFFFAOYSA-N 0 1 301.459 3.719 20 10 DHCDMN C[C@]12COC[C@@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565736 1022294815 /nfs/dbraw/zinc/29/48/15/1022294815.db2.gz JKCUOXVKCTUULR-XOBRGWDASA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565736 1022294820 /nfs/dbraw/zinc/29/48/20/1022294820.db2.gz JKCUOXVKCTUULR-XOBRGWDASA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@@H](NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000068478642 1022650737 /nfs/dbraw/zinc/65/07/37/1022650737.db2.gz PUKNCUAIDLHLEL-OAHLLOKOSA-N 0 1 314.404 3.513 20 10 DHCDMN CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000767414033 1022704595 /nfs/dbraw/zinc/70/45/95/1022704595.db2.gz FCAXZNQTAMTHPL-UHFFFAOYSA-N 0 1 320.820 3.908 20 10 DHCDMN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)cc1[O-] ZINC000857081686 1022947068 /nfs/dbraw/zinc/94/70/68/1022947068.db2.gz QDHKPYVNNOCNQM-BDAKNGLRSA-N 0 1 320.177 3.851 20 10 DHCDMN COc1cccc(Cl)c1CN[C@@H]1CCc2cccc(O)c21 ZINC000296333794 1023008471 /nfs/dbraw/zinc/00/84/71/1023008471.db2.gz GNBUSPWSCRUPGZ-CQSZACIVSA-N 0 1 303.789 3.831 20 10 DHCDMN CC[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768772335 1023024387 /nfs/dbraw/zinc/02/43/87/1023024387.db2.gz ZHCDHUFNHFDCJQ-SNVBAGLBSA-N 0 1 316.239 3.641 20 10 DHCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768772335 1023024401 /nfs/dbraw/zinc/02/44/01/1023024401.db2.gz ZHCDHUFNHFDCJQ-SNVBAGLBSA-N 0 1 316.239 3.641 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000769102997 1023090852 /nfs/dbraw/zinc/09/08/52/1023090852.db2.gz RNSFRKPJWHFSKN-UZLBHIALSA-N 0 1 310.441 3.715 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000769481965 1023152106 /nfs/dbraw/zinc/15/21/06/1023152106.db2.gz DHSACEVCRIOZME-GOSISDBHSA-N 0 1 319.832 3.910 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000769481965 1023152110 /nfs/dbraw/zinc/15/21/10/1023152110.db2.gz DHSACEVCRIOZME-GOSISDBHSA-N 0 1 319.832 3.910 20 10 DHCDMN CCOc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(O)c1 ZINC000769491838 1023164659 /nfs/dbraw/zinc/16/46/59/1023164659.db2.gz FRWVSYKDKWGPGA-GOSISDBHSA-N 0 1 319.445 3.715 20 10 DHCDMN C[C@@H](NCc1cc(O)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000859257490 1033114779 /nfs/dbraw/zinc/11/47/79/1033114779.db2.gz BZQMTRXOXWOMND-GFCCVEGCSA-N 0 1 304.821 3.962 20 10 DHCDMN Cn1ncc(NCc2cc(Cl)cc(Cl)c2O)c1C1CC1 ZINC000769924194 1023249278 /nfs/dbraw/zinc/24/92/78/1023249278.db2.gz MFPMPYZSDKIURO-UHFFFAOYSA-N 0 1 312.200 3.922 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286387 1023290625 /nfs/dbraw/zinc/29/06/25/1023290625.db2.gz NZFLBHKLSJEQCV-HZMBPMFUSA-N 0 1 316.228 3.700 20 10 DHCDMN [O-]c1c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)ccc(F)c1F ZINC000876684983 1033123464 /nfs/dbraw/zinc/12/34/64/1033123464.db2.gz VTIAKJABRARWKT-MRXNPFEDSA-N 0 1 319.351 3.634 20 10 DHCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000785990030 1023649208 /nfs/dbraw/zinc/64/92/08/1023649208.db2.gz YBSBMAYPWJNAMC-ISTVAULSSA-N 0 1 318.244 3.680 20 10 DHCDMN CSCC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093558525 1023773684 /nfs/dbraw/zinc/77/36/84/1023773684.db2.gz QBXPNAXBVSKBRY-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093558525 1023773690 /nfs/dbraw/zinc/77/36/90/1023773690.db2.gz QBXPNAXBVSKBRY-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc2ccccc2c1[O-] ZINC000185373226 1024029392 /nfs/dbraw/zinc/02/93/92/1024029392.db2.gz FXKXXDDTAMEZKD-AWEZNQCLSA-N 0 1 307.393 3.889 20 10 DHCDMN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000131021908 1024247251 /nfs/dbraw/zinc/24/72/51/1024247251.db2.gz KZRUBLAAGLUGAG-JTQLQIEISA-N 0 1 310.191 3.941 20 10 DHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000131021908 1024247268 /nfs/dbraw/zinc/24/72/68/1024247268.db2.gz KZRUBLAAGLUGAG-JTQLQIEISA-N 0 1 310.191 3.941 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000883276040 1024346958 /nfs/dbraw/zinc/34/69/58/1024346958.db2.gz FHXCZLDOIAMAPI-CJNGLKHVSA-N 0 1 323.820 3.531 20 10 DHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436490 1024506306 /nfs/dbraw/zinc/50/63/06/1024506306.db2.gz DURNDSGGROLMPJ-KBPBESRZSA-N 0 1 316.424 3.951 20 10 DHCDMN Oc1ccc(Cl)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000317350157 1024529474 /nfs/dbraw/zinc/52/94/74/1024529474.db2.gz HIPNGRSHIHRJBZ-UHFFFAOYSA-N 0 1 320.795 3.507 20 10 DHCDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271552623 1024539593 /nfs/dbraw/zinc/53/95/93/1024539593.db2.gz WDDHSWADTILOHH-ZDUSSCGKSA-N 0 1 316.424 3.698 20 10 DHCDMN C[N@@H+](CCOCc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC000792170116 1024640720 /nfs/dbraw/zinc/64/07/20/1024640720.db2.gz PJMPUMFSEIIJNF-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC000792167587 1024640778 /nfs/dbraw/zinc/64/07/78/1024640778.db2.gz WMGKGZQTHDCTGX-UHFFFAOYSA-N 0 1 308.784 3.990 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792167408 1024641379 /nfs/dbraw/zinc/64/13/79/1024641379.db2.gz HZTRLUGSJSYCDO-NSHDSACASA-N 0 1 323.795 3.953 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689884961 1024696410 /nfs/dbraw/zinc/69/64/10/1024696410.db2.gz YEXPAWWJPFGTBO-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689884961 1024696416 /nfs/dbraw/zinc/69/64/16/1024696416.db2.gz YEXPAWWJPFGTBO-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000113331703 1024797477 /nfs/dbraw/zinc/79/74/77/1024797477.db2.gz CGWBGLPFNYLZLI-UHFFFAOYSA-N 0 1 318.804 3.519 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231128 1024943833 /nfs/dbraw/zinc/94/38/33/1024943833.db2.gz LBSHKBYRJIVZOH-JQWIXIFHSA-N 0 1 304.331 3.664 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000793231128 1024943847 /nfs/dbraw/zinc/94/38/47/1024943847.db2.gz LBSHKBYRJIVZOH-JQWIXIFHSA-N 0 1 304.331 3.664 20 10 DHCDMN CCC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000728902077 1024944326 /nfs/dbraw/zinc/94/43/26/1024944326.db2.gz CWSMHBGTBLJGIA-UHFFFAOYSA-N 0 1 313.397 3.706 20 10 DHCDMN CCC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000728902077 1024944400 /nfs/dbraw/zinc/94/44/00/1024944400.db2.gz CWSMHBGTBLJGIA-UHFFFAOYSA-N 0 1 313.397 3.706 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793232605 1024947495 /nfs/dbraw/zinc/94/74/95/1024947495.db2.gz ZIPYVUYQYIQKNB-XVKPBYJWSA-N 0 1 311.706 3.957 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000793607998 1025126167 /nfs/dbraw/zinc/12/61/67/1025126167.db2.gz HAIWNCPQKFLDEK-KBPBESRZSA-N 0 1 316.228 3.842 20 10 DHCDMN CCC(CC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804870438 1025498541 /nfs/dbraw/zinc/49/85/41/1025498541.db2.gz AUABOVLPHZCITC-UHFFFAOYSA-N 0 1 305.205 3.687 20 10 DHCDMN CCC[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804870401 1025499407 /nfs/dbraw/zinc/49/94/07/1025499407.db2.gz ACPBPRRPKBZPHM-QMMMGPOBSA-N 0 1 305.205 3.687 20 10 DHCDMN C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805320444 1025572847 /nfs/dbraw/zinc/57/28/47/1025572847.db2.gz IZAGPYIZTGQKNK-LDYMZIIASA-N 0 1 317.216 3.687 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccns2)c1[O-] ZINC000860054390 1033293388 /nfs/dbraw/zinc/29/33/88/1033293388.db2.gz PGFXDXMUUHERMS-QMMMGPOBSA-N 0 1 310.806 3.556 20 10 DHCDMN C[C@@H]1C[C@H](NCc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684387 1025788542 /nfs/dbraw/zinc/78/85/42/1025788542.db2.gz KPBRPZHRIJDUAP-OTYXRUKQSA-N 0 1 302.349 3.735 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCCCC1 ZINC000806272252 1025846789 /nfs/dbraw/zinc/84/67/89/1025846789.db2.gz BBFDFAUWQKPFTA-UHFFFAOYSA-N 0 1 317.216 3.831 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1[O-] ZINC000886922054 1025980179 /nfs/dbraw/zinc/98/01/79/1025980179.db2.gz PUIPDJQXCXTIQA-KRWDZBQOSA-N 0 1 317.335 3.650 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1 ZINC000807835921 1026128978 /nfs/dbraw/zinc/12/89/78/1026128978.db2.gz BWYJSYQKPIMTPC-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245730922 1026178226 /nfs/dbraw/zinc/17/82/26/1026178226.db2.gz JUPWUOCBZAOHHU-HZMBPMFUSA-N 0 1 316.228 3.700 20 10 DHCDMN CCc1ncnc(NCc2cc(Cl)cc(Cl)c2O)c1F ZINC000808089853 1026202049 /nfs/dbraw/zinc/20/20/49/1026202049.db2.gz LSQXGEVJNDXIMK-UHFFFAOYSA-N 0 1 316.163 3.803 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)NCc2ccn(C(C)C)n2)c1O ZINC000808697530 1026372815 /nfs/dbraw/zinc/37/28/15/1026372815.db2.gz MHHSMFOIBZQHAG-LBPRGKRZSA-N 0 1 307.825 3.982 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c1[O-] ZINC000808701412 1026376269 /nfs/dbraw/zinc/37/62/69/1026376269.db2.gz XEXFWSIJZDMKIE-NUTKFTJISA-N 0 1 311.853 3.946 20 10 DHCDMN C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1[O-] ZINC000808729357 1026381568 /nfs/dbraw/zinc/38/15/68/1026381568.db2.gz ZAUZJIWPGUBFLR-QMTHXVAHSA-N 0 1 321.779 3.839 20 10 DHCDMN CN(CCC[N@@H+](C)Cc1cccc(Cl)c1[O-])Cc1ccco1 ZINC000809718291 1026603039 /nfs/dbraw/zinc/60/30/39/1026603039.db2.gz ICTDOVQLHUUGRN-UHFFFAOYSA-N 0 1 322.836 3.593 20 10 DHCDMN CN(CCC[N@H+](C)Cc1cc(Cl)ccc1[O-])Cc1ccco1 ZINC000809718865 1026603573 /nfs/dbraw/zinc/60/35/73/1026603573.db2.gz QLRGPDICIFXFOJ-UHFFFAOYSA-N 0 1 322.836 3.593 20 10 DHCDMN CN(CCC[N@@H+](C)Cc1cc(Cl)ccc1[O-])Cc1ccco1 ZINC000809718865 1026603578 /nfs/dbraw/zinc/60/35/78/1026603578.db2.gz QLRGPDICIFXFOJ-UHFFFAOYSA-N 0 1 322.836 3.593 20 10 DHCDMN CCCn1ccnc1CCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809755574 1026616858 /nfs/dbraw/zinc/61/68/58/1026616858.db2.gz LCNKCJYFRZTILX-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809755574 1026616864 /nfs/dbraw/zinc/61/68/64/1026616864.db2.gz LCNKCJYFRZTILX-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758178 1026618286 /nfs/dbraw/zinc/61/82/86/1026618286.db2.gz FQUFZDJKFJHNDP-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758178 1026618290 /nfs/dbraw/zinc/61/82/90/1026618290.db2.gz FQUFZDJKFJHNDP-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217595 1026709676 /nfs/dbraw/zinc/70/96/76/1026709676.db2.gz HYNOGSQZHFBKLX-ZFWWWQNUSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208438 1026719424 /nfs/dbraw/zinc/71/94/24/1026719424.db2.gz VHDHZGKDUFRBGR-AAEUAGOBSA-N 0 1 303.324 3.631 20 10 DHCDMN CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238816 1026725237 /nfs/dbraw/zinc/72/52/37/1026725237.db2.gz NTBPPWXYDILCRG-GWCFXTLKSA-N 0 1 305.340 3.877 20 10 DHCDMN CCOc1ccc(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000811511906 1027026625 /nfs/dbraw/zinc/02/66/25/1027026625.db2.gz XGJRFWZTUVTSPD-HNNXBMFYSA-N 0 1 307.434 3.570 20 10 DHCDMN CCOc1ccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000811511906 1027026621 /nfs/dbraw/zinc/02/66/21/1027026621.db2.gz XGJRFWZTUVTSPD-HNNXBMFYSA-N 0 1 307.434 3.570 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C1CC1 ZINC000811513907 1027029207 /nfs/dbraw/zinc/02/92/07/1027029207.db2.gz VODXUHVKIUEQJX-CQSZACIVSA-N 0 1 310.781 3.574 20 10 DHCDMN CCN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000156851014 1027180356 /nfs/dbraw/zinc/18/03/56/1027180356.db2.gz DJLJAEVSHDFQMM-UHFFFAOYSA-N 0 1 314.477 3.726 20 10 DHCDMN CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000813682957 1027696340 /nfs/dbraw/zinc/69/63/40/1027696340.db2.gz ODJWSTZPXTVPRM-UHFFFAOYSA-N 0 1 300.185 3.816 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876928 1027747015 /nfs/dbraw/zinc/74/70/15/1027747015.db2.gz DTNNKOZACMZYLR-HZMBPMFUSA-N 0 1 319.276 3.937 20 10 DHCDMN FC(F)(F)c1sccc1CNCc1ccc2c(c1)CCO2 ZINC000527651172 1027805740 /nfs/dbraw/zinc/80/57/40/1027805740.db2.gz GSXQBWOATJHYON-UHFFFAOYSA-N 0 1 313.344 3.992 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365623111 1027987927 /nfs/dbraw/zinc/98/79/27/1027987927.db2.gz PQZXSOBAFFXADT-NXHRZFHOSA-N 0 1 301.430 3.877 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000528003392 1028030131 /nfs/dbraw/zinc/03/01/31/1028030131.db2.gz SESVYJFRPBWLIK-DOMZBBRYSA-N 0 1 308.853 3.713 20 10 DHCDMN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1c(C)noc1C ZINC000815089518 1028359338 /nfs/dbraw/zinc/35/93/38/1028359338.db2.gz QGIVNAFFEYSAHB-MRXNPFEDSA-N 0 1 301.434 3.907 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000779154983 1028453441 /nfs/dbraw/zinc/45/34/41/1028453441.db2.gz XTOMSLCVOLIROJ-QMTHXVAHSA-N 0 1 318.244 3.682 20 10 DHCDMN COc1ccncc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000815628885 1028580361 /nfs/dbraw/zinc/58/03/61/1028580361.db2.gz MWHVRGIOYZTNEW-ZDUSSCGKSA-N 0 1 308.381 3.800 20 10 DHCDMN C[C@H](NCC(C)(F)F)c1cc(Br)cc(F)c1O ZINC000815644553 1028590511 /nfs/dbraw/zinc/59/05/11/1028590511.db2.gz FSOXVRMPDQJSOB-LURJTMIESA-N 0 1 312.129 3.600 20 10 DHCDMN Cc1nccnc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000815651263 1028594561 /nfs/dbraw/zinc/59/45/61/1028594561.db2.gz ORRPYRGYVMPWBB-ZDUSSCGKSA-N 0 1 307.397 3.537 20 10 DHCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816482305 1028894980 /nfs/dbraw/zinc/89/49/80/1028894980.db2.gz BBCBAHBSECCGNF-HNNXBMFYSA-N 0 1 308.784 3.860 20 10 DHCDMN [O-]c1c(C[NH+]2CCN(c3cccs3)CC2)ccc2ccccc21 ZINC000816515532 1028916818 /nfs/dbraw/zinc/91/68/18/1028916818.db2.gz CFDLCIBQTMOGGK-UHFFFAOYSA-N 0 1 324.449 3.929 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000816514842 1028919135 /nfs/dbraw/zinc/91/91/35/1028919135.db2.gz IZCBSNGYAKUEID-UHFFFAOYSA-N 0 1 309.690 3.879 20 10 DHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC[C@H](C)C1 ZINC000816535611 1028924407 /nfs/dbraw/zinc/92/44/07/1028924407.db2.gz UMSGAQAFWZUJAA-HOTGVXAUSA-N 0 1 312.457 3.755 20 10 DHCDMN CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC1 ZINC000816534842 1028924848 /nfs/dbraw/zinc/92/48/48/1028924848.db2.gz WJOKLMODRNTFTM-LJQANCHMSA-N 0 1 312.457 3.755 20 10 DHCDMN CN(C)CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816550068 1028933709 /nfs/dbraw/zinc/93/37/09/1028933709.db2.gz HJOJVJWGKZSJAK-HNNXBMFYSA-N 0 1 316.848 3.641 20 10 DHCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816560435 1028944451 /nfs/dbraw/zinc/94/44/51/1028944451.db2.gz OYDZUZWKHIPSQV-MSOLQXFVSA-N 0 1 313.441 3.774 20 10 DHCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000816560435 1028944462 /nfs/dbraw/zinc/94/44/62/1028944462.db2.gz OYDZUZWKHIPSQV-MSOLQXFVSA-N 0 1 313.441 3.774 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574982 1028952988 /nfs/dbraw/zinc/95/29/88/1028952988.db2.gz YMQMAUJFEUDHGQ-SFHVURJKSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574982 1028953002 /nfs/dbraw/zinc/95/30/02/1028953002.db2.gz YMQMAUJFEUDHGQ-SFHVURJKSA-N 0 1 311.425 3.936 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594756 1028955960 /nfs/dbraw/zinc/95/59/60/1028955960.db2.gz OGSDGCXSWYGKJE-VXNVDRBHSA-N 0 1 311.706 3.957 20 10 DHCDMN CCc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816608168 1028958633 /nfs/dbraw/zinc/95/86/33/1028958633.db2.gz QZZZNHMPPIJFAR-HXUWFJFHSA-N 0 1 321.420 3.931 20 10 DHCDMN Cc1noc([C@H]2CCCN2Cc2ccc3ccccc3c2O)n1 ZINC000816609859 1028958795 /nfs/dbraw/zinc/95/87/95/1028958795.db2.gz OXYHVVSMLDOAJG-MRXNPFEDSA-N 0 1 309.369 3.574 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000816613808 1028965500 /nfs/dbraw/zinc/96/55/00/1028965500.db2.gz FVCGCBCXOJHIGO-LSDHHAIUSA-N 0 1 313.800 3.574 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000816614085 1028965787 /nfs/dbraw/zinc/96/57/87/1028965787.db2.gz MIFPCLDBJVDPMG-PKOBYXMFSA-N 0 1 311.425 3.935 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000816614085 1028965801 /nfs/dbraw/zinc/96/58/01/1028965801.db2.gz MIFPCLDBJVDPMG-PKOBYXMFSA-N 0 1 311.425 3.935 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000290354901 1030013715 /nfs/dbraw/zinc/01/37/15/1030013715.db2.gz QKBZXDOSYZHSCV-XWCIJXRUSA-N 0 1 305.805 3.818 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530018 1030044311 /nfs/dbraw/zinc/04/43/11/1030044311.db2.gz NNJGCCJXHQUENY-KRWDZBQOSA-N 0 1 321.848 3.827 20 10 DHCDMN COc1cc(Cl)cc(CN(Cc2cccnc2)C2CC2)c1O ZINC000290609657 1030125648 /nfs/dbraw/zinc/12/56/48/1030125648.db2.gz WKXIBHORCOMYCJ-UHFFFAOYSA-N 0 1 318.804 3.614 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000866464733 1030306661 /nfs/dbraw/zinc/30/66/61/1030306661.db2.gz YKIMUBOFQPOMEF-AMJWSMQMSA-N 0 1 313.319 3.508 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866528073 1030344522 /nfs/dbraw/zinc/34/45/22/1030344522.db2.gz BDBVJYRKWYVCBF-STQMWFEESA-N 0 1 309.837 3.903 20 10 DHCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000824850294 1030655140 /nfs/dbraw/zinc/65/51/40/1030655140.db2.gz KUSLTZOYYRJXLQ-INIZCTEOSA-N 0 1 322.880 3.804 20 10 DHCDMN CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824870867 1030668740 /nfs/dbraw/zinc/66/87/40/1030668740.db2.gz YGBLHAZGSNDESV-AWEZNQCLSA-N 0 1 310.869 3.518 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824920375 1030670948 /nfs/dbraw/zinc/67/09/48/1030670948.db2.gz MBXOSKVQMOFMBJ-MRXNPFEDSA-N 0 1 319.836 3.733 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824920375 1030670959 /nfs/dbraw/zinc/67/09/59/1030670959.db2.gz MBXOSKVQMOFMBJ-MRXNPFEDSA-N 0 1 319.836 3.733 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824920375 1030670969 /nfs/dbraw/zinc/67/09/69/1030670969.db2.gz MBXOSKVQMOFMBJ-MRXNPFEDSA-N 0 1 319.836 3.733 20 10 DHCDMN COc1cccc(O)c1CN1CC(c2cccc(Cl)c2)C1 ZINC000824989031 1030696803 /nfs/dbraw/zinc/69/68/03/1030696803.db2.gz YBOFIDJCTQUTPE-UHFFFAOYSA-N 0 1 303.789 3.654 20 10 DHCDMN COc1ccc(OC)c(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825078385 1030720303 /nfs/dbraw/zinc/72/03/03/1030720303.db2.gz ZQDIFSTWGWLQBU-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000825321168 1030774644 /nfs/dbraw/zinc/77/46/44/1030774644.db2.gz UAAHUWGDAXUHMD-MAZHCROVSA-N 0 1 309.837 3.647 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)cc1Cl ZINC000825332193 1030777781 /nfs/dbraw/zinc/77/77/81/1030777781.db2.gz XLQRTLHJQUTYGV-GTNSWQLSSA-N 0 1 323.795 3.705 20 10 DHCDMN CN(C)c1ccc(CNc2cc[nH+]c3c([O-])cccc23)cc1F ZINC000795081064 1030782957 /nfs/dbraw/zinc/78/29/57/1030782957.db2.gz QINTZTCSMFXITC-UHFFFAOYSA-N 0 1 311.360 3.758 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000825391610 1030800139 /nfs/dbraw/zinc/80/01/39/1030800139.db2.gz YYGRKANWBWPHKI-KRWDZBQOSA-N 0 1 316.832 3.630 20 10 DHCDMN C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502124 1030827336 /nfs/dbraw/zinc/82/73/36/1030827336.db2.gz ULNRMMSRCXPATG-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502124 1030827359 /nfs/dbraw/zinc/82/73/59/1030827359.db2.gz ULNRMMSRCXPATG-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2[O-] ZINC000926915419 1030987236 /nfs/dbraw/zinc/98/72/36/1030987236.db2.gz GNGPLMBIUHOACP-VBVJRUAFSA-N 0 1 305.393 3.628 20 10 DHCDMN CCCCN(Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844324537 1031067271 /nfs/dbraw/zinc/06/72/71/1031067271.db2.gz VXKZRSWKLODUHK-UHFFFAOYSA-N 0 1 313.445 3.727 20 10 DHCDMN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000927072952 1031072334 /nfs/dbraw/zinc/07/23/34/1031072334.db2.gz ZTHHDCYVTBDBBS-MEDUHNTESA-N 0 1 307.825 3.827 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(Cl)cc1[O-] ZINC000927101051 1031088119 /nfs/dbraw/zinc/08/81/19/1031088119.db2.gz PKIFEMXTKPHRNO-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001144306840 1031455383 /nfs/dbraw/zinc/45/53/83/1031455383.db2.gz SQPLXOAXHNXECO-UHFFFAOYSA-N 0 1 314.198 3.670 20 10 DHCDMN CCC[N@@H+](Cc1cccc(OCC)n1)Cc1ccccc1O ZINC000124040148 1031578163 /nfs/dbraw/zinc/57/81/63/1031578163.db2.gz VXTZXCHWRTULSL-UHFFFAOYSA-N 0 1 300.402 3.598 20 10 DHCDMN CCCOc1ccc(CN[C@H](CO)c2ccsc2)cc1C ZINC000873106606 1031713205 /nfs/dbraw/zinc/71/32/05/1031713205.db2.gz BZWPPWJFQJAYHJ-MRXNPFEDSA-N 0 1 305.443 3.669 20 10 DHCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000846013485 1031807793 /nfs/dbraw/zinc/80/77/93/1031807793.db2.gz BTNZAPMHRFJBSU-NSHDSACASA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1ccc(O)c(CN[C@H](Cc2ccccc2)c2nccn2C)c1 ZINC000846059576 1031816333 /nfs/dbraw/zinc/81/63/33/1031816333.db2.gz YJSVOUVCOAQCAZ-GOSISDBHSA-N 0 1 321.424 3.508 20 10 DHCDMN CCn1cc(CN(Cc2ccc(N(C)C)c(F)c2)C(C)C)cn1 ZINC000846056300 1031818038 /nfs/dbraw/zinc/81/80/38/1031818038.db2.gz SWICJGDUGPERIC-UHFFFAOYSA-N 0 1 318.440 3.519 20 10 DHCDMN CC(C)N(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846054453 1031849251 /nfs/dbraw/zinc/84/92/51/1031849251.db2.gz BKFDMCJALQTCPT-UHFFFAOYSA-N 0 1 319.836 3.575 20 10 DHCDMN Oc1cc2c(cc1O)C[N@@H+](Cc1cccc3cc[nH]c31)CCC2 ZINC001144718622 1031869866 /nfs/dbraw/zinc/86/98/66/1031869866.db2.gz UCWZPIHNAYRTLF-UHFFFAOYSA-N 0 1 308.381 3.528 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105639 1031880334 /nfs/dbraw/zinc/88/03/34/1031880334.db2.gz XIYDDIBMLJERMR-ZDUSSCGKSA-N 0 1 305.727 3.806 20 10 DHCDMN CCCc1nc(C)c(CN[C@H](C)c2cccc(OC)c2O)o1 ZINC000846171075 1031898420 /nfs/dbraw/zinc/89/84/20/1031898420.db2.gz QZEWGDQFIHMQNR-LLVKDONJSA-N 0 1 304.390 3.501 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)ccc2ccccc21 ZINC000898065063 1031932293 /nfs/dbraw/zinc/93/22/93/1031932293.db2.gz QAIUKJRAZHHPAB-QFBILLFUSA-N 0 1 309.409 3.594 20 10 DHCDMN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000927066342 1033487502 /nfs/dbraw/zinc/48/75/02/1033487502.db2.gz BHYWFDYVVHFSJJ-ZBEGNZNMSA-N 0 1 307.825 3.827 20 10 DHCDMN O=C(C[NH2+]C1CCC2(CCCCC2)CC1)c1ccc([O-])c(O)c1 ZINC001173116793 1033552354 /nfs/dbraw/zinc/55/23/54/1033552354.db2.gz YQYUQIDOQDDIIS-UHFFFAOYSA-N 0 1 317.429 3.763 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)C1(F)F ZINC000863273983 1034050264 /nfs/dbraw/zinc/05/02/64/1034050264.db2.gz GKHZBCUJPNFWNU-TXEJJXNPSA-N 0 1 306.356 3.664 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)C1(F)F ZINC000863273983 1034050278 /nfs/dbraw/zinc/05/02/78/1034050278.db2.gz GKHZBCUJPNFWNU-TXEJJXNPSA-N 0 1 306.356 3.664 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3cnn(C)c3c2)c(Cl)c1 ZINC001202547854 1034118649 /nfs/dbraw/zinc/11/86/49/1034118649.db2.gz ZQGOVZIUMJLSCW-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000184840067 1034504937 /nfs/dbraw/zinc/50/49/37/1034504937.db2.gz YCNAZFUXMKLOEQ-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000185095453 1034526911 /nfs/dbraw/zinc/52/69/11/1034526911.db2.gz ZRUWTOGNLVFWGA-QFYYESIMSA-N 0 1 309.768 3.569 20 10 DHCDMN Cc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)ccn1 ZINC001174654212 1034557457 /nfs/dbraw/zinc/55/74/57/1034557457.db2.gz WLYGTJLTKVTGJM-QNUODCBWSA-N 0 1 304.357 3.658 20 10 DHCDMN Cc1cc(Nc2c(Cl)ccc(Br)c2[O-])cc[nH+]1 ZINC001174660061 1034558483 /nfs/dbraw/zinc/55/84/83/1034558483.db2.gz FHJGZHXUYYCRMC-UHFFFAOYSA-N 0 1 313.582 3.677 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000185669968 1034565182 /nfs/dbraw/zinc/56/51/82/1034565182.db2.gz KZVFGLQKWAOGKC-KOLCDFICSA-N 0 1 303.880 3.545 20 10 DHCDMN C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185739021 1034571587 /nfs/dbraw/zinc/57/15/87/1034571587.db2.gz ZFFVSBSMLMTRBH-DZKIICNBSA-N 0 1 317.404 3.737 20 10 DHCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000186131078 1034601557 /nfs/dbraw/zinc/60/15/57/1034601557.db2.gz WNNJUJFPCCLOJP-JSGCOSHPSA-N 0 1 309.413 3.859 20 10 DHCDMN CC[C@H](N[C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534121 1034639445 /nfs/dbraw/zinc/63/94/45/1034639445.db2.gz HVSSIWUCVFZPPO-DLBZAZTESA-N 0 1 302.418 3.510 20 10 DHCDMN COc1cccc(CN(Cc2ccccc2F)C2CC2)c1O ZINC000120567871 1034662217 /nfs/dbraw/zinc/66/22/17/1034662217.db2.gz BSIXWRRVPYLSPU-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN CCOc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1CO ZINC000187892685 1034739294 /nfs/dbraw/zinc/73/92/94/1034739294.db2.gz MWBRHSWICFQQJA-SNVBAGLBSA-N 0 1 323.339 3.735 20 10 DHCDMN CC(C)([NH3+])c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000904470615 1035417561 /nfs/dbraw/zinc/41/75/61/1035417561.db2.gz NJTFQXJSXKUZKX-UHFFFAOYSA-N 0 1 308.784 3.991 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c(Cl)c1 ZINC001178773646 1035449118 /nfs/dbraw/zinc/44/91/18/1035449118.db2.gz BEXUBUGXBFHYIK-RHSMWYFYSA-N 0 1 313.869 3.733 20 10 DHCDMN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042985 1035571930 /nfs/dbraw/zinc/57/19/30/1035571930.db2.gz NQJIOXOWLZKFFU-CKEIUWERSA-N 0 1 322.880 3.883 20 10 DHCDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001180142298 1035597809 /nfs/dbraw/zinc/59/78/09/1035597809.db2.gz MGMNRBPIPHVVJZ-QWHCGFSZSA-N 0 1 301.402 3.776 20 10 DHCDMN C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc21 ZINC001193626631 1035680993 /nfs/dbraw/zinc/68/09/93/1035680993.db2.gz YJTCDUMXNNRLJW-OTYXRUKQSA-N 0 1 317.772 3.730 20 10 DHCDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc3nccn32)cc1 ZINC000775646251 1036175453 /nfs/dbraw/zinc/17/54/53/1036175453.db2.gz GDYDTRHHZDISBU-UHFFFAOYSA-N 0 1 322.456 3.813 20 10 DHCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160663 1036207088 /nfs/dbraw/zinc/20/70/88/1036207088.db2.gz ZBINBKFRUJBJNB-UWVGGRQHSA-N 0 1 305.249 3.690 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000775654917 1036237366 /nfs/dbraw/zinc/23/73/66/1036237366.db2.gz RAURVMXKLYLDMY-NSHDSACASA-N 0 1 323.742 3.589 20 10 DHCDMN CCC(CC)[N@@H+](CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775657020 1036259746 /nfs/dbraw/zinc/25/97/46/1036259746.db2.gz UDVJRZRSOUVANM-UHFFFAOYSA-N 0 1 303.805 3.822 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000774381550 1036307392 /nfs/dbraw/zinc/30/73/92/1036307392.db2.gz YSWHKFMQDZCFEE-DOMZBBRYSA-N 0 1 308.853 3.713 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000774400039 1036318253 /nfs/dbraw/zinc/31/82/53/1036318253.db2.gz RJYRTRAMICUEFE-RDJZCZTQSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000774402549 1036320490 /nfs/dbraw/zinc/32/04/90/1036320490.db2.gz RJYRTRAMICUEFE-NVXWUHKLSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](CC)CO1 ZINC001182755815 1036436313 /nfs/dbraw/zinc/43/63/13/1036436313.db2.gz VHTHIIKMDCELIY-GHMZBOCLSA-N 0 1 301.789 3.574 20 10 DHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC12CCCC2 ZINC001182755055 1036435463 /nfs/dbraw/zinc/43/54/63/1036435463.db2.gz PVHCXXIGDFQPPJ-UHFFFAOYSA-N 0 1 314.198 3.812 20 10 DHCDMN Cc1cc(Br)cc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC000775701228 1036473401 /nfs/dbraw/zinc/47/34/01/1036473401.db2.gz PEVKVCVRPCLUTR-UHFFFAOYSA-N 0 1 310.235 3.839 20 10 DHCDMN C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775740447 1036597607 /nfs/dbraw/zinc/59/76/07/1036597607.db2.gz LTVQDFYTVPCOLL-PXAZEXFGSA-N 0 1 317.816 3.870 20 10 DHCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC001184373580 1036837956 /nfs/dbraw/zinc/83/79/56/1036837956.db2.gz AIFHYFIUCQQHBG-AWEZNQCLSA-N 0 1 315.816 3.822 20 10 DHCDMN CCc1nnc([C@@H](C)NCc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000762631996 1036879710 /nfs/dbraw/zinc/87/97/10/1036879710.db2.gz UOKXQASEHKHWPN-CYBMUJFWSA-N 0 1 322.412 3.591 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cncs1 ZINC000163598130 1036904475 /nfs/dbraw/zinc/90/44/75/1036904475.db2.gz ATTCGLASVUJCGD-CYBMUJFWSA-N 0 1 319.499 3.547 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(OC)cn2)cc1 ZINC000775928875 1037193563 /nfs/dbraw/zinc/19/35/63/1037193563.db2.gz GLUXMKZKXKYHGK-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000776005990 1037301560 /nfs/dbraw/zinc/30/15/60/1037301560.db2.gz FRULDVLEYJOUQS-ZIAGYGMSSA-N 0 1 310.869 3.503 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203636136 1037365332 /nfs/dbraw/zinc/36/53/32/1037365332.db2.gz PRBNYZOYBROSGU-VXGBXAGGSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203636136 1037365343 /nfs/dbraw/zinc/36/53/43/1037365343.db2.gz PRBNYZOYBROSGU-VXGBXAGGSA-N 0 1 310.235 3.777 20 10 DHCDMN CCCC[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000913064398 1037714112 /nfs/dbraw/zinc/71/41/12/1037714112.db2.gz RAHPBTOZMDVWCS-UHFFFAOYSA-N 0 1 301.386 3.564 20 10 DHCDMN CCCC[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000913064398 1037714131 /nfs/dbraw/zinc/71/41/31/1037714131.db2.gz RAHPBTOZMDVWCS-UHFFFAOYSA-N 0 1 301.386 3.564 20 10 DHCDMN CCOc1ncccc1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000151197114 1037759275 /nfs/dbraw/zinc/75/92/75/1037759275.db2.gz OFANUBOISZFVOP-GOSISDBHSA-N 0 1 313.445 3.787 20 10 DHCDMN CC[C@H](NCc1nccn1CC(C)C)c1ccc(N(C)C)cc1 ZINC000164803239 1038306156 /nfs/dbraw/zinc/30/61/56/1038306156.db2.gz ZBCWXLXVTUQZLR-SFHVURJKSA-N 0 1 314.477 3.846 20 10 DHCDMN CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)ccc1[O-] ZINC000775492124 1038560678 /nfs/dbraw/zinc/56/06/78/1038560678.db2.gz MCNXEXHRDWKZCP-HNNXBMFYSA-N 0 1 307.825 3.751 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775488557 1038562659 /nfs/dbraw/zinc/56/26/59/1038562659.db2.gz IXUPVSHEZIDLJC-BPQIPLTHSA-N 0 1 317.816 3.745 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cc(Cl)ccc1[O-] ZINC000775489373 1038566425 /nfs/dbraw/zinc/56/64/25/1038566425.db2.gz YWGCJAGRDISCEH-AWEZNQCLSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775499639 1038583973 /nfs/dbraw/zinc/58/39/73/1038583973.db2.gz LJVWVJJENWXGDM-HNNXBMFYSA-N 0 1 307.825 3.637 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1[O-] ZINC000775522714 1038632231 /nfs/dbraw/zinc/63/22/31/1038632231.db2.gz YMVCSTBJLBIRHV-KGLIPLIRSA-N 0 1 305.809 3.887 20 10 DHCDMN CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775531707 1038668186 /nfs/dbraw/zinc/66/81/86/1038668186.db2.gz MPNBXFKNBFSQBX-ZBFHGGJFSA-N 0 1 311.853 3.883 20 10 DHCDMN Cc1ncsc1CN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172496779 1039922542 /nfs/dbraw/zinc/92/25/42/1039922542.db2.gz YIWJAJZBVPKDOL-UHFFFAOYSA-N 0 1 320.458 3.792 20 10 DHCDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272226430 130010057 /nfs/dbraw/zinc/01/00/57/130010057.db2.gz CZFYISMDOWKFSF-ZDUSSCGKSA-N 0 1 301.361 3.529 20 10 DHCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000273427470 130120764 /nfs/dbraw/zinc/12/07/64/130120764.db2.gz UOXQYUUEPXHVFC-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273482570 130125887 /nfs/dbraw/zinc/12/58/87/130125887.db2.gz MKPIVZTVKJCDOJ-MEBBXXQBSA-N 0 1 313.319 3.509 20 10 DHCDMN COc1c(O)c(C[N@@H+](C)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000278274749 334094439 /nfs/dbraw/zinc/09/44/39/334094439.db2.gz RZLVBWBASIGKOL-SNVBAGLBSA-N 0 1 322.386 3.564 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000278274749 334094441 /nfs/dbraw/zinc/09/44/41/334094441.db2.gz RZLVBWBASIGKOL-SNVBAGLBSA-N 0 1 322.386 3.564 20 10 DHCDMN CCCn1ccnc1CCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000290322043 334172411 /nfs/dbraw/zinc/17/24/11/334172411.db2.gz DBCFCTRUOHRECW-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000290322043 334172412 /nfs/dbraw/zinc/17/24/12/334172412.db2.gz DBCFCTRUOHRECW-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN COc1cccc([C@@H](NCc2ccccc2O)c2ccccn2)c1 ZINC000375073278 337002599 /nfs/dbraw/zinc/00/25/99/337002599.db2.gz DUSLQVJDLXEFBM-HXUWFJFHSA-N 0 1 320.392 3.675 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375301798 337007386 /nfs/dbraw/zinc/00/73/86/337007386.db2.gz IAQQMMQPDNNFGA-UHFFFAOYSA-N 0 1 320.795 3.901 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377617829 337056456 /nfs/dbraw/zinc/05/64/56/337056456.db2.gz BMJIBVJKCPEXEG-UHFFFAOYSA-N 0 1 317.820 3.517 20 10 DHCDMN Cc1cnn(-c2cc[nH+]cc2NCc2cccc(Cl)c2[O-])c1 ZINC000182669936 337189387 /nfs/dbraw/zinc/18/93/87/337189387.db2.gz WLQNIPGQNNBRSA-UHFFFAOYSA-N 0 1 314.776 3.547 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683820 337249978 /nfs/dbraw/zinc/24/99/78/337249978.db2.gz WBFLEKWBIWEHGF-UKRRQHHQSA-N 0 1 314.433 3.601 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC(F)(F)C1 ZINC000529567990 340763690 /nfs/dbraw/zinc/76/36/90/340763690.db2.gz YUYRDTHLRSFNHT-MRVPVSSYSA-N 0 1 320.177 3.678 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(C)cc2)c1[O-] ZINC000182349280 518286778 /nfs/dbraw/zinc/28/67/78/518286778.db2.gz UJSOJQFLGOBCBX-GFCCVEGCSA-N 0 1 301.361 3.893 20 10 DHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCc2cccnc21 ZINC000365032756 523304776 /nfs/dbraw/zinc/30/47/76/523304776.db2.gz XINTYQZTFPGSDE-HNNXBMFYSA-N 0 1 302.805 3.950 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](CC)c2ccccc2O)o1 ZINC000156014429 524051527 /nfs/dbraw/zinc/05/15/27/524051527.db2.gz ABXHBMIVYCPLFL-CVEARBPZSA-N 0 1 303.402 3.976 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129985406 526324339 /nfs/dbraw/zinc/32/43/39/526324339.db2.gz KRGHPBCJCVMFFO-JTQLQIEISA-N 0 1 316.228 3.700 20 10 DHCDMN CC(C)(C)c1csc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000297576180 535148924 /nfs/dbraw/zinc/14/89/24/535148924.db2.gz GWTJJQUBFZQZEE-LBPRGKRZSA-N 0 1 302.443 3.923 20 10 DHCDMN CO[C@H](C)c1nc(CN[C@@H](C)c2ccc(C)cc2O)cs1 ZINC000273367552 536511988 /nfs/dbraw/zinc/51/19/88/536511988.db2.gz BSSXCFKFAYEWMY-NWDGAFQWSA-N 0 1 306.431 3.715 20 10 DHCDMN CC(C)(C)CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756381641 955264018 /nfs/dbraw/zinc/26/40/18/955264018.db2.gz ILUUBYLUMFJIMD-NSHDSACASA-N 0 1 317.788 3.554 20 10 DHCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000369596839 1013213230 /nfs/dbraw/zinc/21/32/30/1013213230.db2.gz LDBIVVAXUVZWMU-INMHGKMJSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000369596839 1013213237 /nfs/dbraw/zinc/21/32/37/1013213237.db2.gz LDBIVVAXUVZWMU-INMHGKMJSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000369596839 1013213242 /nfs/dbraw/zinc/21/32/42/1013213242.db2.gz LDBIVVAXUVZWMU-INMHGKMJSA-N 0 1 309.837 3.561 20 10 DHCDMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000120846397 1013529954 /nfs/dbraw/zinc/52/99/54/1013529954.db2.gz KBXIDLAORRMALS-SNVBAGLBSA-N 0 1 321.323 3.592 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846773166 1032075777 /nfs/dbraw/zinc/07/57/77/1032075777.db2.gz XBTLMFKTJLXLTC-UHFFFAOYSA-N 0 1 321.827 3.962 20 10 DHCDMN Cc1ccsc1C[NH2+]Cc1c([O-])cccc1Br ZINC000706809953 1014587328 /nfs/dbraw/zinc/58/73/28/1014587328.db2.gz UKHQQWRGDHNUEA-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000895156720 1014662802 /nfs/dbraw/zinc/66/28/02/1014662802.db2.gz ZLCPEOAITNXFCX-UHFFFAOYSA-N 0 1 307.825 3.730 20 10 DHCDMN Cc1ccc(C[N@H+](C)Cc2cccc(Br)c2[O-])o1 ZINC000160862885 1014727569 /nfs/dbraw/zinc/72/75/69/1014727569.db2.gz GOKCTZYKPROXOX-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])ccn1 ZINC000834859576 1014820418 /nfs/dbraw/zinc/82/04/18/1014820418.db2.gz DRYCRIMCEOJWMK-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN CCN(Cc1ccnn1C1CCC1)Cc1ccc(N(C)C)cc1 ZINC000891435417 1015037888 /nfs/dbraw/zinc/03/78/88/1015037888.db2.gz CRURIMYKCXOYFQ-UHFFFAOYSA-N 0 1 312.461 3.696 20 10 DHCDMN CCOc1cccc(CNC(C)(C)c2ncc(C)s2)c1O ZINC000175982494 1015507402 /nfs/dbraw/zinc/50/74/02/1015507402.db2.gz OGJWLDQDYIFAEY-UHFFFAOYSA-N 0 1 306.431 3.581 20 10 DHCDMN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000322414770 1032119489 /nfs/dbraw/zinc/11/94/89/1032119489.db2.gz XEWBNFSKLUDXSU-ZDUSSCGKSA-N 0 1 314.429 3.501 20 10 DHCDMN [O-]c1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000896422913 1015582507 /nfs/dbraw/zinc/58/25/07/1015582507.db2.gz NBBWOCCSJXTMCR-HIFRSBDPSA-N 0 1 307.752 3.607 20 10 DHCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896529186 1015613300 /nfs/dbraw/zinc/61/33/00/1015613300.db2.gz YTYSICRRQDLDNH-CQSZACIVSA-N 0 1 302.443 3.612 20 10 DHCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896529185 1015612898 /nfs/dbraw/zinc/61/28/98/1015612898.db2.gz YTYSICRRQDLDNH-AWEZNQCLSA-N 0 1 302.443 3.612 20 10 DHCDMN COc1cc(O)c(CN[C@H](C)c2c(F)cccc2F)cc1OC ZINC000896780138 1015740667 /nfs/dbraw/zinc/74/06/67/1015740667.db2.gz XBYDZIGPCHAOET-SNVBAGLBSA-N 0 1 323.339 3.538 20 10 DHCDMN COC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000091071450 1015861445 /nfs/dbraw/zinc/86/14/45/1015861445.db2.gz DPMDGFZUEIGTEI-SFHVURJKSA-N 0 1 320.383 3.508 20 10 DHCDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234224 1016091677 /nfs/dbraw/zinc/09/16/77/1016091677.db2.gz MPBFERVZEQOQAA-AVGNSLFASA-N 0 1 302.422 3.744 20 10 DHCDMN COc1ccc(CNCc2cccc(C(F)(F)F)n2)cc1C ZINC000294879049 1032192154 /nfs/dbraw/zinc/19/21/54/1032192154.db2.gz VKGRPUNNMSZKID-UHFFFAOYSA-N 0 1 310.319 3.707 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)[nH]n1 ZINC000282815864 1032496749 /nfs/dbraw/zinc/49/67/49/1032496749.db2.gz AGTABWASJAXBCM-MRXNPFEDSA-N 0 1 321.424 3.957 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)[nH]n1 ZINC000282815864 1032496754 /nfs/dbraw/zinc/49/67/54/1032496754.db2.gz AGTABWASJAXBCM-MRXNPFEDSA-N 0 1 321.424 3.957 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000840859640 1017208382 /nfs/dbraw/zinc/20/83/82/1017208382.db2.gz LDVNJSLMNICEHQ-YWVKMMECSA-N 0 1 316.264 3.699 20 10 DHCDMN Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897298608 1017343310 /nfs/dbraw/zinc/34/33/10/1017343310.db2.gz DDSWBFMMJPOPLZ-GFCCVEGCSA-N 0 1 322.861 3.875 20 10 DHCDMN CC[C@@H](NCc1nnc(C2CC2)s1)c1ccc(C)cc1O ZINC000840892315 1017413742 /nfs/dbraw/zinc/41/37/42/1017413742.db2.gz XWQDQLNWAMYBSQ-CYBMUJFWSA-N 0 1 303.431 3.670 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766120369 1018418018 /nfs/dbraw/zinc/41/80/18/1018418018.db2.gz RSXWVIWYJJPCMD-LLVKDONJSA-N 0 1 310.319 3.715 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766120369 1018418027 /nfs/dbraw/zinc/41/80/27/1018418027.db2.gz RSXWVIWYJJPCMD-LLVKDONJSA-N 0 1 310.319 3.715 20 10 DHCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706829921 1018762953 /nfs/dbraw/zinc/76/29/53/1018762953.db2.gz GXSYRNWGZNJNRR-VHSXEESVSA-N 0 1 316.264 3.528 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2n1C ZINC000921753460 1018768050 /nfs/dbraw/zinc/76/80/50/1018768050.db2.gz CVTOHLLSYGWSJN-CQSZACIVSA-N 0 1 321.424 3.749 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCCC1(F)F ZINC000706881303 1018771854 /nfs/dbraw/zinc/77/18/54/1018771854.db2.gz PEAOKEGYLAKMQX-SECBINFHSA-N 0 1 320.177 3.680 20 10 DHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC2CCC1CC2 ZINC000715713530 1018951224 /nfs/dbraw/zinc/95/12/24/1018951224.db2.gz QTIXKJQSWLTUNN-UHFFFAOYSA-N 0 1 314.198 3.668 20 10 DHCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715718470 1018951889 /nfs/dbraw/zinc/95/18/89/1018951889.db2.gz NSUQYEANYDVUJZ-VHSXEESVSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1[N+](=O)[O-] ZINC000921966633 1019229894 /nfs/dbraw/zinc/22/98/94/1019229894.db2.gz LXXLYSVMRDJSIM-CYBMUJFWSA-N 0 1 312.369 3.771 20 10 DHCDMN CCn1nccc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858292747 1032830795 /nfs/dbraw/zinc/83/07/95/1032830795.db2.gz DVKCVXJVAHABMC-UHFFFAOYSA-N 0 1 308.429 3.600 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000732049479 1020197101 /nfs/dbraw/zinc/19/71/01/1020197101.db2.gz ZDFOJHXZCUJFAN-CYBMUJFWSA-N 0 1 323.849 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000732049479 1020197109 /nfs/dbraw/zinc/19/71/09/1020197109.db2.gz ZDFOJHXZCUJFAN-CYBMUJFWSA-N 0 1 323.849 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000091958294 1020326701 /nfs/dbraw/zinc/32/67/01/1020326701.db2.gz VTOHHIYIOVPTIC-GDBMZVCRSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000091958294 1020326712 /nfs/dbraw/zinc/32/67/12/1020326712.db2.gz VTOHHIYIOVPTIC-GDBMZVCRSA-N 0 1 321.804 3.727 20 10 DHCDMN Cc1ccc(OCC[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC000733322483 1020370756 /nfs/dbraw/zinc/37/07/56/1020370756.db2.gz IZEDAZXHHUMMJE-UHFFFAOYSA-N 0 1 305.805 3.831 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)c1ccccc1 ZINC000733324537 1020371800 /nfs/dbraw/zinc/37/18/00/1020371800.db2.gz JDMAYBKRMPPKPU-CYBMUJFWSA-N 0 1 304.821 3.660 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Cl)cc1[O-] ZINC000858454422 1032901744 /nfs/dbraw/zinc/90/17/44/1032901744.db2.gz FJCYYOBIJSXOFA-LRDDRELGSA-N 0 1 317.816 3.838 20 10 DHCDMN COc1cccc(F)c1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000378879925 1020523689 /nfs/dbraw/zinc/52/36/89/1020523689.db2.gz FLICZBIBHRSFCU-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000163633401 1020611038 /nfs/dbraw/zinc/61/10/38/1020611038.db2.gz TXQJFHAQCLAZGQ-OAHLLOKOSA-N 0 1 316.470 3.992 20 10 DHCDMN Cc1ccc(CC[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000734847635 1020667566 /nfs/dbraw/zinc/66/75/66/1020667566.db2.gz RRYDPYCJMDFSBV-UHFFFAOYSA-N 0 1 320.230 3.795 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C1 ZINC000282130978 1020867188 /nfs/dbraw/zinc/86/71/88/1020867188.db2.gz BKPGJGNBAMSTEV-SKDRFNHKSA-N 0 1 304.217 3.698 20 10 DHCDMN Cc1cccc(F)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000742381572 1021109701 /nfs/dbraw/zinc/10/97/01/1021109701.db2.gz XKUKARQRXMBNDU-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN Cc1cnc([C@@H](NCc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000742378089 1021115593 /nfs/dbraw/zinc/11/55/93/1021115593.db2.gz VWSMDSJHJGDEIY-INIZCTEOSA-N 0 1 301.459 3.758 20 10 DHCDMN CC(=O)c1cc(F)cc(CN[C@H](C)c2cccc(F)c2F)c1O ZINC000182000567 1021424788 /nfs/dbraw/zinc/42/47/88/1021424788.db2.gz ORPJTGDSXLTKSS-SECBINFHSA-N 0 1 323.314 3.863 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(F)c2F)c1[O-] ZINC000182000567 1021424794 /nfs/dbraw/zinc/42/47/94/1021424794.db2.gz ORPJTGDSXLTKSS-SECBINFHSA-N 0 1 323.314 3.863 20 10 DHCDMN COc1cc(CNCc2cccnc2F)c(O)c(C(C)(C)C)c1 ZINC000850281967 1021464852 /nfs/dbraw/zinc/46/48/52/1021464852.db2.gz PYAYLBURQFFVCE-UHFFFAOYSA-N 0 1 318.392 3.522 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850526434 1021579390 /nfs/dbraw/zinc/57/93/90/1021579390.db2.gz CCGGTSSVOKTVQQ-GLZQIGESSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850573094 1021617239 /nfs/dbraw/zinc/61/72/39/1021617239.db2.gz JFJUWLOJOCZFQG-VBHSOAQHSA-N 0 1 319.832 3.861 20 10 DHCDMN CC(C)c1ncc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000155197288 1022058628 /nfs/dbraw/zinc/05/86/28/1022058628.db2.gz DXDXBCLGLQHHKK-UHFFFAOYSA-N 0 1 303.475 3.965 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586617 1022296633 /nfs/dbraw/zinc/29/66/33/1022296633.db2.gz VCNLZHICIVBWCP-UKRRQHHQSA-N 0 1 323.392 3.760 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586617 1022296639 /nfs/dbraw/zinc/29/66/39/1022296639.db2.gz VCNLZHICIVBWCP-UKRRQHHQSA-N 0 1 323.392 3.760 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CCCC3)C2)c1[O-] ZINC001169395620 1022395142 /nfs/dbraw/zinc/39/51/42/1022395142.db2.gz KQHRGECHWPWIIW-UHFFFAOYSA-N 0 1 305.393 3.890 20 10 DHCDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768161338 1022907355 /nfs/dbraw/zinc/90/73/55/1022907355.db2.gz ZBUYBRDKNNYPCB-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN COc1ccccc1CN(Cc1c(O)cccc1OC)C1CC1 ZINC000768257669 1022933512 /nfs/dbraw/zinc/93/35/12/1022933512.db2.gz OBEPNCMPXVNIGC-UHFFFAOYSA-N 0 1 313.397 3.574 20 10 DHCDMN C[C@H](c1ccccc1Cl)N(C)Cc1cc2c(cc1O)OCO2 ZINC000768262167 1022935743 /nfs/dbraw/zinc/93/57/43/1022935743.db2.gz HHBYMUVQIZNGDG-LLVKDONJSA-N 0 1 319.788 3.967 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c2c1c(F)ccc2[O-] ZINC000768295464 1022942277 /nfs/dbraw/zinc/94/22/77/1022942277.db2.gz SJOJDYOQTHWZLM-YOVKBJGQSA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c2c1c(F)ccc2[O-] ZINC000768295459 1022943688 /nfs/dbraw/zinc/94/36/88/1022943688.db2.gz SJOJDYOQTHWZLM-AUENNLLBSA-N 0 1 319.420 3.874 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3ccccc3)C1)CCCC2 ZINC000768442683 1022968261 /nfs/dbraw/zinc/96/82/61/1022968261.db2.gz YWIUOSLRTQGDOK-NRFANRHFSA-N 0 1 323.436 3.845 20 10 DHCDMN COc1ccccc1OCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000768821543 1023037708 /nfs/dbraw/zinc/03/77/08/1023037708.db2.gz BPSREDHGLUKBAP-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN COc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000768821543 1023037718 /nfs/dbraw/zinc/03/77/18/1023037718.db2.gz BPSREDHGLUKBAP-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000769000339 1023076195 /nfs/dbraw/zinc/07/61/95/1023076195.db2.gz SWZPQFRNOOQCMN-UHFFFAOYSA-N 0 1 316.832 3.758 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000769000339 1023076202 /nfs/dbraw/zinc/07/62/02/1023076202.db2.gz SWZPQFRNOOQCMN-UHFFFAOYSA-N 0 1 316.832 3.758 20 10 DHCDMN CCSC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691464814 1023189160 /nfs/dbraw/zinc/18/91/60/1023189160.db2.gz GNDSWZZBCZMMBX-UHFFFAOYSA-N 0 1 316.264 3.530 20 10 DHCDMN Clc1cnc(CNCCCSc2nccs2)s1 ZINC000769915135 1023232645 /nfs/dbraw/zinc/23/26/45/1023232645.db2.gz YVGCXIVJPMGNOC-UHFFFAOYSA-N 0 1 305.881 3.525 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)c2c1c(F)ccc2[O-] ZINC000756624951 1023235079 /nfs/dbraw/zinc/23/50/79/1023235079.db2.gz HZAPTQOGTKCMSP-OCCSQVGLSA-N 0 1 307.409 3.612 20 10 DHCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000769873570 1023237410 /nfs/dbraw/zinc/23/74/10/1023237410.db2.gz JAWHTLFPWHSYAB-CYBMUJFWSA-N 0 1 301.434 3.771 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000691488550 1023421958 /nfs/dbraw/zinc/42/19/58/1023421958.db2.gz PEZORQMYAOQXOK-JTQLQIEISA-N 0 1 320.177 3.680 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000691488555 1023422087 /nfs/dbraw/zinc/42/20/87/1023422087.db2.gz PEZORQMYAOQXOK-SNVBAGLBSA-N 0 1 320.177 3.680 20 10 DHCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)cnc1Cl ZINC000771934875 1023489187 /nfs/dbraw/zinc/48/91/87/1023489187.db2.gz DTBQAEGZUXBCLC-UHFFFAOYSA-N 0 1 303.837 3.741 20 10 DHCDMN CN(C)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000771935586 1023489957 /nfs/dbraw/zinc/48/99/57/1023489957.db2.gz YUAWLZZBCICNAY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000771935586 1023489958 /nfs/dbraw/zinc/48/99/58/1023489958.db2.gz YUAWLZZBCICNAY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000788508386 1023897871 /nfs/dbraw/zinc/89/78/71/1023897871.db2.gz XIJMVFWTVQAQEA-UHFFFAOYSA-N 0 1 324.428 3.806 20 10 DHCDMN Cc1cc(C)c([C@@H](C)NCc2nccn2CC(C)C)c(O)c1 ZINC000788616198 1023913764 /nfs/dbraw/zinc/91/37/64/1023913764.db2.gz YEENGUDAPDSJSM-OAHLLOKOSA-N 0 1 301.434 3.712 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cn3ccccc3n2)cc1 ZINC000268743104 1024150125 /nfs/dbraw/zinc/15/01/25/1024150125.db2.gz TUTJLTXFLDSRPU-HNNXBMFYSA-N 0 1 308.429 3.641 20 10 DHCDMN COc1ccc(OC)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268785067 1024161265 /nfs/dbraw/zinc/16/12/65/1024161265.db2.gz ZQSSMXNFGGKSSP-CQSZACIVSA-N 0 1 314.429 3.621 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268858287 1024179222 /nfs/dbraw/zinc/17/92/22/1024179222.db2.gz IWYRSBLVXODXJU-INIZCTEOSA-N 0 1 322.456 3.950 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000268899521 1024191635 /nfs/dbraw/zinc/19/16/35/1024191635.db2.gz LWVNIEZPAVMXPV-INIZCTEOSA-N 0 1 322.456 3.950 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1Cl ZINC000825922138 1033192203 /nfs/dbraw/zinc/19/22/03/1033192203.db2.gz JKCWSGKYQNYTRO-MRXNPFEDSA-N 0 1 305.805 3.567 20 10 DHCDMN CCn1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000790450251 1024304126 /nfs/dbraw/zinc/30/41/26/1024304126.db2.gz IBFTXXKCBLZPBW-UHFFFAOYSA-N 0 1 316.445 3.849 20 10 DHCDMN COCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CC[C@H](C)C1 ZINC000790476862 1024308293 /nfs/dbraw/zinc/30/82/93/1024308293.db2.gz FDVWZHALFPJFEF-GOEBONIOSA-N 0 1 314.429 3.577 20 10 DHCDMN COCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CC[C@H](C)C1 ZINC000790476862 1024308305 /nfs/dbraw/zinc/30/83/05/1024308305.db2.gz FDVWZHALFPJFEF-GOEBONIOSA-N 0 1 314.429 3.577 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000270113838 1024352750 /nfs/dbraw/zinc/35/27/50/1024352750.db2.gz NKLSYNADNVLEJK-WSVYEEACSA-N 0 1 323.845 3.634 20 10 DHCDMN C[NH+](C)CCc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000790992990 1024413636 /nfs/dbraw/zinc/41/36/36/1024413636.db2.gz SAHDFURCYJDQTJ-UHFFFAOYSA-N 0 1 322.811 3.901 20 10 DHCDMN CCOc1ccc(CNCc2c(Cl)cccc2OC)c(O)c1 ZINC000790994987 1024416570 /nfs/dbraw/zinc/41/65/70/1024416570.db2.gz CYLAOQPTFJBCEO-UHFFFAOYSA-N 0 1 321.804 3.743 20 10 DHCDMN C[C@H](N[C@@H](C)C(F)F)c1cc(Br)cc(F)c1O ZINC000883399192 1024428236 /nfs/dbraw/zinc/42/82/36/1024428236.db2.gz GOYJPUNRKMQDOC-WDSKDSINSA-N 0 1 312.129 3.598 20 10 DHCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC001320419080 1024443687 /nfs/dbraw/zinc/44/36/87/1024443687.db2.gz BQKXFTVKENIOSR-QWRGUYRKSA-N 0 1 313.825 3.817 20 10 DHCDMN COc1cc(O)c(CN2CCc3sccc3[C@H]2C)cc1OC ZINC000271114129 1024457440 /nfs/dbraw/zinc/45/74/40/1024457440.db2.gz VRFKMSRTCVBSNN-LLVKDONJSA-N 0 1 319.426 3.590 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1c1ccccc1 ZINC000792168913 1024640844 /nfs/dbraw/zinc/64/08/44/1024640844.db2.gz GSTUPSBHFDVVIM-OAHLLOKOSA-N 0 1 321.779 3.758 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](CCO)c1ccccc1 ZINC000792165855 1024641442 /nfs/dbraw/zinc/64/14/42/1024641442.db2.gz LQDCYPXYQNCBKM-OAHLLOKOSA-N 0 1 323.795 3.740 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231129 1024945483 /nfs/dbraw/zinc/94/54/83/1024945483.db2.gz LBSHKBYRJIVZOH-PWSUYJOCSA-N 0 1 304.331 3.664 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000793231129 1024945492 /nfs/dbraw/zinc/94/54/92/1024945492.db2.gz LBSHKBYRJIVZOH-PWSUYJOCSA-N 0 1 304.331 3.664 20 10 DHCDMN CCn1nccc1C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000279379592 1025022780 /nfs/dbraw/zinc/02/27/80/1025022780.db2.gz IYWKRNZYMSUJLY-UHFFFAOYSA-N 0 1 319.836 3.642 20 10 DHCDMN COc1ncc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1Cl ZINC000793525237 1025074789 /nfs/dbraw/zinc/07/47/89/1025074789.db2.gz KCLAAMKAKLIXEC-LLVKDONJSA-N 0 1 318.804 3.529 20 10 DHCDMN C[C@H]1CN(Cc2ccc(Br)cc2O)CCC1(F)F ZINC000825944316 1033260562 /nfs/dbraw/zinc/26/05/62/1033260562.db2.gz SXZHRAZAAUGSBL-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@H]1c1cccnc1 ZINC000793573406 1025126904 /nfs/dbraw/zinc/12/69/04/1025126904.db2.gz NHTDGAFRIIISON-IBGZPJMESA-N 0 1 308.425 3.859 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2COc3ccccc32)cc1Cl ZINC000825943952 1033269188 /nfs/dbraw/zinc/26/91/88/1033269188.db2.gz NUNDODATKRHXMB-CYBMUJFWSA-N 0 1 303.789 3.620 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008523 1025437165 /nfs/dbraw/zinc/43/71/65/1025437165.db2.gz OPNDKYWPYOMSHL-APWZRJJASA-N 0 1 301.430 3.563 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CCCC1 ZINC000886008523 1025437169 /nfs/dbraw/zinc/43/71/69/1025437169.db2.gz OPNDKYWPYOMSHL-APWZRJJASA-N 0 1 301.430 3.563 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1Cl ZINC000825955177 1033283988 /nfs/dbraw/zinc/28/39/88/1033283988.db2.gz HNGMHTKYQBWRSF-UONOGXRCSA-N 0 1 301.764 3.831 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1Cl ZINC000825955177 1033283995 /nfs/dbraw/zinc/28/39/95/1033283995.db2.gz HNGMHTKYQBWRSF-UONOGXRCSA-N 0 1 301.764 3.831 20 10 DHCDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1c(O)cccc1F ZINC000886585779 1025721892 /nfs/dbraw/zinc/72/18/92/1025721892.db2.gz FQNHQZWASRHEOO-NSHDSACASA-N 0 1 306.356 3.905 20 10 DHCDMN Cc1occc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835942 1026128737 /nfs/dbraw/zinc/12/87/37/1026128737.db2.gz NIMRVMANBZDTKP-UHFFFAOYSA-N 0 1 300.141 3.530 20 10 DHCDMN Cc1cc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807837461 1026132403 /nfs/dbraw/zinc/13/24/03/1026132403.db2.gz QUZAGVNWXFUEEZ-UHFFFAOYSA-N 0 1 314.168 3.839 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccncc2)c1O ZINC000289826528 1026188686 /nfs/dbraw/zinc/18/86/86/1026188686.db2.gz OKYHZVTWUFMQBS-HNNXBMFYSA-N 0 1 318.804 3.786 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)N[C@H](CCO)c2ccco2)c1O ZINC000808715311 1026362337 /nfs/dbraw/zinc/36/23/37/1026362337.db2.gz TZFBIUFWBCFTQT-SMDDNHRTSA-N 0 1 309.793 3.721 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000808716462 1026364988 /nfs/dbraw/zinc/36/49/88/1026364988.db2.gz OACOIFAGDGIDDL-CYBMUJFWSA-N 0 1 323.864 3.947 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1[O-] ZINC000808729358 1026383301 /nfs/dbraw/zinc/38/33/01/1026383301.db2.gz ZAUZJIWPGUBFLR-YGRLFVJLSA-N 0 1 321.779 3.839 20 10 DHCDMN Clc1ccnc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000924899392 1026465264 /nfs/dbraw/zinc/46/52/64/1026465264.db2.gz FCMLZZAKPMLDPT-MRXNPFEDSA-N 0 1 314.816 3.837 20 10 DHCDMN Cc1cc(Cl)cc(CNc2cnccc2-n2cccn2)c1O ZINC000809632189 1026578576 /nfs/dbraw/zinc/57/85/76/1026578576.db2.gz NCTPWYBLZSCFGY-UHFFFAOYSA-N 0 1 314.776 3.547 20 10 DHCDMN CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000809655356 1026583333 /nfs/dbraw/zinc/58/33/33/1026583333.db2.gz IPNJSONZWUEZPQ-QGZVFWFLSA-N 0 1 319.832 3.895 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000809728652 1026595434 /nfs/dbraw/zinc/59/54/34/1026595434.db2.gz DQAQSCJYDKROEB-HNNXBMFYSA-N 0 1 306.768 3.917 20 10 DHCDMN CC[C@H](NCc1nncn1-c1ccccc1)c1ccc(C)cc1O ZINC000280223042 1026616946 /nfs/dbraw/zinc/61/69/46/1026616946.db2.gz UXSVOGZSBSSTFY-KRWDZBQOSA-N 0 1 322.412 3.522 20 10 DHCDMN CCCOc1ccc(C[N@H+]2CCC[C@](C)(OC)CC2)c(O)c1 ZINC000280388908 1026642803 /nfs/dbraw/zinc/64/28/03/1026642803.db2.gz WRUJCSPEUFZLSN-SFHVURJKSA-N 0 1 307.434 3.572 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)OCCc2sccc21 ZINC000810170137 1026691729 /nfs/dbraw/zinc/69/17/29/1026691729.db2.gz FSSAMYZDZNBOBN-INIZCTEOSA-N 0 1 323.845 3.685 20 10 DHCDMN CC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217226 1026709918 /nfs/dbraw/zinc/70/99/18/1026709918.db2.gz YXXVRNXMWGYTQL-TZMCWYRMSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234619 1026717166 /nfs/dbraw/zinc/71/71/66/1026717166.db2.gz FHGJQSLTNDPWBZ-NRUUGDAUSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241880 1026728163 /nfs/dbraw/zinc/72/81/63/1026728163.db2.gz ZXBBWOKCTKMWMZ-CYBMUJFWSA-N 0 1 317.351 3.757 20 10 DHCDMN CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000810248869 1026729805 /nfs/dbraw/zinc/72/98/05/1026729805.db2.gz HNSZSWHVAJTNDC-AWEZNQCLSA-N 0 1 319.836 3.748 20 10 DHCDMN Oc1ccc(F)cc1CN1CC(Cc2ccccc2Cl)C1 ZINC000813331091 1027609486 /nfs/dbraw/zinc/60/94/86/1027609486.db2.gz FDOHWDBSGPKCTI-UHFFFAOYSA-N 0 1 305.780 3.859 20 10 DHCDMN CC(C)(C)/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684425 1027696445 /nfs/dbraw/zinc/69/64/45/1027696445.db2.gz QJJRUIKPDZGNSV-SNAWJCMRSA-N 0 1 302.201 3.918 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876931 1027746930 /nfs/dbraw/zinc/74/69/30/1027746930.db2.gz DTNNKOZACMZYLR-YGRLFVJLSA-N 0 1 319.276 3.937 20 10 DHCDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779009027 1027771917 /nfs/dbraw/zinc/77/19/17/1027771917.db2.gz HZAJEWXRPGWDIO-INIZCTEOSA-N 0 1 301.361 3.877 20 10 DHCDMN Cc1csc(C2(N[C@@H]3CCc4cccc(O)c43)CCC2)n1 ZINC000296986676 1027772805 /nfs/dbraw/zinc/77/28/05/1027772805.db2.gz SEQUZAJVZAFJFJ-CYBMUJFWSA-N 0 1 300.427 3.813 20 10 DHCDMN C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015110 1027818092 /nfs/dbraw/zinc/81/80/92/1027818092.db2.gz MYYBRUAYDAYNPL-HOTGVXAUSA-N 0 1 303.446 3.952 20 10 DHCDMN C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015110 1027818116 /nfs/dbraw/zinc/81/81/16/1027818116.db2.gz MYYBRUAYDAYNPL-HOTGVXAUSA-N 0 1 303.446 3.952 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000528003403 1028029202 /nfs/dbraw/zinc/02/92/02/1028029202.db2.gz SESVYJFRPBWLIK-WFASDCNBSA-N 0 1 308.853 3.713 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CCC[C@H]2c2cc(C)on2)c1 ZINC000368046117 1028286619 /nfs/dbraw/zinc/28/66/19/1028286619.db2.gz YOFHHVCOFXQUST-LRDDRELGSA-N 0 1 302.374 3.595 20 10 DHCDMN COC1(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)CCC1 ZINC000815070471 1028350214 /nfs/dbraw/zinc/35/02/14/1028350214.db2.gz QVFQWSJUHRCMCN-UHFFFAOYSA-N 0 1 315.413 3.947 20 10 DHCDMN CCN(C)c1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000815107556 1028378312 /nfs/dbraw/zinc/37/83/12/1028378312.db2.gz QQPMWOQOPFKTNQ-IBGZPJMESA-N 0 1 312.461 3.603 20 10 DHCDMN Oc1ccccc1[C@H](CCc1ccccc1)NCc1cocn1 ZINC000815606040 1028581615 /nfs/dbraw/zinc/58/16/15/1028581615.db2.gz MBFSRPBVPLBSHA-SFHVURJKSA-N 0 1 308.381 3.844 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651483 1028595864 /nfs/dbraw/zinc/59/58/64/1028595864.db2.gz UVGPQVURASQCJO-HIFRSBDPSA-N 0 1 317.351 3.877 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccncc2OC)cc1 ZINC000189564004 1028613701 /nfs/dbraw/zinc/61/37/01/1028613701.db2.gz NQOJCYMIUIPBAO-OAHLLOKOSA-N 0 1 313.445 3.787 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1O ZINC000816495438 1028895990 /nfs/dbraw/zinc/89/59/90/1028895990.db2.gz WXBHDYPUNPFXLJ-UHFFFAOYSA-N 0 1 323.392 3.892 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1O ZINC000816495438 1028896005 /nfs/dbraw/zinc/89/60/05/1028896005.db2.gz WXBHDYPUNPFXLJ-UHFFFAOYSA-N 0 1 323.392 3.892 20 10 DHCDMN CCc1nc(CN(C)Cc2cc(Cl)c(F)cc2O)cs1 ZINC000816497165 1028897655 /nfs/dbraw/zinc/89/76/55/1028897655.db2.gz OWZGKVMGUJTMSO-UHFFFAOYSA-N 0 1 314.813 3.836 20 10 DHCDMN Cn1ncc(CN(Cc2ccccc2O)C2CCCC2)c1Cl ZINC000816508026 1028913180 /nfs/dbraw/zinc/91/31/80/1028913180.db2.gz ACESQAPGYBSYGY-UHFFFAOYSA-N 0 1 319.836 3.724 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000816515646 1028916961 /nfs/dbraw/zinc/91/69/61/1028916961.db2.gz GJZULHHPQGPRKW-INIZCTEOSA-N 0 1 321.779 3.758 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCOC2(CCCCC2)C1 ZINC000816515763 1028918423 /nfs/dbraw/zinc/91/84/23/1028918423.db2.gz KJAYORJESRRKLV-UHFFFAOYSA-N 0 1 313.800 3.720 20 10 DHCDMN [O-]c1c(C[NH2+]CCCOCC(F)(F)F)ccc2ccccc21 ZINC000816534221 1028924170 /nfs/dbraw/zinc/92/41/70/1028924170.db2.gz BBJAXQONUQLRHE-UHFFFAOYSA-N 0 1 313.319 3.604 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2cccc3c2OCCO3)ccc2ccccc21 ZINC000816528143 1028935234 /nfs/dbraw/zinc/93/52/34/1028935234.db2.gz OBXPFKHBAPHEJW-UHFFFAOYSA-N 0 1 321.376 3.606 20 10 DHCDMN CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554053 1028941803 /nfs/dbraw/zinc/94/18/03/1028941803.db2.gz NRLWFCUVWFTTDW-UHFFFAOYSA-N 0 1 315.413 3.757 20 10 DHCDMN CCc1noc(CC)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557939 1028942056 /nfs/dbraw/zinc/94/20/56/1028942056.db2.gz HGDHPZXVQRMOIY-UHFFFAOYSA-N 0 1 310.397 3.948 20 10 DHCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccsc1 ZINC000816552792 1028943152 /nfs/dbraw/zinc/94/31/52/1028943152.db2.gz XFLNDNMRFUNUNQ-GOSISDBHSA-N 0 1 313.422 3.604 20 10 DHCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccs1 ZINC000816552671 1028943173 /nfs/dbraw/zinc/94/31/73/1028943173.db2.gz SGKUMCFTMXXRQD-GOSISDBHSA-N 0 1 313.422 3.604 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000816560661 1028945592 /nfs/dbraw/zinc/94/55/92/1028945592.db2.gz WUBZGRFVLGPRIY-HNNXBMFYSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](O)CCc2ccccc2)ccc2ccccc21 ZINC000816569042 1028949611 /nfs/dbraw/zinc/94/96/11/1028949611.db2.gz XGOQNYUWTWLTSX-IBGZPJMESA-N 0 1 321.420 3.629 20 10 DHCDMN C[C@@](O)(CC[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816574746 1028953723 /nfs/dbraw/zinc/95/37/23/1028953723.db2.gz QTYHLLYVAYLOAB-OAQYLSRUSA-N 0 1 321.420 3.933 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000816614082 1028964983 /nfs/dbraw/zinc/96/49/83/1028964983.db2.gz MIFPCLDBJVDPMG-HKUYNNGSSA-N 0 1 311.425 3.935 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000816614082 1028964993 /nfs/dbraw/zinc/96/49/93/1028964993.db2.gz MIFPCLDBJVDPMG-HKUYNNGSSA-N 0 1 311.425 3.935 20 10 DHCDMN COc1cc2c(cc1Cl)CN(Cc1cccc(C)c1O)CC2 ZINC000816664933 1028983535 /nfs/dbraw/zinc/98/35/35/1028983535.db2.gz KZIIULGRPIQITB-UHFFFAOYSA-N 0 1 317.816 3.921 20 10 DHCDMN CCc1cc(NCc2cc(Cl)cc(Cl)c2O)nn1C ZINC000817709009 1029240110 /nfs/dbraw/zinc/24/01/10/1029240110.db2.gz NITBECOTUKPWCK-UHFFFAOYSA-N 0 1 300.189 3.607 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959424 1029299974 /nfs/dbraw/zinc/29/99/74/1029299974.db2.gz REMFYFNMXMUJNE-VXGBXAGGSA-N 0 1 305.249 3.723 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3c2CCOC3)c(Cl)c1 ZINC000865723854 1029990846 /nfs/dbraw/zinc/99/08/46/1029990846.db2.gz BQKSRMFVAFODQC-UHFFFAOYSA-N 0 1 317.816 3.717 20 10 DHCDMN F[C@H]1COc2ccccc2[C@@H]1NCCCSc1nccs1 ZINC000866270187 1030193056 /nfs/dbraw/zinc/19/30/56/1030193056.db2.gz SYTLQUXBQLZINW-JSGCOSHPSA-N 0 1 324.446 3.687 20 10 DHCDMN COC(C)(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000866505215 1030330578 /nfs/dbraw/zinc/33/05/78/1030330578.db2.gz VRMTUJORBUQESM-JTQLQIEISA-N 0 1 316.239 3.620 20 10 DHCDMN Cc1nc([C@@H](C)NCc2ccc(N(C)C)cc2C)c(C)s1 ZINC000772878424 1030464395 /nfs/dbraw/zinc/46/43/95/1030464395.db2.gz KPUBLFNOLAZTDL-GFCCVEGCSA-N 0 1 303.475 3.985 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000824856095 1030653968 /nfs/dbraw/zinc/65/39/68/1030653968.db2.gz SOCOBJUMMSEMJM-QGZVFWFLSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000824856095 1030653973 /nfs/dbraw/zinc/65/39/73/1030653973.db2.gz SOCOBJUMMSEMJM-QGZVFWFLSA-N 0 1 309.837 3.747 20 10 DHCDMN COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1OC ZINC000825125045 1030732360 /nfs/dbraw/zinc/73/23/60/1030732360.db2.gz DQDCUXBZZCOETO-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN COc1nc(C)cc(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825205490 1030746282 /nfs/dbraw/zinc/74/62/82/1030746282.db2.gz PXSYDRADEHXUBZ-UHFFFAOYSA-N 0 1 320.820 3.664 20 10 DHCDMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000248499650 1030751013 /nfs/dbraw/zinc/75/10/13/1030751013.db2.gz MZAUMMKSDFRHRV-DRWCTHJISA-N 0 1 319.404 3.854 20 10 DHCDMN Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297331 1030768295 /nfs/dbraw/zinc/76/82/95/1030768295.db2.gz AZXOLZORRQSCKC-SNVBAGLBSA-N 0 1 308.809 3.680 20 10 DHCDMN Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825406722 1030802776 /nfs/dbraw/zinc/80/27/76/1030802776.db2.gz YFCMTVGSDBEEAM-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN Cc1cc(O)c(CN2CCC[C@H](OC(F)F)C2)cc1Cl ZINC000825480079 1030834639 /nfs/dbraw/zinc/83/46/39/1030834639.db2.gz YHWCPPONCVVMKO-NSHDSACASA-N 0 1 305.752 3.558 20 10 DHCDMN Cc1cc(O)c(CN2CCC[C@@H](OC(F)F)C2)cc1Cl ZINC000825480075 1030835996 /nfs/dbraw/zinc/83/59/96/1030835996.db2.gz YHWCPPONCVVMKO-LLVKDONJSA-N 0 1 305.752 3.558 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC2(CCC2)C1 ZINC000843891347 1030885240 /nfs/dbraw/zinc/88/52/40/1030885240.db2.gz YJAZHQLOXSOKSD-UHFFFAOYSA-N 0 1 314.212 3.896 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[O-] ZINC000926934595 1031006514 /nfs/dbraw/zinc/00/65/14/1031006514.db2.gz HFICZTXAFODVHI-COMQUAJESA-N 0 1 307.821 3.596 20 10 DHCDMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927112715 1031096677 /nfs/dbraw/zinc/09/66/77/1031096677.db2.gz QFFDDCGCJACPNU-GOSISDBHSA-N 0 1 312.461 3.604 20 10 DHCDMN CCc1noc(C)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000292926823 1031254748 /nfs/dbraw/zinc/25/47/48/1031254748.db2.gz IRWBSSOPIXKQHU-UHFFFAOYSA-N 0 1 313.445 3.826 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000844920881 1031400756 /nfs/dbraw/zinc/40/07/56/1031400756.db2.gz NTZOWIWHAPFSIP-RISCZKNCSA-N 0 1 302.805 3.733 20 10 DHCDMN CCC(CC)[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144306439 1031452201 /nfs/dbraw/zinc/45/22/01/1031452201.db2.gz BRRNMGFLSBGACT-UHFFFAOYSA-N 0 1 304.203 3.914 20 10 DHCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])C[C@H]1CC1(C)C ZINC001144306637 1031456288 /nfs/dbraw/zinc/45/62/88/1031456288.db2.gz KHIMKVUEVVZKRD-SNVBAGLBSA-N 0 1 316.214 3.772 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)ccc(F)c1F ZINC000872260085 1031564710 /nfs/dbraw/zinc/56/47/10/1031564710.db2.gz OIXUARIJTJATAD-CQSZACIVSA-N 0 1 311.372 3.594 20 10 DHCDMN CCCc1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000293872245 1031669349 /nfs/dbraw/zinc/66/93/49/1031669349.db2.gz YHNOYOXRZZUIOD-CYBMUJFWSA-N 0 1 301.434 3.852 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000873184135 1031745453 /nfs/dbraw/zinc/74/54/53/1031745453.db2.gz CXFJSVCSVLEDKG-GFCCVEGCSA-N 0 1 317.364 3.651 20 10 DHCDMN Cc1nn(-c2cccc(C)c2)cc1CN(C)Cc1ccccc1O ZINC000845906035 1031769330 /nfs/dbraw/zinc/76/93/30/1031769330.db2.gz NCGUEIQGDFRUII-UHFFFAOYSA-N 0 1 321.424 3.827 20 10 DHCDMN Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@@H](C)O)c(Cl)c1 ZINC000846014903 1031809049 /nfs/dbraw/zinc/80/90/49/1031809049.db2.gz UTMQKXBTBHYPMA-DIFFPNOSSA-N 0 1 323.795 3.705 20 10 DHCDMN COc1cccc([C@H](C)NC2(c3ccccc3F)CC2)c1O ZINC000846161238 1031890504 /nfs/dbraw/zinc/89/05/04/1031890504.db2.gz CRSPCMCUIVSMIS-LBPRGKRZSA-N 0 1 301.361 3.880 20 10 DHCDMN COc1cccc([C@@H](C)NC2(c3ccccc3F)CC2)c1O ZINC000846161234 1031891650 /nfs/dbraw/zinc/89/16/50/1031891650.db2.gz CRSPCMCUIVSMIS-GFCCVEGCSA-N 0 1 301.361 3.880 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898072208 1031944225 /nfs/dbraw/zinc/94/42/25/1031944225.db2.gz ZYVKKTASXIBXJC-LLVKDONJSA-N 0 1 308.834 3.567 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877824983 1033477146 /nfs/dbraw/zinc/47/71/46/1033477146.db2.gz WAMJWXRBTODBDI-CABZTGNLSA-N 0 1 323.742 3.587 20 10 DHCDMN CC[N@H+](Cc1ccccc1[O-])C1CCC2(CCOCC2)CC1 ZINC001173050653 1033513877 /nfs/dbraw/zinc/51/38/77/1033513877.db2.gz DPNQZWOAZDXVPM-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN CC[N@@H+](Cc1ccccc1[O-])C1CCC2(CCOCC2)CC1 ZINC001173050653 1033513887 /nfs/dbraw/zinc/51/38/87/1033513887.db2.gz DPNQZWOAZDXVPM-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN CC[C@](C)(NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000174502380 1033938834 /nfs/dbraw/zinc/93/88/34/1033938834.db2.gz RMZHETGUYDUNJM-KRWDZBQOSA-N 0 1 303.475 3.933 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516953 1034080713 /nfs/dbraw/zinc/08/07/13/1034080713.db2.gz ZEWDDDPVLBAHFQ-UKRRQHHQSA-N 0 1 309.837 3.684 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COCc3ccccc32)cc1Cl ZINC000826131304 1034157789 /nfs/dbraw/zinc/15/77/89/1034157789.db2.gz RANIWNYCPHNMPI-MRXNPFEDSA-N 0 1 303.789 3.715 20 10 DHCDMN Oc1c(F)c(F)ccc1CNc1ccc(-n2ccnc2)c(F)c1 ZINC000864025127 1034263662 /nfs/dbraw/zinc/26/36/62/1034263662.db2.gz DSMJZISQWJXWJK-UHFFFAOYSA-N 0 1 319.286 3.607 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1[O-] ZINC000179704764 1034327728 /nfs/dbraw/zinc/32/77/28/1034327728.db2.gz VOCHHDBBNHEEQD-UHFFFAOYSA-N 0 1 317.335 3.652 20 10 DHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@](C)(OC)C3)c2c1 ZINC000794656495 1034332342 /nfs/dbraw/zinc/33/23/42/1034332342.db2.gz MNLQFRXASGMKEZ-LJQANCHMSA-N 0 1 315.413 3.555 20 10 DHCDMN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185501207 1034550334 /nfs/dbraw/zinc/55/03/34/1034550334.db2.gz KIAAKSXOPVQQNN-NXEZZACHSA-N 0 1 308.809 3.932 20 10 DHCDMN CCCCn1cc(C[NH2+]Cc2c([O-])cccc2Cl)c(C)n1 ZINC000773409727 1034618015 /nfs/dbraw/zinc/61/80/15/1034618015.db2.gz NGGMNROVVQRZHD-UHFFFAOYSA-N 0 1 307.825 3.640 20 10 DHCDMN Cc1cccc(OCC[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC001177112902 1035351275 /nfs/dbraw/zinc/35/12/75/1035351275.db2.gz ZTKHZTINVOCLHK-UHFFFAOYSA-N 0 1 305.805 3.831 20 10 DHCDMN CCN(C)c1ccc(CNC(C)(C)c2nc(C)cs2)cc1 ZINC000773773477 1035449593 /nfs/dbraw/zinc/44/95/93/1035449593.db2.gz MGEHEYBRXMRDKV-UHFFFAOYSA-N 0 1 303.475 3.933 20 10 DHCDMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC001179958400 1035562862 /nfs/dbraw/zinc/56/28/62/1035562862.db2.gz ZNGPGHSFFAXTKP-GDBMZVCRSA-N 0 1 315.816 3.820 20 10 DHCDMN CC(C)(C)C1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)CC1 ZINC001193589119 1035669204 /nfs/dbraw/zinc/66/92/04/1035669204.db2.gz DCFNZKHHYLDHJK-UHFFFAOYSA-N 0 1 311.809 3.650 20 10 DHCDMN O=C(N[C@@H]1CCCc2ccccc21)c1cc(O)c(O)c(Cl)c1 ZINC001193589728 1035672763 /nfs/dbraw/zinc/67/27/63/1035672763.db2.gz OVMJURVDTMMCOO-CQSZACIVSA-N 0 1 317.772 3.559 20 10 DHCDMN O=C(Nc1csc2cnccc12)c1cc(O)c(O)c(Cl)c1 ZINC001193606145 1035688827 /nfs/dbraw/zinc/68/88/27/1035688827.db2.gz UPACLFMYBXWQOV-UHFFFAOYSA-N 0 1 320.757 3.613 20 10 DHCDMN COc1ccccc1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001180557354 1035717784 /nfs/dbraw/zinc/71/77/84/1035717784.db2.gz CTZGOGUCGMFLHF-UHFFFAOYSA-N 0 1 319.351 3.844 20 10 DHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC(C)(C)CC(=O)OCC ZINC001181185000 1035858415 /nfs/dbraw/zinc/85/84/15/1035858415.db2.gz MWSLZTUYZCVNNN-UHFFFAOYSA-N 0 1 321.461 3.974 20 10 DHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC(C)(C)CC(=O)OCC ZINC001181185000 1035858437 /nfs/dbraw/zinc/85/84/37/1035858437.db2.gz MWSLZTUYZCVNNN-UHFFFAOYSA-N 0 1 321.461 3.974 20 10 DHCDMN CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001181361303 1035899506 /nfs/dbraw/zinc/89/95/06/1035899506.db2.gz OKTUSLWWOKLLGX-KRWDZBQOSA-N 0 1 319.832 3.895 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001181526227 1035934730 /nfs/dbraw/zinc/93/47/30/1035934730.db2.gz VKYNBMIHMBVCCT-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001181526227 1035934735 /nfs/dbraw/zinc/93/47/35/1035934735.db2.gz VKYNBMIHMBVCCT-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN COc1cccc2c1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001181817917 1036001222 /nfs/dbraw/zinc/00/12/22/1036001222.db2.gz CSGVKNOGUBOJAH-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN COc1cccc2c1C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001181817917 1036001242 /nfs/dbraw/zinc/00/12/42/1036001242.db2.gz CSGVKNOGUBOJAH-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN CCN(CC)c1ccc(CNCc2scnc2C)cc1F ZINC000152196098 1036239948 /nfs/dbraw/zinc/23/99/48/1036239948.db2.gz DDVGZHGXJMFBDC-UHFFFAOYSA-N 0 1 307.438 3.727 20 10 DHCDMN COc1ccc(SCC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001182685301 1036423189 /nfs/dbraw/zinc/42/31/89/1036423189.db2.gz QVMKJMUHINWXCQ-UHFFFAOYSA-N 0 1 323.845 3.936 20 10 DHCDMN C[C@@]1(C[NH3+])CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206540471 1036438270 /nfs/dbraw/zinc/43/82/70/1036438270.db2.gz BSAOHSQYMJKPJX-HNNXBMFYSA-N 0 1 317.260 3.650 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000775717281 1036535420 /nfs/dbraw/zinc/53/54/20/1036535420.db2.gz AAGYEBXNAMTARX-UHFFFAOYSA-N 0 1 313.800 3.720 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000775717281 1036535428 /nfs/dbraw/zinc/53/54/28/1036535428.db2.gz AAGYEBXNAMTARX-UHFFFAOYSA-N 0 1 313.800 3.720 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCOC[C@H]1c1ccccc1 ZINC000775726789 1036576490 /nfs/dbraw/zinc/57/64/90/1036576490.db2.gz XJABQLGWXVAVBQ-INIZCTEOSA-N 0 1 303.789 3.619 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1Cl ZINC001183822776 1036688365 /nfs/dbraw/zinc/68/83/65/1036688365.db2.gz MDIVDKXIYQBCRK-AWEZNQCLSA-N 0 1 309.837 3.793 20 10 DHCDMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833820 1036987980 /nfs/dbraw/zinc/98/79/80/1036987980.db2.gz MVYGMWVDJUXYTH-CHWSQXEVSA-N 0 1 316.401 3.544 20 10 DHCDMN CCc1nc(C)c(CN(C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001203244173 1037143213 /nfs/dbraw/zinc/14/32/13/1037143213.db2.gz SVTBSMLBTGRFEQ-UHFFFAOYSA-N 0 1 312.461 3.513 20 10 DHCDMN Oc1ccc(Cl)cc1CNCc1ccn(-c2ccccc2)n1 ZINC000776094570 1037426938 /nfs/dbraw/zinc/42/69/38/1037426938.db2.gz QSQMGXYKJHWINA-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717002493 1037570630 /nfs/dbraw/zinc/57/06/30/1037570630.db2.gz QSEVMHUHLOIOIG-SRVKXCTJSA-N 0 1 310.235 3.681 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717002488 1037571290 /nfs/dbraw/zinc/57/12/90/1037571290.db2.gz QSEVMHUHLOIOIG-QJPTWQEYSA-N 0 1 310.235 3.681 20 10 DHCDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000775130563 1037657191 /nfs/dbraw/zinc/65/71/91/1037657191.db2.gz LYFSTHLOKHVEGA-JTQLQIEISA-N 0 1 306.749 3.805 20 10 DHCDMN CCCN(Cc1cccc(Cl)c1[O-])c1ccc(C[NH3+])cc1 ZINC000775140213 1037704309 /nfs/dbraw/zinc/70/43/09/1037704309.db2.gz KVKIYJFVEZILJO-UHFFFAOYSA-N 0 1 304.821 3.921 20 10 DHCDMN Clc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000916856925 1037998566 /nfs/dbraw/zinc/99/85/66/1037998566.db2.gz SQTXBXMFUJIWTE-UHFFFAOYSA-N 0 1 313.788 3.720 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccc(Cl)cn2)cc1 ZINC000776254993 1038072911 /nfs/dbraw/zinc/07/29/11/1038072911.db2.gz RXGWTBPCIIKEBC-UHFFFAOYSA-N 0 1 303.837 3.871 20 10 DHCDMN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000775373294 1038295088 /nfs/dbraw/zinc/29/50/88/1038295088.db2.gz BPMRQGAQKDYIEM-MRXNPFEDSA-N 0 1 313.825 3.503 20 10 DHCDMN CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)ccc1[O-] ZINC000775489900 1038564497 /nfs/dbraw/zinc/56/44/97/1038564497.db2.gz TXWQFUBIFZMQDZ-ZDUSSCGKSA-N 0 1 321.833 3.996 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775493302 1038575898 /nfs/dbraw/zinc/57/58/98/1038575898.db2.gz XABMPBRSQFPRJM-CQSZACIVSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775499641 1038582213 /nfs/dbraw/zinc/58/22/13/1038582213.db2.gz LJVWVJJENWXGDM-OAHLLOKOSA-N 0 1 307.825 3.637 20 10 DHCDMN CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512304 1038604749 /nfs/dbraw/zinc/60/47/49/1038604749.db2.gz IXUPVSHEZIDLJC-SZMVWBNQSA-N 0 1 317.816 3.745 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775514245 1038604764 /nfs/dbraw/zinc/60/47/64/1038604764.db2.gz STNKKCVBHQQZQS-LRDDRELGSA-N 0 1 323.820 3.531 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1[O-] ZINC000775522716 1038633488 /nfs/dbraw/zinc/63/34/88/1038633488.db2.gz YMVCSTBJLBIRHV-ZIAGYGMSSA-N 0 1 305.809 3.887 20 10 DHCDMN CC[C@@](C)(NCc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000079443618 185172033 /nfs/dbraw/zinc/17/20/33/185172033.db2.gz CGLHBFNWILFCFP-MRXNPFEDSA-N 0 1 322.405 3.605 20 10 DHCDMN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000271552622 129933897 /nfs/dbraw/zinc/93/38/97/129933897.db2.gz WDDHSWADTILOHH-CYBMUJFWSA-N 0 1 316.424 3.698 20 10 DHCDMN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000273591947 130142563 /nfs/dbraw/zinc/14/25/63/130142563.db2.gz PNMUSEUQCYDHKO-DYVFJYSZSA-N 0 1 311.381 3.831 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H]2CCc3cccc(O)c32)o1 ZINC000297861676 132037707 /nfs/dbraw/zinc/03/77/07/132037707.db2.gz UEHBYKVZNVMTDU-HUUCEWRRSA-N 0 1 301.386 3.512 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C2CC2)c1[O-] ZINC000179688588 333154435 /nfs/dbraw/zinc/15/44/35/333154435.db2.gz DGEUFQQOBMUMOC-GOSISDBHSA-N 0 1 313.372 3.975 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000184673398 333363815 /nfs/dbraw/zinc/36/38/15/333363815.db2.gz VZKFYUINZBYEBR-SNVBAGLBSA-N 0 1 323.742 3.829 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000373370267 336958210 /nfs/dbraw/zinc/95/82/10/336958210.db2.gz POWKBAYIPGBFCF-IRXDYDNUSA-N 0 1 309.837 3.649 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2ncoc2-c2ccccc2)c1 ZINC000376310030 337031101 /nfs/dbraw/zinc/03/11/01/337031101.db2.gz XIIWMVZCOINEGF-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000376952907 337044066 /nfs/dbraw/zinc/04/40/66/337044066.db2.gz BVKDNUXEFZQFQA-NVGCLXPQSA-N 0 1 317.816 3.917 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@H]2COc3cccc(Cl)c32)c1 ZINC000377883748 337063345 /nfs/dbraw/zinc/06/33/45/337063345.db2.gz KVWYFUPPTQLBCI-YGRLFVJLSA-N 0 1 319.788 3.839 20 10 DHCDMN CC[C@@H](N[C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339180 337191411 /nfs/dbraw/zinc/19/14/11/337191411.db2.gz DLODATFYCJUOHX-RHSMWYFYSA-N 0 1 322.412 3.775 20 10 DHCDMN Cc1nc([C@H](N[C@@H](C)c2cc(C)ccc2O)c2ccccc2)n[nH]1 ZINC000185324327 337205144 /nfs/dbraw/zinc/20/51/44/337205144.db2.gz PHTWMGYRCBXIHW-SCLBCKFNSA-N 0 1 322.412 3.567 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1 ZINC000191126371 522211533 /nfs/dbraw/zinc/21/15/33/522211533.db2.gz QFQIUQCEPCADKY-KRWDZBQOSA-N 0 1 300.377 3.505 20 10 DHCDMN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000129902319 524844011 /nfs/dbraw/zinc/84/40/11/524844011.db2.gz GBCBRKOHUUHCCL-YVEFUNNKSA-N 0 1 305.805 3.647 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc(C2CC2)o1 ZINC000181508557 526326318 /nfs/dbraw/zinc/32/63/18/526326318.db2.gz BHWCDIHWEKXYCT-UHFFFAOYSA-N 0 1 300.145 3.572 20 10 DHCDMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000155242858 1013322257 /nfs/dbraw/zinc/32/22/57/1013322257.db2.gz OUISNHLUPAUCAX-UHFFFAOYSA-N 0 1 312.461 3.649 20 10 DHCDMN Cc1nc2c(o1)CCC[C@H]2NCCCSc1nccs1 ZINC000925101313 1013739384 /nfs/dbraw/zinc/73/93/84/1013739384.db2.gz GVBYLLFTDRARNM-LLVKDONJSA-N 0 1 309.460 3.589 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1OC(F)F ZINC000083551648 1013985772 /nfs/dbraw/zinc/98/57/72/1013985772.db2.gz DVWDZOYZHNEGHU-UHFFFAOYSA-N 0 1 313.731 3.937 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)SC)c1cc(Br)ccc1[O-] ZINC000136162714 1025385243 /nfs/dbraw/zinc/38/52/43/1025385243.db2.gz SRTCWVRMTHUJIV-SKDRFNHKSA-N 0 1 318.280 3.947 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCOc2ccccc2C1 ZINC000322387446 1032093507 /nfs/dbraw/zinc/09/35/07/1032093507.db2.gz PTQCDJFAHZHKKQ-UHFFFAOYSA-N 0 1 305.377 3.940 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000706858342 1014655058 /nfs/dbraw/zinc/65/50/58/1014655058.db2.gz UGYWRAMDFGSGPU-UTUOFQBUSA-N 0 1 310.235 3.681 20 10 DHCDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595408390 980998394 /nfs/dbraw/zinc/99/83/94/980998394.db2.gz JXSVSUMWHGQHIR-AAEUAGOBSA-N 0 1 318.392 3.636 20 10 DHCDMN Oc1cccc(Br)c1CNCc1ccccc1F ZINC000706884870 1014702593 /nfs/dbraw/zinc/70/25/93/1014702593.db2.gz KLHOPBXOEIVVAO-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1ccccc1F ZINC000706884870 1014702606 /nfs/dbraw/zinc/70/26/06/1014702606.db2.gz KLHOPBXOEIVVAO-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN COc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1C ZINC000276244331 1014892302 /nfs/dbraw/zinc/89/23/02/1014892302.db2.gz VAQCPPZEMYWEQB-INIZCTEOSA-N 0 1 301.361 3.756 20 10 DHCDMN COc1ccc(CN(C)[C@H](C)c2ccccc2F)c(O)c1OC ZINC000891593316 1015421961 /nfs/dbraw/zinc/42/19/61/1015421961.db2.gz WTIBTGBMNRPELE-GFCCVEGCSA-N 0 1 319.376 3.742 20 10 DHCDMN COc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c(O)c1OC ZINC000891618106 1015448630 /nfs/dbraw/zinc/44/86/30/1015448630.db2.gz NJUIDWHAQTUQQJ-CQSZACIVSA-N 0 1 319.426 3.808 20 10 DHCDMN Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c(O)c1 ZINC000896527859 1015612811 /nfs/dbraw/zinc/61/28/11/1015612811.db2.gz IILPRKZYXXPYDQ-CQSZACIVSA-N 0 1 302.443 3.612 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1Cl ZINC000896607990 1015677274 /nfs/dbraw/zinc/67/72/74/1015677274.db2.gz BYNQUVQCPKYXIQ-QGZVFWFLSA-N 0 1 302.805 3.990 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1nc2c(s1)CCCC2 ZINC000896824643 1015760535 /nfs/dbraw/zinc/76/05/35/1015760535.db2.gz LDBFLNKHAZABKH-UHFFFAOYSA-N 0 1 315.486 3.686 20 10 DHCDMN Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000184940516 1016454051 /nfs/dbraw/zinc/45/40/51/1016454051.db2.gz SRANVRQQBLVGQR-ZDUSSCGKSA-N 0 1 323.440 3.789 20 10 DHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000230300059 1039768774 /nfs/dbraw/zinc/76/87/74/1039768774.db2.gz OVSYDXQJFYLABN-CQSZACIVSA-N 0 1 304.217 3.700 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CC)OC)c1cc(Br)ccc1[O-] ZINC000386591515 1016879433 /nfs/dbraw/zinc/87/94/33/1016879433.db2.gz JMDIKYQWYSCQST-WCQYABFASA-N 0 1 316.239 3.620 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897082527 1017035964 /nfs/dbraw/zinc/03/59/64/1017035964.db2.gz UCPMPEXMORYCEU-GUYCJALGSA-N 0 1 309.837 3.649 20 10 DHCDMN CCCOc1ccc(CNCc2cc(F)cnc2Cl)c(O)c1 ZINC000295061808 1032262118 /nfs/dbraw/zinc/26/21/18/1032262118.db2.gz GRBYBELIQZTEBZ-UHFFFAOYSA-N 0 1 324.783 3.658 20 10 DHCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1)OCO2 ZINC000054569570 1032415184 /nfs/dbraw/zinc/41/51/84/1032415184.db2.gz NFMUXZQDBCFVLH-HNNXBMFYSA-N 0 1 315.344 3.597 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185652368 1017080273 /nfs/dbraw/zinc/08/02/73/1017080273.db2.gz AKZNWZBZBYTWRF-QAPCUYQASA-N 0 1 321.420 3.972 20 10 DHCDMN COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000757658095 1032630941 /nfs/dbraw/zinc/63/09/41/1032630941.db2.gz VYQQCCJCEYWVMH-OCCSQVGLSA-N 0 1 323.820 3.937 20 10 DHCDMN CCCOc1ccc(CN(C)Cc2cnc(C)s2)c(O)c1 ZINC000179383244 1012971360 /nfs/dbraw/zinc/97/13/60/1012971360.db2.gz DVYUVMYMKPKQAD-UHFFFAOYSA-N 0 1 306.431 3.578 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000840858430 1017204998 /nfs/dbraw/zinc/20/49/98/1017204998.db2.gz ABEPVPQCFWKHCQ-FXPVBKGRSA-N 0 1 316.264 3.699 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716252353 1032692160 /nfs/dbraw/zinc/69/21/60/1032692160.db2.gz FTJFRJJGAHSUBV-UHFFFAOYSA-N 0 1 317.816 3.883 20 10 DHCDMN COc1cccc2c1CCN(Cc1c(O)cccc1Cl)C2 ZINC000783594075 1017400372 /nfs/dbraw/zinc/40/03/72/1017400372.db2.gz BOZFIYBLQZQISD-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN COc1cc(C)cc(CNC2(c3nccs3)CCCC2)c1O ZINC000764125431 1018163216 /nfs/dbraw/zinc/16/32/16/1018163216.db2.gz KFLVDCYJOOQXAZ-UHFFFAOYSA-N 0 1 318.442 3.725 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278216927 1018378203 /nfs/dbraw/zinc/37/82/03/1018378203.db2.gz LCUCWYSFLQNRAA-GFCCVEGCSA-N 0 1 316.357 3.502 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000825754041 1032765923 /nfs/dbraw/zinc/76/59/23/1032765923.db2.gz YSCSZYNBYCPHAH-SECBINFHSA-N 0 1 320.177 3.680 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC000715712544 1018952334 /nfs/dbraw/zinc/95/23/34/1018952334.db2.gz LTBCSRAJMKTZKE-ZJUUUORDSA-N 0 1 316.214 3.914 20 10 DHCDMN CCc1onc(C)c1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000922982716 1018956095 /nfs/dbraw/zinc/95/60/95/1018956095.db2.gz FCMAMJBVTWTXSY-UHFFFAOYSA-N 0 1 319.424 3.821 20 10 DHCDMN Cc1cc(O)c(CN(C)Cc2cnc(C(C)C)nc2)cc1Cl ZINC000825774581 1032811813 /nfs/dbraw/zinc/81/18/13/1032811813.db2.gz YSVYVDJAJKNBFF-UHFFFAOYSA-N 0 1 319.836 3.899 20 10 DHCDMN CC[C@H](NCc1ccc2c(c1)CCCO2)c1c(C)noc1C ZINC000921937156 1019160020 /nfs/dbraw/zinc/16/00/20/1019160020.db2.gz XOKSNQQHTUEZID-INIZCTEOSA-N 0 1 300.402 3.857 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccns2)cc1F ZINC000858316664 1032842273 /nfs/dbraw/zinc/84/22/73/1032842273.db2.gz GHVCJNBXCOIZPK-LBPRGKRZSA-N 0 1 307.438 3.979 20 10 DHCDMN CN(Cc1ccccc1O)Cc1ccc(Br)cc1F ZINC000731843422 1020157232 /nfs/dbraw/zinc/15/72/32/1020157232.db2.gz FGJNIEWCSSHZBH-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CN(C)c1ccc(CNCc2scnc2C2CC2)cc1F ZINC000785442719 1020357726 /nfs/dbraw/zinc/35/77/26/1020357726.db2.gz TYHRHASFKUOGPL-UHFFFAOYSA-N 0 1 305.422 3.515 20 10 DHCDMN COc1cccc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001140730224 1020422336 /nfs/dbraw/zinc/42/23/36/1020422336.db2.gz BNKIVLBOUFVUGA-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN CCCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]cnc21 ZINC000282471974 1020568779 /nfs/dbraw/zinc/56/87/79/1020568779.db2.gz KTPAOVGNRYIXMV-UHFFFAOYSA-N 0 1 323.396 3.711 20 10 DHCDMN CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000735678621 1020758568 /nfs/dbraw/zinc/75/85/68/1020758568.db2.gz YETNKKIZFZXQKH-LRDDRELGSA-N 0 1 311.853 3.977 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCCO1 ZINC000738158573 1020863214 /nfs/dbraw/zinc/86/32/14/1020863214.db2.gz MPCZPLROZQCBKU-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCCO1 ZINC000738158573 1020863218 /nfs/dbraw/zinc/86/32/18/1020863218.db2.gz MPCZPLROZQCBKU-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN CCc1cc(CNCc2cc(-c3ccccc3)ccc2O)on1 ZINC000741258997 1020996100 /nfs/dbraw/zinc/99/61/00/1020996100.db2.gz UZMJDMUCETUSQO-UHFFFAOYSA-N 0 1 308.381 3.899 20 10 DHCDMN Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)cc(Cl)c1O)N2 ZINC000917421748 1021263643 /nfs/dbraw/zinc/26/36/43/1021263643.db2.gz ZPVGUWXBDLGJCN-AWEZNQCLSA-N 0 1 323.179 3.862 20 10 DHCDMN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)CO1 ZINC000743409060 1021288816 /nfs/dbraw/zinc/28/88/16/1021288816.db2.gz QYTFQLHUZICXEW-MGPUTAFESA-N 0 1 323.436 3.843 20 10 DHCDMN CCN(CC)c1ccc(CNCc2nc(C)c(C)s2)cc1 ZINC000743499601 1021306695 /nfs/dbraw/zinc/30/66/95/1021306695.db2.gz ZFMSXVCVFQBMSF-UHFFFAOYSA-N 0 1 303.475 3.896 20 10 DHCDMN COc1cc(CNCc2ccc(F)cn2)c(O)c(C(C)(C)C)c1 ZINC000850191404 1021435197 /nfs/dbraw/zinc/43/51/97/1021435197.db2.gz BAKYWHNRBCAHBV-UHFFFAOYSA-N 0 1 318.392 3.522 20 10 DHCDMN COc1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1C ZINC000850416643 1021522729 /nfs/dbraw/zinc/52/27/29/1021522729.db2.gz MURPYOCKYSZGAL-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000850520964 1021574976 /nfs/dbraw/zinc/57/49/76/1021574976.db2.gz KOCWSGLYXIGRNH-IAQYHMDHSA-N 0 1 307.340 3.620 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000850525130 1021577392 /nfs/dbraw/zinc/57/73/92/1021577392.db2.gz GVKLUSMOWZXULJ-GLZQIGESSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(Cl)cc1[O-] ZINC000850531874 1021584193 /nfs/dbraw/zinc/58/41/93/1021584193.db2.gz IHVMZNWBLLJHCU-FZQKWOKYSA-N 0 1 317.763 3.511 20 10 DHCDMN Cc1cncc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000850549226 1021597280 /nfs/dbraw/zinc/59/72/80/1021597280.db2.gz FGLHSUFWUAALJQ-AWEZNQCLSA-N 0 1 307.397 3.537 20 10 DHCDMN Cc1cncc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000850549234 1021598120 /nfs/dbraw/zinc/59/81/20/1021598120.db2.gz FGLHSUFWUAALJQ-CQSZACIVSA-N 0 1 307.397 3.537 20 10 DHCDMN CCOc1cccc(CN[C@H](C)c2c(F)cccc2F)c1O ZINC000378923934 1021622190 /nfs/dbraw/zinc/62/21/90/1021622190.db2.gz ZZHZDEPHYDTDSD-LLVKDONJSA-N 0 1 307.340 3.920 20 10 DHCDMN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850585203 1021625036 /nfs/dbraw/zinc/62/50/36/1021625036.db2.gz WYPNYXCFUBYWPI-XWCIJXRUSA-N 0 1 305.805 3.818 20 10 DHCDMN CCCOC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237123669 1021703366 /nfs/dbraw/zinc/70/33/66/1021703366.db2.gz FJDCQMZODYQTFS-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN Cc1ccc(CNCc2ccc(N3CCCCC3)cc2)nc1C ZINC000314316925 1021753270 /nfs/dbraw/zinc/75/32/70/1021753270.db2.gz RNDOXGSUHRXONY-UHFFFAOYSA-N 0 1 309.457 3.979 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(Cl)ccc1[O-] ZINC000756379905 1022167409 /nfs/dbraw/zinc/16/74/09/1022167409.db2.gz RLEOEWBUJFAJGE-SMDDNHRTSA-N 0 1 303.789 3.700 20 10 DHCDMN CC[C@]1(C)CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC001169340916 1022361517 /nfs/dbraw/zinc/36/15/17/1022361517.db2.gz BYPZEHLJPUVNBU-HXUWFJFHSA-N 0 1 316.489 3.986 20 10 DHCDMN C[C@H](NCc1coc(-c2cccs2)n1)c1ccccc1O ZINC000179883084 1022574267 /nfs/dbraw/zinc/57/42/67/1022574267.db2.gz FEORLJKHMKHQIG-NSHDSACASA-N 0 1 300.383 3.960 20 10 DHCDMN C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691441821 1022692457 /nfs/dbraw/zinc/69/24/57/1022692457.db2.gz BIGCEURXLRVFST-NSHDSACASA-N 0 1 324.218 3.859 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768168165 1022909941 /nfs/dbraw/zinc/90/99/41/1022909941.db2.gz ARGWASUZSLWMSF-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1OC ZINC000768168165 1022909949 /nfs/dbraw/zinc/90/99/49/1022909949.db2.gz ARGWASUZSLWMSF-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN C[N@H+](Cc1ccccc1F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768172163 1022914412 /nfs/dbraw/zinc/91/44/12/1022914412.db2.gz NESBLJWDNNWVOK-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN C[N@@H+](Cc1ccccc1F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768172163 1022914424 /nfs/dbraw/zinc/91/44/24/1022914424.db2.gz NESBLJWDNNWVOK-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN COc1ccc(F)c(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000857058674 1022937663 /nfs/dbraw/zinc/93/76/63/1022937663.db2.gz XWVSYXGKCUQBAK-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000768480592 1022970557 /nfs/dbraw/zinc/97/05/57/1022970557.db2.gz AYYBDVUKHNHJPR-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000768480592 1022970568 /nfs/dbraw/zinc/97/05/68/1022970568.db2.gz AYYBDVUKHNHJPR-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000781913751 1022981115 /nfs/dbraw/zinc/98/11/15/1022981115.db2.gz SZGDSIMKJARXRI-AWEZNQCLSA-N 0 1 310.235 3.838 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000768521238 1022981579 /nfs/dbraw/zinc/98/15/79/1022981579.db2.gz OGWXWFQWEVHPBV-SNVBAGLBSA-N 0 1 304.217 3.557 20 10 DHCDMN CCN(CC)c1ccc(CN(CCOC)Cc2ccco2)cc1 ZINC000768587443 1022998283 /nfs/dbraw/zinc/99/82/83/1022998283.db2.gz XFAOCEORNRKMCT-UHFFFAOYSA-N 0 1 316.445 3.774 20 10 DHCDMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914256 1023056343 /nfs/dbraw/zinc/05/63/43/1023056343.db2.gz UPPLFUDZKMDQNX-KFWWJZLASA-N 0 1 322.880 3.883 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC000769106655 1023083973 /nfs/dbraw/zinc/08/39/73/1023083973.db2.gz VWTWGKBRVNFBNL-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN COc1ccccc1CC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769333270 1023124666 /nfs/dbraw/zinc/12/46/66/1023124666.db2.gz JARFFKQQVNGRFE-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769333270 1023124671 /nfs/dbraw/zinc/12/46/71/1023124671.db2.gz JARFFKQQVNGRFE-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN CN(C)c1ccc(CN2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000769398293 1023139151 /nfs/dbraw/zinc/13/91/51/1023139151.db2.gz JJGGEQCAIOVEAX-FQEVSTJZSA-N 0 1 310.441 3.500 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000769481621 1023151795 /nfs/dbraw/zinc/15/17/95/1023151795.db2.gz WUJLOKJUTASZFW-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN Oc1ccc(Cl)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000769481621 1023151797 /nfs/dbraw/zinc/15/17/97/1023151797.db2.gz WUJLOKJUTASZFW-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000769484885 1023152374 /nfs/dbraw/zinc/15/23/74/1023152374.db2.gz WLLVTESUIZMCRD-GOSISDBHSA-N 0 1 319.832 3.910 20 10 DHCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)c1ccc(C)cc1 ZINC000769484885 1023152376 /nfs/dbraw/zinc/15/23/76/1023152376.db2.gz WLLVTESUIZMCRD-GOSISDBHSA-N 0 1 319.832 3.910 20 10 DHCDMN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769499876 1023168482 /nfs/dbraw/zinc/16/84/82/1023168482.db2.gz XFKXPFWWXGRCIE-HNNXBMFYSA-N 0 1 319.832 3.819 20 10 DHCDMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769499876 1023168490 /nfs/dbraw/zinc/16/84/90/1023168490.db2.gz XFKXPFWWXGRCIE-HNNXBMFYSA-N 0 1 319.832 3.819 20 10 DHCDMN CCOc1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1O ZINC000769508684 1023170312 /nfs/dbraw/zinc/17/03/12/1023170312.db2.gz UPABIXVUNGQLCT-MRXNPFEDSA-N 0 1 301.361 3.877 20 10 DHCDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])s1 ZINC000876716378 1033129130 /nfs/dbraw/zinc/12/91/30/1033129130.db2.gz ZEJWJANXOFVPLV-SECBINFHSA-N 0 1 312.385 3.937 20 10 DHCDMN Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778664 1033141673 /nfs/dbraw/zinc/14/16/73/1033141673.db2.gz LKAANDZDTMGVCG-SUMWQHHRSA-N 0 1 303.427 3.724 20 10 DHCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000785990022 1023648554 /nfs/dbraw/zinc/64/85/54/1023648554.db2.gz YBSBMAYPWJNAMC-BFVZDQMLSA-N 0 1 318.244 3.680 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093558689 1023774095 /nfs/dbraw/zinc/77/40/95/1023774095.db2.gz GBLNBIAKQWDEKS-VIFPVBQESA-N 0 1 318.826 3.527 20 10 DHCDMN CCn1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1=O ZINC000788605704 1023912849 /nfs/dbraw/zinc/91/28/49/1023912849.db2.gz CADSYTQMBNZZNY-CQSZACIVSA-N 0 1 322.408 3.578 20 10 DHCDMN Cc1cc(C)c([C@@H](C)Nc2cnn(-c3ccncc3)c2)c(O)c1 ZINC000788721096 1023925758 /nfs/dbraw/zinc/92/57/58/1023925758.db2.gz YBWBJACVEUETOQ-CQSZACIVSA-N 0 1 308.385 3.763 20 10 DHCDMN CSC1(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000193816627 1023975864 /nfs/dbraw/zinc/97/58/64/1023975864.db2.gz KMIQNAXLILAPBE-SECBINFHSA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000185513355 1024032076 /nfs/dbraw/zinc/03/20/76/1024032076.db2.gz XLMIRFSSAQPEFM-SJCJKPOMSA-N 0 1 313.422 3.991 20 10 DHCDMN CCc1noc(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268129317 1024073052 /nfs/dbraw/zinc/07/30/52/1024073052.db2.gz BXFKKTMXHFONPV-UHFFFAOYSA-N 0 1 313.445 3.776 20 10 DHCDMN CC(C)(C)C[C@@H](CC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000789903417 1024189171 /nfs/dbraw/zinc/18/91/71/1024189171.db2.gz JJNDIXASLGKGJL-SECBINFHSA-N 0 1 317.788 3.554 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc(Br)o2)cc1 ZINC000130673073 1024197109 /nfs/dbraw/zinc/19/71/09/1024197109.db2.gz FHOIQZMBGODVAP-UHFFFAOYSA-N 0 1 323.234 3.740 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1 ZINC000130849093 1024223114 /nfs/dbraw/zinc/22/31/14/1024223114.db2.gz YHEOSYAYSFPTEZ-CQSZACIVSA-N 0 1 312.413 3.722 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cccc3c2OCO3)cc1 ZINC000130849296 1024223886 /nfs/dbraw/zinc/22/38/86/1024223886.db2.gz YHEOSYAYSFPTEZ-AWEZNQCLSA-N 0 1 312.413 3.722 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccnc1Cl ZINC000269065852 1024235257 /nfs/dbraw/zinc/23/52/57/1024235257.db2.gz YYFXSTDNQQBIBL-ZDUSSCGKSA-N 0 1 315.848 3.968 20 10 DHCDMN COCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CC[C@H](C)C1 ZINC000790476863 1024309661 /nfs/dbraw/zinc/30/96/61/1024309661.db2.gz FDVWZHALFPJFEF-HOCLYGCPSA-N 0 1 314.429 3.577 20 10 DHCDMN COCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CC[C@H](C)C1 ZINC000790476863 1024309677 /nfs/dbraw/zinc/30/96/77/1024309677.db2.gz FDVWZHALFPJFEF-HOCLYGCPSA-N 0 1 314.429 3.577 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC001320419088 1024442578 /nfs/dbraw/zinc/44/25/78/1024442578.db2.gz BQKXFTVKENIOSR-WDEREUQCSA-N 0 1 313.825 3.817 20 10 DHCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC001320419076 1024443133 /nfs/dbraw/zinc/44/31/33/1024443133.db2.gz BQKXFTVKENIOSR-MNOVXSKESA-N 0 1 313.825 3.817 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC2(CCCCC2)C1 ZINC000792166468 1024641861 /nfs/dbraw/zinc/64/18/61/1024641861.db2.gz RLLJPFNCWUZYMK-UHFFFAOYSA-N 0 1 313.800 3.720 20 10 DHCDMN Cc1nc2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c2[nH]1 ZINC000283495871 1024676249 /nfs/dbraw/zinc/67/62/49/1024676249.db2.gz OKZNHNSBFBSRNL-UHFFFAOYSA-N 0 1 320.396 3.724 20 10 DHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000026315567 1024678391 /nfs/dbraw/zinc/67/83/91/1024678391.db2.gz ACWCDJBINSQLAK-CQSZACIVSA-N 0 1 314.429 3.621 20 10 DHCDMN C[C@H]([NH2+]CCCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000321055111 1024704597 /nfs/dbraw/zinc/70/45/97/1024704597.db2.gz WTXJVUFEXRYMTK-HNNXBMFYSA-N 0 1 309.413 3.873 20 10 DHCDMN COc1ccc(N2CCN(Cc3ccc(C)s3)CC2)c(C)c1 ZINC001204035543 1024724088 /nfs/dbraw/zinc/72/40/88/1024724088.db2.gz LFXDQSZRFOYZSR-UHFFFAOYSA-N 0 1 316.470 3.696 20 10 DHCDMN CCN(CC)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000113325261 1024796768 /nfs/dbraw/zinc/79/67/68/1024796768.db2.gz GUFHFLAOVRGZGK-UHFFFAOYSA-N 0 1 319.836 3.577 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000793214301 1024935009 /nfs/dbraw/zinc/93/50/09/1024935009.db2.gz MMKZGKQDBCTXOR-YMTOWFKASA-N 0 1 316.228 3.698 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000793214301 1024935020 /nfs/dbraw/zinc/93/50/20/1024935020.db2.gz MMKZGKQDBCTXOR-YMTOWFKASA-N 0 1 316.228 3.698 20 10 DHCDMN CSC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000793787615 1025161682 /nfs/dbraw/zinc/16/16/82/1025161682.db2.gz DIFAGXMARXHKOP-CYBMUJFWSA-N 0 1 302.443 3.515 20 10 DHCDMN CSC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000793787615 1025161712 /nfs/dbraw/zinc/16/17/12/1025161712.db2.gz DIFAGXMARXHKOP-CYBMUJFWSA-N 0 1 302.443 3.515 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2COc3ccccc32)cc1Cl ZINC000825943953 1033268489 /nfs/dbraw/zinc/26/84/89/1033268489.db2.gz NUNDODATKRHXMB-ZDUSSCGKSA-N 0 1 303.789 3.620 20 10 DHCDMN C[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805079132 1025537260 /nfs/dbraw/zinc/53/72/60/1025537260.db2.gz ABALZGVPSHLSRA-PRHODGIISA-N 0 1 317.216 3.687 20 10 DHCDMN CCC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805175755 1025549753 /nfs/dbraw/zinc/54/97/53/1025549753.db2.gz VRGFVDHGCMATRN-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOC2(CCC2)C1 ZINC000886344804 1025596134 /nfs/dbraw/zinc/59/61/34/1025596134.db2.gz LRXDTZCWBDTWHW-INIZCTEOSA-N 0 1 309.837 3.875 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841746835 1026033666 /nfs/dbraw/zinc/03/36/66/1026033666.db2.gz LMNLVJPCJCVABF-GFCCVEGCSA-N 0 1 304.821 3.962 20 10 DHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C ZINC000807840660 1026123747 /nfs/dbraw/zinc/12/37/47/1026123747.db2.gz HOFFHLUBBKBTGC-MRVPVSSYSA-N 0 1 304.217 3.997 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1Cc2ccccc21 ZINC000807838129 1026132066 /nfs/dbraw/zinc/13/20/66/1026132066.db2.gz KSQKMMIPPDRRMF-ZDUSSCGKSA-N 0 1 322.191 3.655 20 10 DHCDMN O=C(C[C@@H]1C=CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838350 1026132124 /nfs/dbraw/zinc/13/21/24/1026132124.db2.gz PNVKRGIUNFOBQH-SECBINFHSA-N 0 1 300.185 3.672 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1cccs1 ZINC000808221350 1026230848 /nfs/dbraw/zinc/23/08/48/1026230848.db2.gz FPUUIMGNSAXNAJ-INIZCTEOSA-N 0 1 317.410 3.766 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000808705926 1026358745 /nfs/dbraw/zinc/35/87/45/1026358745.db2.gz BEBVZLYMLCHWOW-CYBMUJFWSA-N 0 1 311.853 3.947 20 10 DHCDMN C[C@@H](CO)[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CCC1 ZINC000809664081 1026590121 /nfs/dbraw/zinc/59/01/21/1026590121.db2.gz AHWJOQAEMLTBTE-JTQLQIEISA-N 0 1 318.244 3.682 20 10 DHCDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000809688483 1026595862 /nfs/dbraw/zinc/59/58/62/1026595862.db2.gz KHJZBCAYQMBLCY-UHFFFAOYSA-N 0 1 320.776 3.628 20 10 DHCDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000809688483 1026595865 /nfs/dbraw/zinc/59/58/65/1026595865.db2.gz KHJZBCAYQMBLCY-UHFFFAOYSA-N 0 1 320.776 3.628 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758638 1026617416 /nfs/dbraw/zinc/61/74/16/1026617416.db2.gz SBVIQPCGXQSESQ-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758638 1026617421 /nfs/dbraw/zinc/61/74/21/1026617421.db2.gz SBVIQPCGXQSESQ-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])OCCc2sccc21 ZINC000810170184 1026692991 /nfs/dbraw/zinc/69/29/91/1026692991.db2.gz GNLKFVPRLXUVOF-MRXNPFEDSA-N 0 1 323.845 3.685 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217225 1026710286 /nfs/dbraw/zinc/71/02/86/1026710286.db2.gz YXXVRNXMWGYTQL-OCCSQVGLSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207339 1026718351 /nfs/dbraw/zinc/71/83/51/1026718351.db2.gz JSPVMAYYQMZRPA-CQSZACIVSA-N 0 1 316.367 3.546 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1[C@@H]1CCCO1 ZINC000811510320 1027026736 /nfs/dbraw/zinc/02/67/36/1027026736.db2.gz CARXCQXGIJRCOX-ZFWWWQNUSA-N 0 1 313.800 3.574 20 10 DHCDMN Cc1ccc2nc(CNCc3cc(Cl)cc(C)c3O)cn2c1 ZINC000811633725 1027045997 /nfs/dbraw/zinc/04/59/97/1027045997.db2.gz WAJDXBWMOLEBQT-UHFFFAOYSA-N 0 1 315.804 3.600 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000271706933 1027124942 /nfs/dbraw/zinc/12/49/42/1027124942.db2.gz ULWOIGKHQWMOJD-KRWDZBQOSA-N 0 1 301.361 3.975 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747831507 1027493018 /nfs/dbraw/zinc/49/30/18/1027493018.db2.gz ZVWFTXDUFZJOMX-IAGOWNOFSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747831507 1027493024 /nfs/dbraw/zinc/49/30/24/1027493024.db2.gz ZVWFTXDUFZJOMX-IAGOWNOFSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747831507 1027493027 /nfs/dbraw/zinc/49/30/27/1027493027.db2.gz ZVWFTXDUFZJOMX-IAGOWNOFSA-N 0 1 311.425 3.794 20 10 DHCDMN CCN(C)c1ccc(CNC(C)(C)c2ncc(C)s2)cc1 ZINC000773832733 1027666537 /nfs/dbraw/zinc/66/65/37/1027666537.db2.gz BFFRVGXLPYZTHH-UHFFFAOYSA-N 0 1 303.475 3.933 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000364504984 1027832318 /nfs/dbraw/zinc/83/23/18/1027832318.db2.gz PNLMXLYBKKVVQE-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN CSC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000814178937 1027915185 /nfs/dbraw/zinc/91/51/85/1027915185.db2.gz JRLRITADKCADLX-JTQLQIEISA-N 0 1 303.830 3.760 20 10 DHCDMN COc1cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c(O)cc1C ZINC000814229884 1027965085 /nfs/dbraw/zinc/96/50/85/1027965085.db2.gz GJZREZLEYRAKHX-SFHVURJKSA-N 0 1 312.413 3.687 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367436438 1028185426 /nfs/dbraw/zinc/18/54/26/1028185426.db2.gz FUBIQQOLAMMFOD-HNNXBMFYSA-N 0 1 316.228 3.702 20 10 DHCDMN C[N@H+](Cc1ccccc1O)C[C@H](O)c1cccc2ccccc21 ZINC000815070034 1028348459 /nfs/dbraw/zinc/34/84/59/1028348459.db2.gz JMVOHJJZPIIAKA-FQEVSTJZSA-N 0 1 307.393 3.711 20 10 DHCDMN CC(C)(O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000779192229 1028672437 /nfs/dbraw/zinc/67/24/37/1028672437.db2.gz MGVZMOQKHMFVMZ-UHFFFAOYSA-N 0 1 311.425 3.795 20 10 DHCDMN CCCn1c(CNCc2ccc(N(C)C)cc2)nc2ccccc21 ZINC000077290699 1028823630 /nfs/dbraw/zinc/82/36/30/1028823630.db2.gz YVRFVMZKGKQTEY-UHFFFAOYSA-N 0 1 322.456 3.802 20 10 DHCDMN Oc1c(CN2CCCC[C@@H]2c2ncc[nH]2)ccc2ccccc21 ZINC000816499322 1028904843 /nfs/dbraw/zinc/90/48/43/1028904843.db2.gz LJZGGLQHYJOLBM-QGZVFWFLSA-N 0 1 307.397 3.996 20 10 DHCDMN CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816508156 1028913236 /nfs/dbraw/zinc/91/32/36/1028913236.db2.gz DJTUYQFEYBXPIT-ZDUSSCGKSA-N 0 1 315.816 3.966 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000816515647 1028920277 /nfs/dbraw/zinc/92/02/77/1028920277.db2.gz GJZULHHPQGPRKW-MRXNPFEDSA-N 0 1 321.779 3.758 20 10 DHCDMN COc1cccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816535607 1028921771 /nfs/dbraw/zinc/92/17/71/1028921771.db2.gz UKSPIGHQQZMQKT-UHFFFAOYSA-N 0 1 307.393 3.886 20 10 DHCDMN [O-]c1c(C[NH2+]CCOc2ccccc2F)ccc2ccccc21 ZINC000816528624 1028922485 /nfs/dbraw/zinc/92/24/85/1028922485.db2.gz KOJQBEAURZQWFH-UHFFFAOYSA-N 0 1 311.356 3.853 20 10 DHCDMN CN(C)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816531497 1028922711 /nfs/dbraw/zinc/92/27/11/1028922711.db2.gz TVAOOGCLVJNNQP-UHFFFAOYSA-N 0 1 306.409 3.901 20 10 DHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC[C@@H]1C ZINC000816535332 1028924707 /nfs/dbraw/zinc/92/47/07/1028924707.db2.gz MCXXJVUQKCNKQG-JKSUJKDBSA-N 0 1 312.457 3.898 20 10 DHCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816551031 1028931257 /nfs/dbraw/zinc/93/12/57/1028931257.db2.gz MDZGLFPWAIILJP-FQEVSTJZSA-N 0 1 307.393 3.543 20 10 DHCDMN [O-]c1c(C[NH2+][C@@H](CCO)c2cccs2)ccc2ccccc12 ZINC000816552819 1028942137 /nfs/dbraw/zinc/94/21/37/1028942137.db2.gz XXUHSIAABRZZAD-INIZCTEOSA-N 0 1 313.422 3.820 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000816573893 1028951372 /nfs/dbraw/zinc/95/13/72/1028951372.db2.gz PFJPKLLSPRNYKZ-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594755 1028955101 /nfs/dbraw/zinc/95/51/01/1028955101.db2.gz OGSDGCXSWYGKJE-IONNQARKSA-N 0 1 311.706 3.957 20 10 DHCDMN CCCCN(Cc1cnn(C)c1Cl)Cc1ccccc1O ZINC000816601217 1028954558 /nfs/dbraw/zinc/95/45/58/1028954558.db2.gz VJVWOPMUSRTXQC-UHFFFAOYSA-N 0 1 307.825 3.581 20 10 DHCDMN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816601346 1028954826 /nfs/dbraw/zinc/95/48/26/1028954826.db2.gz YJKGMNBHFQINMD-FQEVSTJZSA-N 0 1 321.420 3.985 20 10 DHCDMN [O-]c1c(C[NH2+][C@@H](CCO)Cc2ccccc2)ccc2ccccc21 ZINC000816599804 1028955465 /nfs/dbraw/zinc/95/54/65/1028955465.db2.gz ZDXHEAYWGYVPPZ-IBGZPJMESA-N 0 1 321.420 3.629 20 10 DHCDMN C[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2C1 ZINC000816618161 1028962786 /nfs/dbraw/zinc/96/27/86/1028962786.db2.gz QBHHKYYWWMGQAD-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN C[N@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2C1 ZINC000816618161 1028962804 /nfs/dbraw/zinc/96/28/04/1028962804.db2.gz QBHHKYYWWMGQAD-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612999 1028964769 /nfs/dbraw/zinc/96/47/69/1028964769.db2.gz DZBJTLWJOUSMHO-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816656306 1028979773 /nfs/dbraw/zinc/97/97/73/1028979773.db2.gz NIHZCQSAOXOCEB-FQEVSTJZSA-N 0 1 323.436 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816656306 1028979793 /nfs/dbraw/zinc/97/97/93/1028979793.db2.gz NIHZCQSAOXOCEB-FQEVSTJZSA-N 0 1 323.436 3.936 20 10 DHCDMN CCN(CC)c1ccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000816665985 1028983748 /nfs/dbraw/zinc/98/37/48/1028983748.db2.gz BJSYJKAGHNZZTH-VQTJNVASSA-N 0 1 314.473 3.676 20 10 DHCDMN Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CCC2 ZINC000373254868 1028988839 /nfs/dbraw/zinc/98/88/39/1028988839.db2.gz HDUSQRWOYWURQH-STQMWFEESA-N 0 1 319.836 3.779 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959419 1029301260 /nfs/dbraw/zinc/30/12/60/1029301260.db2.gz REMFYFNMXMUJNE-NEPJUHHUSA-N 0 1 305.249 3.723 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(F)=C1CCC1 ZINC000819534134 1029580999 /nfs/dbraw/zinc/58/09/99/1029580999.db2.gz QEXODZMCWWUQCU-UHFFFAOYSA-N 0 1 304.148 3.723 20 10 DHCDMN COc1cc(Cl)cc(CN(Cc2ccccn2)C2CC2)c1O ZINC000290454587 1030057263 /nfs/dbraw/zinc/05/72/63/1030057263.db2.gz MOFALRMFXZGYHD-UHFFFAOYSA-N 0 1 318.804 3.614 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCO2 ZINC000924649360 1030148873 /nfs/dbraw/zinc/14/88/73/1030148873.db2.gz QMXUMDZLSAKEMG-OAHLLOKOSA-N 0 1 324.424 3.866 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1[O-] ZINC000866477783 1030311831 /nfs/dbraw/zinc/31/18/31/1030311831.db2.gz BSFWYOSIGVAOOB-LBPRGKRZSA-N 0 1 317.816 3.969 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000866512735 1030337067 /nfs/dbraw/zinc/33/70/67/1030337067.db2.gz OKRXSVOOTBDYCX-YVOWVQIISA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(Cl)cc1O ZINC000866568539 1030382223 /nfs/dbraw/zinc/38/22/23/1030382223.db2.gz XKMWWZQPFXJORQ-MRVPVSSYSA-N 0 1 315.751 3.568 20 10 DHCDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N(C)C)cc1 ZINC000777565306 1030409925 /nfs/dbraw/zinc/40/99/25/1030409925.db2.gz BVGNUDXZCGGWMQ-AWEZNQCLSA-N 0 1 307.401 3.506 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC(F)(F)[C@@H](C)C2)c1O ZINC000291443776 1030505395 /nfs/dbraw/zinc/50/53/95/1030505395.db2.gz CBNVFMNKJJKEKF-VIFPVBQESA-N 0 1 305.752 3.531 20 10 DHCDMN Cn1ccnc1[C@H]1N(Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824620698 1030604076 /nfs/dbraw/zinc/60/40/76/1030604076.db2.gz ZNYIAZRRMJMTAT-CQSZACIVSA-N 0 1 323.799 3.501 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824892932 1030661299 /nfs/dbraw/zinc/66/12/99/1030661299.db2.gz GCFUKBQXJVUMPR-ZBFHGGJFSA-N 0 1 321.848 3.827 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000824921083 1030673794 /nfs/dbraw/zinc/67/37/94/1030673794.db2.gz DXKJHEONZGBIMQ-XDTLVQLUSA-N 0 1 305.340 3.611 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824942077 1030677410 /nfs/dbraw/zinc/67/74/10/1030677410.db2.gz VROLLFJJLLXLGW-HOCLYGCPSA-N 0 1 307.821 3.675 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1Cl ZINC000825070819 1030717196 /nfs/dbraw/zinc/71/71/96/1030717196.db2.gz MSJPFQSWAWHUHC-UHFFFAOYSA-N 0 1 304.821 3.710 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825145204 1030733816 /nfs/dbraw/zinc/73/38/16/1030733816.db2.gz WZPUFVFKKUSMFD-UHFFFAOYSA-N 0 1 305.752 3.686 20 10 DHCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cncc(Cl)c1 ZINC001136994490 1030735573 /nfs/dbraw/zinc/73/55/73/1030735573.db2.gz YGODNFRPQQKTKX-UHFFFAOYSA-N 0 1 315.848 3.967 20 10 DHCDMN COc1cc(CN(C)Cc2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000825501448 1030827268 /nfs/dbraw/zinc/82/72/68/1030827268.db2.gz PKUWJTUNBGNCQO-UHFFFAOYSA-N 0 1 314.429 3.725 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000926765692 1030911145 /nfs/dbraw/zinc/91/11/45/1030911145.db2.gz ZOQDBGXBKWEYKB-OAHLLOKOSA-N 0 1 306.413 3.735 20 10 DHCDMN C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000844920882 1031401431 /nfs/dbraw/zinc/40/14/31/1031401431.db2.gz NTZOWIWHAPFSIP-SMDDNHRTSA-N 0 1 302.805 3.733 20 10 DHCDMN CCCN(CCC)c1ccc(C[N@@H+](C)[C@H](CC)C(=O)[O-])cc1 ZINC000844935363 1031406364 /nfs/dbraw/zinc/40/63/64/1031406364.db2.gz CLFIOWICIQUQCR-QGZVFWFLSA-N 0 1 306.450 3.608 20 10 DHCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299499 1031439497 /nfs/dbraw/zinc/43/94/97/1031439497.db2.gz YJTUCDMRRIBZJE-VIFPVBQESA-N 0 1 302.187 3.668 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261308 1031563691 /nfs/dbraw/zinc/56/36/91/1031563691.db2.gz CWYBGWKQIWLUFU-HNNXBMFYSA-N 0 1 309.837 3.969 20 10 DHCDMN Cn1cccc1C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000760401830 1031697602 /nfs/dbraw/zinc/69/76/02/1031697602.db2.gz OEWSVDQNBIRPFQ-UHFFFAOYSA-N 0 1 324.424 3.988 20 10 DHCDMN Cn1cccc1C[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000760401830 1031697609 /nfs/dbraw/zinc/69/76/09/1031697609.db2.gz OEWSVDQNBIRPFQ-UHFFFAOYSA-N 0 1 324.424 3.988 20 10 DHCDMN Cn1cccc1C[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000760401830 1031697617 /nfs/dbraw/zinc/69/76/17/1031697617.db2.gz OEWSVDQNBIRPFQ-UHFFFAOYSA-N 0 1 324.424 3.988 20 10 DHCDMN CCCOc1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000873097431 1031709859 /nfs/dbraw/zinc/70/98/59/1031709859.db2.gz QSQMZAACFMDXQM-CQSZACIVSA-N 0 1 316.449 3.876 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105812 1031879067 /nfs/dbraw/zinc/87/90/67/1031879067.db2.gz YPYMCFKEHVCBTA-ZDUSSCGKSA-N 0 1 305.727 3.806 20 10 DHCDMN COc1cccc([C@H](C)N[C@@H]2COc3ccc(Cl)cc32)c1O ZINC000846154720 1031886261 /nfs/dbraw/zinc/88/62/61/1031886261.db2.gz RLWLXFKDALVUJU-IINYFYTJSA-N 0 1 319.788 3.839 20 10 DHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000846183351 1031915831 /nfs/dbraw/zinc/91/58/31/1031915831.db2.gz IAEGNYOZKYSGIR-PMUMKWKESA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183967 1031916728 /nfs/dbraw/zinc/91/67/28/1031916728.db2.gz PRBNADHSFCIVGI-KSMMKXTCSA-N 0 1 316.420 3.664 20 10 DHCDMN Cc1ccc(C)n1-c1ccc(-c2noc(-c3c[nH]nc3C)n2)cc1 ZINC001212677810 1033318223 /nfs/dbraw/zinc/31/82/23/1033318223.db2.gz RJINRKAKQPISKU-UHFFFAOYSA-N 0 1 319.368 3.843 20 10 DHCDMN CCOc1cccc(F)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000877533698 1033339097 /nfs/dbraw/zinc/33/90/97/1033339097.db2.gz QDJCDDDQPPGRLX-LBPRGKRZSA-N 0 1 319.376 3.789 20 10 DHCDMN Oc1c(CN[C@@H](c2nccs2)C(F)(F)F)ccc(F)c1F ZINC000877648540 1033397958 /nfs/dbraw/zinc/39/79/58/1033397958.db2.gz PQPUMWDZEWIGFW-JTQLQIEISA-N 0 1 324.274 3.520 20 10 DHCDMN Oc1cccc2c1CN(Cc1ccc(OCC(F)F)cc1)C2 ZINC000877702566 1033417955 /nfs/dbraw/zinc/41/79/55/1033417955.db2.gz BULBCWGQBYDSBO-UHFFFAOYSA-N 0 1 305.324 3.552 20 10 DHCDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000863527946 1034118438 /nfs/dbraw/zinc/11/84/38/1034118438.db2.gz PAHITAPHTHISFJ-GOSISDBHSA-N 0 1 318.461 3.608 20 10 DHCDMN CCc1onc(C)c1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000927139642 1034150962 /nfs/dbraw/zinc/15/09/62/1034150962.db2.gz MYXLUARVDXFYIH-KRWDZBQOSA-N 0 1 301.434 3.852 20 10 DHCDMN Oc1c(F)c(F)ccc1CNc1cccc(Cn2cccn2)c1 ZINC000864019429 1034258842 /nfs/dbraw/zinc/25/88/42/1034258842.db2.gz ASLKOFGLFKFEPM-UHFFFAOYSA-N 0 1 315.323 3.527 20 10 DHCDMN Cc1ccc(-n2cccn2)cc1NCc1ccc(F)c(F)c1O ZINC000864032963 1034268395 /nfs/dbraw/zinc/26/83/95/1034268395.db2.gz LJYUTYAWMWOPIM-UHFFFAOYSA-N 0 1 315.323 3.777 20 10 DHCDMN COc1cc(F)c(F)cc1NCc1ccc(F)c(F)c1O ZINC000864038345 1034268857 /nfs/dbraw/zinc/26/88/57/1034268857.db2.gz OLQZUKPQAVAZBP-UHFFFAOYSA-N 0 1 301.239 3.569 20 10 DHCDMN COc1cc(NCc2ccc(F)c(F)c2O)cc2cccnc21 ZINC000864038698 1034269798 /nfs/dbraw/zinc/26/97/98/1034269798.db2.gz ROQXTHYHQAAPRF-UHFFFAOYSA-N 0 1 316.307 3.839 20 10 DHCDMN CN(C)c1cc(F)c(CN2CCC(CCF)CC2)cc1F ZINC000864051076 1034278861 /nfs/dbraw/zinc/27/88/61/1034278861.db2.gz ZYNNHHQMJOLBNW-UHFFFAOYSA-N 0 1 300.368 3.602 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)nc1 ZINC000179116277 1034286330 /nfs/dbraw/zinc/28/63/30/1034286330.db2.gz FOHSRTQJHSAXPK-NSHDSACASA-N 0 1 307.800 3.791 20 10 DHCDMN CCCOc1ccc(CN(C)Cc2scnc2C)c(O)c1 ZINC000179428780 1034305735 /nfs/dbraw/zinc/30/57/35/1034305735.db2.gz OOQYKVYONFONLN-UHFFFAOYSA-N 0 1 306.431 3.578 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](c2nccn2C)C2CC2)cc1 ZINC000183250973 1034366984 /nfs/dbraw/zinc/36/69/84/1034366984.db2.gz NQLMRIWEWOPISY-SFHVURJKSA-N 0 1 312.461 3.507 20 10 DHCDMN C[C@@H](c1cnccn1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184412168 1034471890 /nfs/dbraw/zinc/47/18/90/1034471890.db2.gz JTILBKMPDVFCIX-INIZCTEOSA-N 0 1 310.445 3.660 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000184843818 1034503273 /nfs/dbraw/zinc/50/32/73/1034503273.db2.gz SXBJOJKPKFKNKY-SNVBAGLBSA-N 0 1 305.761 3.625 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000184845395 1034504069 /nfs/dbraw/zinc/50/40/69/1034504069.db2.gz PIUKPSLFYJBRTH-QWRGUYRKSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1cccnc1 ZINC000184882888 1034506583 /nfs/dbraw/zinc/50/65/83/1034506583.db2.gz ZLIJPWWNMNLUGQ-QWRGUYRKSA-N 0 1 321.218 3.962 20 10 DHCDMN CCOCCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185070670 1034525461 /nfs/dbraw/zinc/52/54/61/1034525461.db2.gz WXHQRWOVHIOFBV-LLVKDONJSA-N 0 1 316.239 3.622 20 10 DHCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185349734 1034544192 /nfs/dbraw/zinc/54/41/92/1034544192.db2.gz XPSTUCUCUYVGRC-STQMWFEESA-N 0 1 309.413 3.999 20 10 DHCDMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426403 1034545332 /nfs/dbraw/zinc/54/53/32/1034545332.db2.gz UHCLZPDJJSXGJI-WDEREUQCSA-N 0 1 306.431 3.832 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186542937 1034642571 /nfs/dbraw/zinc/64/25/71/1034642571.db2.gz PMGPVCAYKAZQIH-YOEHRIQHSA-N 0 1 302.418 3.510 20 10 DHCDMN CC[C@H](NCc1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000186807505 1034663038 /nfs/dbraw/zinc/66/30/38/1034663038.db2.gz VNCZGBSXCMAGTC-INIZCTEOSA-N 0 1 318.417 3.936 20 10 DHCDMN CCOc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1CO ZINC000187892662 1034738771 /nfs/dbraw/zinc/73/87/71/1034738771.db2.gz MWBRHSWICFQQJA-JTQLQIEISA-N 0 1 323.339 3.735 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439570 1034742610 /nfs/dbraw/zinc/74/26/10/1034742610.db2.gz LAHZMDVQJWSNRA-OAHLLOKOSA-N 0 1 313.800 3.576 20 10 DHCDMN COC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000193280655 1034839361 /nfs/dbraw/zinc/83/93/61/1034839361.db2.gz QWNNEFJMXJFEFU-KRWDZBQOSA-N 0 1 317.816 3.752 20 10 DHCDMN CCN(C)c1ccc(CN2CCN(c3cccs3)CC2)cc1 ZINC000773766266 1035443822 /nfs/dbraw/zinc/44/38/22/1035443822.db2.gz PWCKFXRQHKWQIU-UHFFFAOYSA-N 0 1 315.486 3.526 20 10 DHCDMN CN(C)c1ccc(/C=C\CNCc2cc(F)cnc2Cl)cc1 ZINC001178827730 1035449854 /nfs/dbraw/zinc/44/98/54/1035449854.db2.gz SUIMTEMEOFSOQD-ARJAWSKDSA-N 0 1 319.811 3.743 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC001180012271 1035566207 /nfs/dbraw/zinc/56/62/07/1035566207.db2.gz ZGNAPKGNGWSTGF-UHFFFAOYSA-N 0 1 313.401 3.601 20 10 DHCDMN Oc1c(Br)cc(Cl)cc1CN1CCC=C(F)C1 ZINC001180731808 1035754316 /nfs/dbraw/zinc/75/43/16/1035754316.db2.gz DFYLGLFLWBPTJR-UHFFFAOYSA-N 0 1 320.589 3.867 20 10 DHCDMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001180820879 1035764780 /nfs/dbraw/zinc/76/47/80/1035764780.db2.gz SVMKDGMCLRXUDM-CQSZACIVSA-N 0 1 303.352 3.968 20 10 DHCDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1c([O-])ccc(F)c1F ZINC001233334982 1035928584 /nfs/dbraw/zinc/92/85/84/1035928584.db2.gz CEUCODAVILLLMA-UHFFFAOYSA-N 0 1 311.759 3.998 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001181878545 1036030065 /nfs/dbraw/zinc/03/00/65/1036030065.db2.gz CGXZZBIKPUZSHU-UHFFFAOYSA-N 0 1 316.710 3.749 20 10 DHCDMN CCCn1ccnc1CCC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205696891 1036220561 /nfs/dbraw/zinc/22/05/61/1036220561.db2.gz PZTUPUHCBPAMJV-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001205696891 1036220578 /nfs/dbraw/zinc/22/05/78/1036220578.db2.gz PZTUPUHCBPAMJV-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775658628 1036269947 /nfs/dbraw/zinc/26/99/47/1036269947.db2.gz QCBUAUVMYLBQSE-UHFFFAOYSA-N 0 1 308.784 3.990 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC001183156612 1036540793 /nfs/dbraw/zinc/54/07/93/1036540793.db2.gz OAJHGNGCSSROHU-LBPRGKRZSA-N 0 1 321.779 3.880 20 10 DHCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775735748 1036594293 /nfs/dbraw/zinc/59/42/93/1036594293.db2.gz UAPHWWVDKHKOIR-CYBMUJFWSA-N 0 1 303.830 3.758 20 10 DHCDMN Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001183971254 1036721899 /nfs/dbraw/zinc/72/18/99/1036721899.db2.gz FXYGHAOFCXREKO-GFCCVEGCSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001183971254 1036721907 /nfs/dbraw/zinc/72/19/07/1036721907.db2.gz FXYGHAOFCXREKO-GFCCVEGCSA-N 0 1 322.861 3.875 20 10 DHCDMN C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC001184154474 1036749534 /nfs/dbraw/zinc/74/95/34/1036749534.db2.gz RSKGTBAUBMPICG-UHFFFAOYSA-N 0 1 313.825 3.599 20 10 DHCDMN COc1ccc(F)cc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000237180086 1036995210 /nfs/dbraw/zinc/99/52/10/1036995210.db2.gz QAGKVTZXRRRGGM-GFCCVEGCSA-N 0 1 301.361 3.620 20 10 DHCDMN Cc1cccc(CNCc2nc3cccc(Cl)c3n2C)c1O ZINC000775983593 1037280076 /nfs/dbraw/zinc/28/00/76/1037280076.db2.gz MKCFKOYHHLWQFV-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN CCOc1ncccc1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000151182516 1037750758 /nfs/dbraw/zinc/75/07/58/1037750758.db2.gz SCUVQYIWHKHDKA-OAHLLOKOSA-N 0 1 313.445 3.787 20 10 DHCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000846016171 1037838088 /nfs/dbraw/zinc/83/80/88/1037838088.db2.gz QHNQRWYBSNNMFY-CYBMUJFWSA-N 0 1 301.789 3.574 20 10 DHCDMN COc1ccccc1C[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552006 1037866201 /nfs/dbraw/zinc/86/62/01/1037866201.db2.gz YFMZYPYXVSPXKS-LBPRGKRZSA-N 0 1 305.805 3.775 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1cccc(F)c1 ZINC000776217856 1037908017 /nfs/dbraw/zinc/90/80/17/1037908017.db2.gz BVWJOIFOVZXHCL-LLVKDONJSA-N 0 1 309.768 3.742 20 10 DHCDMN Cc1cccc(F)c1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775292395 1038194020 /nfs/dbraw/zinc/19/40/20/1038194020.db2.gz ZLQVBIPZRZKRNW-UHFFFAOYSA-N 0 1 323.389 3.566 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000164504235 1038205678 /nfs/dbraw/zinc/20/56/78/1038205678.db2.gz KNLNDFLZTNEPQT-OAHLLOKOSA-N 0 1 303.427 3.644 20 10 DHCDMN CN1CCN(c2ccc(CNc3cccc4cc[nH]c43)cc2)CC1 ZINC000775340356 1038254597 /nfs/dbraw/zinc/25/45/97/1038254597.db2.gz LWUARMOZHZPKSP-UHFFFAOYSA-N 0 1 320.440 3.532 20 10 DHCDMN CCn1c(CN[C@H](C)c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000775363287 1038274786 /nfs/dbraw/zinc/27/47/86/1038274786.db2.gz MFEJTUHGTPZMLW-OAHLLOKOSA-N 0 1 322.456 3.973 20 10 DHCDMN CCn1nc(CN[C@H](C)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000775363297 1038275190 /nfs/dbraw/zinc/27/51/90/1038275190.db2.gz MHIVCKLTMBEGNV-OAHLLOKOSA-N 0 1 322.456 3.973 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)C[Si](C)(C)c1ccccc1 ZINC001191289546 1038481037 /nfs/dbraw/zinc/48/10/37/1038481037.db2.gz PHRSADDEEZFAMZ-UHFFFAOYSA-N 0 1 313.517 3.759 20 10 DHCDMN CCC[N@H+](Cc1ccccc1[O-])C[Si](C)(C)c1ccccc1 ZINC001191289546 1038481045 /nfs/dbraw/zinc/48/10/45/1038481045.db2.gz PHRSADDEEZFAMZ-UHFFFAOYSA-N 0 1 313.517 3.759 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[Si](C)(C)c1ccccc1 ZINC001191289546 1038481051 /nfs/dbraw/zinc/48/10/51/1038481051.db2.gz PHRSADDEEZFAMZ-UHFFFAOYSA-N 0 1 313.517 3.759 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775489709 1038563380 /nfs/dbraw/zinc/56/33/80/1038563380.db2.gz QRGDYGBGNZXMDH-DOTOQJQBSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775502171 1038589808 /nfs/dbraw/zinc/58/98/08/1038589808.db2.gz PMNFYEZYHWJCRK-DOTOQJQBSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775508674 1038593323 /nfs/dbraw/zinc/59/33/23/1038593323.db2.gz DWVQIPHAWHOCPT-WXYCVUISSA-N 0 1 309.837 3.900 20 10 DHCDMN CC[C@@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775508409 1038594136 /nfs/dbraw/zinc/59/41/36/1038594136.db2.gz BPVQBLDNLZNBPN-CQSZACIVSA-N 0 1 305.809 3.593 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775513918 1038608030 /nfs/dbraw/zinc/60/80/30/1038608030.db2.gz WMOCDTNYDOEOIZ-GHJWDPDVSA-N 0 1 308.853 3.712 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775523005 1038628394 /nfs/dbraw/zinc/62/83/94/1038628394.db2.gz DBQRYBAHAHSNBL-CVEARBPZSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775522633 1038633749 /nfs/dbraw/zinc/63/37/49/1038633749.db2.gz WIXXXSZYAFOYIZ-MEBBXXQBSA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)ccc1[O-] ZINC000775522633 1038633754 /nfs/dbraw/zinc/63/37/54/1038633754.db2.gz WIXXXSZYAFOYIZ-MEBBXXQBSA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775536664 1038677319 /nfs/dbraw/zinc/67/73/19/1038677319.db2.gz MQPDUMZDZMIYCK-JQWIXIFHSA-N 0 1 311.731 3.664 20 10 DHCDMN CCC(CC)(C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(=O)OC ZINC000760883661 1038960295 /nfs/dbraw/zinc/96/02/95/1038960295.db2.gz NOBYXLSVSCAHPG-LLVKDONJSA-N 0 1 313.825 3.676 20 10 DHCDMN C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000158260168 1040192702 /nfs/dbraw/zinc/19/27/02/1040192702.db2.gz RZMBLBDFBJVUPC-MAUKXSAKSA-N 0 1 321.420 3.800 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC000761191416 1040561196 /nfs/dbraw/zinc/56/11/96/1040561196.db2.gz TZDBIOGQZNFMCG-OAHLLOKOSA-N 0 1 318.804 3.786 20 10 DHCDMN CCOCCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000019962988 182170656 /nfs/dbraw/zinc/17/06/56/182170656.db2.gz FYMXKXTXQACACA-CYBMUJFWSA-N 0 1 316.239 3.622 20 10 DHCDMN Cc1cc(O)c(CNCc2ccn(Cc3ccccc3)n2)cc1C ZINC000284123183 131051006 /nfs/dbraw/zinc/05/10/06/131051006.db2.gz UBECJJQCOXEZNQ-UHFFFAOYSA-N 0 1 321.424 3.544 20 10 DHCDMN CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000294010998 131791537 /nfs/dbraw/zinc/79/15/37/131791537.db2.gz UHNXKQABTOXYPC-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN CC[C@H](N[C@@H](C)c1nnc2n1CCCCC2)c1ccccc1O ZINC000375875148 332964951 /nfs/dbraw/zinc/96/49/51/332964951.db2.gz NPDHORUTMSUCSE-ZFWWWQNUSA-N 0 1 314.433 3.512 20 10 DHCDMN CCc1nc(C)c(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000291693395 333170722 /nfs/dbraw/zinc/17/07/22/333170722.db2.gz FWXSOQNUTHDIBP-UHFFFAOYSA-N 0 1 313.445 3.826 20 10 DHCDMN CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185605741 333370351 /nfs/dbraw/zinc/37/03/51/333370351.db2.gz OXZNEEIXSDTLSY-CABCVRRESA-N 0 1 301.430 3.995 20 10 DHCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186075356 333372090 /nfs/dbraw/zinc/37/20/90/333372090.db2.gz UUCOXDKBIOHWKT-KGLIPLIRSA-N 0 1 301.430 3.993 20 10 DHCDMN CN(C)c1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000060774025 333425315 /nfs/dbraw/zinc/42/53/15/333425315.db2.gz RMMCPKAEMCORIS-UHFFFAOYSA-N 0 1 319.792 3.604 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000277675103 334090021 /nfs/dbraw/zinc/09/00/21/334090021.db2.gz ISWZHAUJHZROQG-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN Oc1cccc(Cl)c1CNCc1ccc2c(n1)CCCC2 ZINC000277675103 334090022 /nfs/dbraw/zinc/09/00/22/334090022.db2.gz ISWZHAUJHZROQG-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN CC[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336762 336928563 /nfs/dbraw/zinc/92/85/63/336928563.db2.gz JNXBPSBBSNEQSF-KGLIPLIRSA-N 0 1 305.324 3.845 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377245382 337049290 /nfs/dbraw/zinc/04/92/90/337049290.db2.gz ZMHAMDPZCMVLEA-QWRGUYRKSA-N 0 1 316.228 3.557 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377245384 337049368 /nfs/dbraw/zinc/04/93/68/337049368.db2.gz ZMHAMDPZCMVLEA-WDEREUQCSA-N 0 1 316.228 3.557 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693880 337058750 /nfs/dbraw/zinc/05/87/50/337058750.db2.gz DCTUSPRLCRQHQN-BHYGNILZSA-N 0 1 317.454 3.613 20 10 DHCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000378129946 337066868 /nfs/dbraw/zinc/06/68/68/337066868.db2.gz MTNONHWAVDTNCB-HNNXBMFYSA-N 0 1 318.244 3.539 20 10 DHCDMN CCCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175659874 337146988 /nfs/dbraw/zinc/14/69/88/337146988.db2.gz HIQAHYBMQYIZRH-MRXNPFEDSA-N 0 1 323.408 3.515 20 10 DHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175659874 337146989 /nfs/dbraw/zinc/14/69/89/337146989.db2.gz HIQAHYBMQYIZRH-MRXNPFEDSA-N 0 1 323.408 3.515 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189960074 337284032 /nfs/dbraw/zinc/28/40/32/337284032.db2.gz YMCALRIJLMUHHO-UHFFFAOYSA-N 0 1 323.849 3.579 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccccc2)c1[O-] ZINC000267443514 518287815 /nfs/dbraw/zinc/28/78/15/518287815.db2.gz JBZNYFUTTLHSKX-UHFFFAOYSA-N 0 1 301.361 3.759 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000229564786 522741928 /nfs/dbraw/zinc/74/19/28/522741928.db2.gz WFXLDRIPPAJPIK-RNCFNFMXSA-N 0 1 324.222 3.680 20 10 DHCDMN C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c([O-])cccc1Cl ZINC000131120817 524620862 /nfs/dbraw/zinc/62/08/62/524620862.db2.gz WFJLQAPDYDKTNW-QMTHXVAHSA-N 0 1 311.834 3.709 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000190179002 526354755 /nfs/dbraw/zinc/35/47/55/526354755.db2.gz YJLNFWNBMXGSMC-HXUWFJFHSA-N 0 1 311.425 3.936 20 10 DHCDMN Cc1csc([C@H](NCc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000266143695 526439801 /nfs/dbraw/zinc/43/98/01/526439801.db2.gz HYYYGTOZTDQQKY-MRXNPFEDSA-N 0 1 301.459 3.758 20 10 DHCDMN CCOc1ccc(O)c(CNCc2c(F)cccc2SC)c1 ZINC000285555447 535752625 /nfs/dbraw/zinc/75/26/25/535752625.db2.gz MTEXBEJUQCYXOF-UHFFFAOYSA-N 0 1 321.417 3.942 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287319306 535804743 /nfs/dbraw/zinc/80/47/43/535804743.db2.gz DIEPMFUUKGWGBT-BLLLJJGKSA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@@H](N[C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864200 535808597 /nfs/dbraw/zinc/80/85/97/535808597.db2.gz NKPJJLPQIUBTFD-UKRRQHHQSA-N 0 1 314.433 3.512 20 10 DHCDMN O=C([O-])c1coc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000740270070 600318174 /nfs/dbraw/zinc/31/81/74/600318174.db2.gz WGTCLQOFJPFUOV-UHFFFAOYSA-N 0 1 315.369 3.628 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2c1nccc2Cl ZINC000925081542 1013502186 /nfs/dbraw/zinc/50/21/86/1013502186.db2.gz RGGIBKUUSLHPTJ-KRWDZBQOSA-N 0 1 315.848 3.887 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCSCC1 ZINC000709588783 1018846516 /nfs/dbraw/zinc/84/65/16/1018846516.db2.gz QRIQTPKJMGGOOR-GFCCVEGCSA-N 0 1 316.264 3.530 20 10 DHCDMN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836596 1026127969 /nfs/dbraw/zinc/12/79/69/1026127969.db2.gz GVBHPPXKUWDDEB-QWRGUYRKSA-N 0 1 302.201 3.607 20 10 DHCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000175985448 1014630294 /nfs/dbraw/zinc/63/02/94/1014630294.db2.gz WWFGMPYGINEIDU-UHFFFAOYSA-N 0 1 320.776 3.979 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cnc(Cl)s2)cc1Cl ZINC000895152787 1014640095 /nfs/dbraw/zinc/64/00/95/1014640095.db2.gz WMIBSOKPQALJFK-UHFFFAOYSA-N 0 1 303.214 3.754 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000192178632 1014710801 /nfs/dbraw/zinc/71/08/01/1014710801.db2.gz QHZXYSHNCYXRAY-JTQLQIEISA-N 0 1 313.850 3.576 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)CC2)c1[O-] ZINC000192178632 1014710818 /nfs/dbraw/zinc/71/08/18/1014710818.db2.gz QHZXYSHNCYXRAY-JTQLQIEISA-N 0 1 313.850 3.576 20 10 DHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC001595748136 982417467 /nfs/dbraw/zinc/41/74/67/982417467.db2.gz UIQWWOFVXLQRBV-SFHVURJKSA-N 0 1 313.397 3.820 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000707129664 1015086435 /nfs/dbraw/zinc/08/64/35/1015086435.db2.gz ORWUPFJJXVHIQG-VXGBXAGGSA-N 0 1 310.235 3.777 20 10 DHCDMN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000320218990 1015119624 /nfs/dbraw/zinc/11/96/24/1015119624.db2.gz SOVGDGGBXCBICU-GJZGRUSLSA-N 0 1 300.446 3.925 20 10 DHCDMN COc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000895690721 1015258589 /nfs/dbraw/zinc/25/85/89/1015258589.db2.gz KYXFUGWSSPNPQF-FUHWJXTLSA-N 0 1 301.361 3.516 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844539 1015325155 /nfs/dbraw/zinc/32/51/55/1015325155.db2.gz LXFXZOUNEJTJQM-HZMBPMFUSA-N 0 1 316.228 3.700 20 10 DHCDMN Cc1cc(C)c(O)c(CN(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000216158919 1015674789 /nfs/dbraw/zinc/67/47/89/1015674789.db2.gz ZMDPNQSTEYYOAM-UHFFFAOYSA-N 0 1 321.424 3.827 20 10 DHCDMN Cc1ccc(O)c(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1 ZINC000093637678 1015780831 /nfs/dbraw/zinc/78/08/31/1015780831.db2.gz QGJBINGLCDNEHJ-IBGZPJMESA-N 0 1 315.388 3.722 20 10 DHCDMN COc1ccc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195326 1016397342 /nfs/dbraw/zinc/39/73/42/1016397342.db2.gz PQBLHSHROFIZLJ-DYVFJYSZSA-N 0 1 313.397 3.602 20 10 DHCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775735749 1036592505 /nfs/dbraw/zinc/59/25/05/1036592505.db2.gz UAPHWWVDKHKOIR-ZDUSSCGKSA-N 0 1 303.830 3.758 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185370279 1016883662 /nfs/dbraw/zinc/88/36/62/1016883662.db2.gz VZOSCJCTCZNXGF-MAUKXSAKSA-N 0 1 321.420 3.800 20 10 DHCDMN C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185540451 1016990842 /nfs/dbraw/zinc/99/08/42/1016990842.db2.gz VNPPYSZUVWADJR-CYBMUJFWSA-N 0 1 315.413 3.928 20 10 DHCDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773038746 1032537049 /nfs/dbraw/zinc/53/70/49/1032537049.db2.gz BOHQVUKCDMGDFN-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000113315215 1018014437 /nfs/dbraw/zinc/01/44/37/1018014437.db2.gz LYNSHYDTLJZZPD-UHFFFAOYSA-N 0 1 315.804 3.575 20 10 DHCDMN Cc1csc(C2(NCc3cc4c(cc3O)CCC4)CCC2)n1 ZINC000764113830 1018157422 /nfs/dbraw/zinc/15/74/22/1018157422.db2.gz YJSDIDOCXSIIMS-UHFFFAOYSA-N 0 1 314.454 3.815 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H](C)F)c1cc(Br)ccc1[O-] ZINC000702632895 1018222265 /nfs/dbraw/zinc/22/22/65/1018222265.db2.gz KVDNIECDICWUAQ-BXKDBHETSA-N 0 1 304.203 3.944 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@H](C)F)c1cc(Br)ccc1[O-] ZINC000702632899 1018223165 /nfs/dbraw/zinc/22/31/65/1018223165.db2.gz KVDNIECDICWUAQ-JOYOIKCWSA-N 0 1 304.203 3.944 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702765123 1018239354 /nfs/dbraw/zinc/23/93/54/1018239354.db2.gz CRFMDPMFTYDABQ-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702765123 1018239364 /nfs/dbraw/zinc/23/93/64/1018239364.db2.gz CRFMDPMFTYDABQ-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000706808445 1018762804 /nfs/dbraw/zinc/76/28/04/1018762804.db2.gz PJKUJXDAHVYLHH-GFCCVEGCSA-N 0 1 318.214 3.584 20 10 DHCDMN CN(Cc1c([O-])cccc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001137841694 1018860110 /nfs/dbraw/zinc/86/01/10/1018860110.db2.gz QHPOBOQPESYRGK-UHFFFAOYSA-N 0 1 320.452 3.760 20 10 DHCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H](C)C1 ZINC000715714123 1018950308 /nfs/dbraw/zinc/95/03/08/1018950308.db2.gz VQUKDHIZYCEVRX-UWVGGRQHSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715714125 1018951798 /nfs/dbraw/zinc/95/17/98/1018951798.db2.gz VQUKDHIZYCEVRX-VHSXEESVSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715719892 1018955844 /nfs/dbraw/zinc/95/58/44/1018955844.db2.gz VOAOOJGOXKQTGD-SNVBAGLBSA-N 0 1 316.214 3.916 20 10 DHCDMN CSC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134922427 1019050856 /nfs/dbraw/zinc/05/08/56/1019050856.db2.gz YFTMHUYYQVAVSX-IUCAKERBSA-N 0 1 304.253 3.557 20 10 DHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2[O-])nc1 ZINC000858241998 1032811513 /nfs/dbraw/zinc/81/15/13/1032811513.db2.gz MFBYJMNAUVQMQX-UHFFFAOYSA-N 0 1 304.821 3.816 20 10 DHCDMN CCCCn1cc(CNCc2ccc3c(c2)CCCO3)c(C)n1 ZINC000921963936 1019225896 /nfs/dbraw/zinc/22/58/96/1019225896.db2.gz XVRQZRHSWBHKNW-UHFFFAOYSA-N 0 1 313.445 3.606 20 10 DHCDMN Cc1cnc(Cl)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000922015512 1019313280 /nfs/dbraw/zinc/31/32/80/1019313280.db2.gz QSNXOQXHIVHPDB-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091958292 1019496970 /nfs/dbraw/zinc/49/69/70/1019496970.db2.gz VTOHHIYIOVPTIC-HOCLYGCPSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091958292 1019496976 /nfs/dbraw/zinc/49/69/76/1019496976.db2.gz VTOHHIYIOVPTIC-HOCLYGCPSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783337 1032884279 /nfs/dbraw/zinc/88/42/79/1032884279.db2.gz OVFRWHCTESVHPG-KRWDZBQOSA-N 0 1 307.368 3.942 20 10 DHCDMN Cc1cccc(OCCC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733322285 1020370714 /nfs/dbraw/zinc/37/07/14/1020370714.db2.gz GIGHEXIROQTBLG-UHFFFAOYSA-N 0 1 305.805 3.913 20 10 DHCDMN Oc1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000179558649 1020406314 /nfs/dbraw/zinc/40/63/14/1020406314.db2.gz BBQHQXXYEUGRNS-HXUWFJFHSA-N 0 1 304.393 3.799 20 10 DHCDMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccccc2O)c1 ZINC000179554057 1020409128 /nfs/dbraw/zinc/40/91/28/1020409128.db2.gz YTTWYBZWEAYYKD-QGZVFWFLSA-N 0 1 313.397 3.747 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Cl)cc1[O-] ZINC000858454423 1032903791 /nfs/dbraw/zinc/90/37/91/1032903791.db2.gz FJCYYOBIJSXOFA-WBMJQRKESA-N 0 1 317.816 3.838 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1COc2c1cccc2Cl ZINC000766028074 1020481423 /nfs/dbraw/zinc/48/14/23/1020481423.db2.gz DGMXHOLLFGIHQT-KRWDZBQOSA-N 0 1 316.832 3.938 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000766030746 1020493303 /nfs/dbraw/zinc/49/33/03/1020493303.db2.gz XAKOYXTZGJRAQP-GOSISDBHSA-N 0 1 314.404 3.814 20 10 DHCDMN CN(Cc1ccc(Oc2ccccc2)nn1)Cc1ccccc1O ZINC000766248072 1020931835 /nfs/dbraw/zinc/93/18/35/1020931835.db2.gz FAVMGJIVBFMRMJ-UHFFFAOYSA-N 0 1 321.380 3.607 20 10 DHCDMN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850535778 1021072483 /nfs/dbraw/zinc/07/24/83/1021072483.db2.gz BIXGBPMSXIFOFW-QPUJVOFHSA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H]1C[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000917414812 1021258135 /nfs/dbraw/zinc/25/81/35/1021258135.db2.gz NHZAYAKIEUWCNL-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccn[nH]1 ZINC000181582862 1021260079 /nfs/dbraw/zinc/26/00/79/1021260079.db2.gz JAJUTPFORSWZIJ-CQSZACIVSA-N 0 1 321.380 3.519 20 10 DHCDMN Cc1cc(O)c(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1C ZINC000743408856 1021288876 /nfs/dbraw/zinc/28/88/76/1021288876.db2.gz OZLQBUBXEKDNAR-LPHOPBHVSA-N 0 1 311.425 3.971 20 10 DHCDMN CN(C)c1ccc(CNCc2cc(F)ccc2OC(F)F)cc1 ZINC000850010667 1021395072 /nfs/dbraw/zinc/39/50/72/1021395072.db2.gz FWTQWJNOKSQRHN-UHFFFAOYSA-N 0 1 324.346 3.783 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(F)c(F)c1F ZINC000850139763 1021424983 /nfs/dbraw/zinc/42/49/83/1021424983.db2.gz SBMHZHZRBGAGHL-UHFFFAOYSA-N 0 1 308.347 3.768 20 10 DHCDMN COCc1csc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000850377554 1021498859 /nfs/dbraw/zinc/49/88/59/1021498859.db2.gz KGQIPMDFRAYWMW-UHFFFAOYSA-N 0 1 311.834 3.852 20 10 DHCDMN CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850394901 1021507800 /nfs/dbraw/zinc/50/78/00/1021507800.db2.gz HSBWWIWVEGKJLZ-ROUUACIJSA-N 0 1 319.832 3.893 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850526435 1021580788 /nfs/dbraw/zinc/58/07/88/1021580788.db2.gz CCGGTSSVOKTVQQ-QXKQMHMISA-N 0 1 303.789 3.875 20 10 DHCDMN CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850535337 1021589899 /nfs/dbraw/zinc/58/98/99/1021589899.db2.gz VGVOTVCAZVFLFA-OAHLLOKOSA-N 0 1 319.836 3.897 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000850572499 1021614113 /nfs/dbraw/zinc/61/41/13/1021614113.db2.gz KUGMCZUMHSPECB-LXIYXOSZSA-N 0 1 319.832 3.861 20 10 DHCDMN C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000850572114 1021615384 /nfs/dbraw/zinc/61/53/84/1021615384.db2.gz BEFCEKSKCMUNAD-LBPRGKRZSA-N 0 1 324.852 3.522 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@@H](C)C1 ZINC001237087324 1021671452 /nfs/dbraw/zinc/67/14/52/1021671452.db2.gz VCYDDNRFBHROLJ-VHSXEESVSA-N 0 1 304.217 3.698 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccnc(Cl)c1 ZINC000122454715 1021716625 /nfs/dbraw/zinc/71/66/25/1021716625.db2.gz BQJKYHQQPWKNBL-NSHDSACASA-N 0 1 307.800 3.791 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCC(F)CC2)c1[O-] ZINC000852650781 1022152261 /nfs/dbraw/zinc/15/22/61/1022152261.db2.gz RFLQNVXQPQTYIT-JKDOVBDQSA-N 0 1 311.372 3.740 20 10 DHCDMN COc1cc2c(cc1F)CN(Cc1cc(C)cc(C)c1O)CC2 ZINC000776782595 1022572991 /nfs/dbraw/zinc/57/29/91/1022572991.db2.gz QYBVUTWOOVQRPE-UHFFFAOYSA-N 0 1 315.388 3.715 20 10 DHCDMN COc1ccccc1C(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000113335100 1022635121 /nfs/dbraw/zinc/63/51/21/1022635121.db2.gz HVQDEIZCXNJSAU-UHFFFAOYSA-N 0 1 316.420 3.925 20 10 DHCDMN CCOC(C[N@@H+](Cc1ccccc1O)C1CCCC1)OCC ZINC000767787458 1022811773 /nfs/dbraw/zinc/81/17/73/1022811773.db2.gz JTGSWCPAASFGBL-UHFFFAOYSA-N 0 1 307.434 3.536 20 10 DHCDMN Oc1c(Cl)cc(F)cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001237808698 1022887812 /nfs/dbraw/zinc/88/78/12/1022887812.db2.gz VYBPUFYFXYRRKY-NSHDSACASA-N 0 1 311.706 3.754 20 10 DHCDMN CCC[NH+](CCC)Cc1cc(Br)cc(OC)c1[O-] ZINC000768138550 1022904360 /nfs/dbraw/zinc/90/43/60/1022904360.db2.gz YYQVCMXLJJTPMX-UHFFFAOYSA-N 0 1 316.239 3.785 20 10 DHCDMN Oc1ccccc1CN(Cc1ccc(Cl)o1)C[C@@H]1CCCO1 ZINC000768162558 1022907950 /nfs/dbraw/zinc/90/79/50/1022907950.db2.gz QDIOEFAUXPXDAR-AWEZNQCLSA-N 0 1 321.804 3.820 20 10 DHCDMN CCOc1cncc(CN(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000857011344 1022920658 /nfs/dbraw/zinc/92/06/58/1022920658.db2.gz BTEHQWPSSBEMEL-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c2c1c(F)ccc2[O-] ZINC000768295461 1022943723 /nfs/dbraw/zinc/94/37/23/1022943723.db2.gz SJOJDYOQTHWZLM-CLMKHAMHSA-N 0 1 319.420 3.874 20 10 DHCDMN CC(C)CC[NH+](CCC(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442434 1022967582 /nfs/dbraw/zinc/96/75/82/1022967582.db2.gz WBEIDTYWDWIWAM-SFHVURJKSA-N 0 1 321.461 3.712 20 10 DHCDMN CCCN(Cc1ccccc1F)Cc1c(O)cccc1OC ZINC000768486071 1022970977 /nfs/dbraw/zinc/97/09/77/1022970977.db2.gz HBAMAIUSIZQNJX-UHFFFAOYSA-N 0 1 303.377 3.952 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914261 1023054727 /nfs/dbraw/zinc/05/47/27/1023054727.db2.gz UPPLFUDZKMDQNX-ZNMIVQPWSA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914261 1023054733 /nfs/dbraw/zinc/05/47/33/1023054733.db2.gz UPPLFUDZKMDQNX-ZNMIVQPWSA-N 0 1 322.880 3.883 20 10 DHCDMN CC[N@H+](Cc1ccccc1[O-])C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005822 1023130432 /nfs/dbraw/zinc/13/04/32/1023130432.db2.gz VBISQMFZFRKSNV-UHFFFAOYSA-N 0 1 306.450 3.625 20 10 DHCDMN CC[N@@H+](Cc1ccccc1[O-])C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005822 1023130435 /nfs/dbraw/zinc/13/04/35/1023130435.db2.gz VBISQMFZFRKSNV-UHFFFAOYSA-N 0 1 306.450 3.625 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000301719302 1033108129 /nfs/dbraw/zinc/10/81/29/1033108129.db2.gz FHODINBGEQZWDO-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000301719302 1033108139 /nfs/dbraw/zinc/10/81/39/1033108139.db2.gz FHODINBGEQZWDO-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN CCc1cnc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000756607350 1023162506 /nfs/dbraw/zinc/16/25/06/1023162506.db2.gz CSVCHJLNNQJEEB-SKDRFNHKSA-N 0 1 306.406 3.888 20 10 DHCDMN Cc1c([C@@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)cnn1C ZINC000364473699 1023221564 /nfs/dbraw/zinc/22/15/64/1023221564.db2.gz ULOMEHKWZSKEHX-AWEZNQCLSA-N 0 1 323.799 3.564 20 10 DHCDMN CCn1nc(CN(C)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000770611112 1023333047 /nfs/dbraw/zinc/33/30/47/1023333047.db2.gz KHXJAAPNIVFVSL-UHFFFAOYSA-N 0 1 322.456 3.754 20 10 DHCDMN CCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000771869531 1023477848 /nfs/dbraw/zinc/47/78/48/1023477848.db2.gz VAZXLUDPQKUWJP-UHFFFAOYSA-N 0 1 323.484 3.921 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc(C4CC4)cc3)cc2)CC1 ZINC000771872203 1023479285 /nfs/dbraw/zinc/47/92/85/1023479285.db2.gz MKMCODKIDSABQM-UHFFFAOYSA-N 0 1 321.468 3.928 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cn2ccccc2n1 ZINC000788585525 1023909969 /nfs/dbraw/zinc/90/99/69/1023909969.db2.gz VRTLMDXJQNOCID-OAHLLOKOSA-N 0 1 320.440 3.568 20 10 DHCDMN CSC1(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000193816607 1023976908 /nfs/dbraw/zinc/97/69/08/1023976908.db2.gz KMIQNAXLILAPBE-VIFPVBQESA-N 0 1 316.264 3.701 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)c2ccccc2)cc1Cl ZINC000825922137 1033192557 /nfs/dbraw/zinc/19/25/57/1033192557.db2.gz JKCWSGKYQNYTRO-INIZCTEOSA-N 0 1 305.805 3.567 20 10 DHCDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])CC(F)F ZINC000883251794 1024321057 /nfs/dbraw/zinc/32/10/57/1024321057.db2.gz CYNYWXONZLMQDV-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN COc1cccc(CN[C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883382223 1024415502 /nfs/dbraw/zinc/41/55/02/1024415502.db2.gz BRHQARAKWBTGQW-WBVHZDCISA-N 0 1 301.361 3.516 20 10 DHCDMN COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000165950785 1024441647 /nfs/dbraw/zinc/44/16/47/1024441647.db2.gz QCNMKFNLSLFEGX-CQSZACIVSA-N 0 1 314.429 3.621 20 10 DHCDMN CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000106244037 1024485428 /nfs/dbraw/zinc/48/54/28/1024485428.db2.gz QIHSEOYIMBAEOQ-UHFFFAOYSA-N 0 1 309.768 3.873 20 10 DHCDMN c1cc2c(c(CNCc3ccc(N4CCCCC4)cc3)c1)OCO2 ZINC000058065105 1024497452 /nfs/dbraw/zinc/49/74/52/1024497452.db2.gz GEXOLVWWKOOHPZ-UHFFFAOYSA-N 0 1 324.424 3.695 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000792174176 1024643523 /nfs/dbraw/zinc/64/35/23/1024643523.db2.gz RRNAQZUBSRLVAJ-CQSZACIVSA-N 0 1 313.800 3.576 20 10 DHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173967 1024644132 /nfs/dbraw/zinc/64/41/32/1024644132.db2.gz AITHJGGMEWAMON-LBPRGKRZSA-N 0 1 315.816 3.823 20 10 DHCDMN COc1cccc(CCC[N@@H+](C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686307 1024694481 /nfs/dbraw/zinc/69/44/81/1024694481.db2.gz TZBIVJCAVQCQAM-UHFFFAOYSA-N 0 1 321.367 3.744 20 10 DHCDMN Cc1occc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792927310 1024843835 /nfs/dbraw/zinc/84/38/35/1024843835.db2.gz DWVRYIYWDVFXFZ-UHFFFAOYSA-N 0 1 312.335 3.963 20 10 DHCDMN Cc1ccc(C)n1-c1ccc(-c2noc(-c3[nH]cnc3C)n2)cc1 ZINC001212668839 1033247930 /nfs/dbraw/zinc/24/79/30/1033247930.db2.gz TYLDCIXVFHQAQW-UHFFFAOYSA-N 0 1 319.368 3.843 20 10 DHCDMN CCCN(CC)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000318961957 1025122624 /nfs/dbraw/zinc/12/26/24/1025122624.db2.gz FMRQBCPMXCTDTB-OAHLLOKOSA-N 0 1 300.446 3.928 20 10 DHCDMN COc1cc(C)cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000793573489 1025124838 /nfs/dbraw/zinc/12/48/38/1025124838.db2.gz OOKYRQVUCXUGBS-SFHVURJKSA-N 0 1 312.413 3.687 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000793608000 1025127217 /nfs/dbraw/zinc/12/72/17/1025127217.db2.gz HAIWNCPQKFLDEK-KGLIPLIRSA-N 0 1 316.228 3.842 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000825939862 1033261780 /nfs/dbraw/zinc/26/17/80/1033261780.db2.gz IMHMFEHWWAGGKA-SJCJKPOMSA-N 0 1 305.805 3.566 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](C)SC)c1cc(Br)ccc1[O-] ZINC000136162834 1025386449 /nfs/dbraw/zinc/38/64/49/1025386449.db2.gz SRTCWVRMTHUJIV-JOYOIKCWSA-N 0 1 318.280 3.947 20 10 DHCDMN CC(C)(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804910279 1025503381 /nfs/dbraw/zinc/50/33/81/1025503381.db2.gz WBTLFDNUEOTCRR-UHFFFAOYSA-N 0 1 319.232 3.934 20 10 DHCDMN CC[C@@H](C)[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804984910 1025518956 /nfs/dbraw/zinc/51/89/56/1025518956.db2.gz PPPDUIHJKIKIGA-RKDXNWHRSA-N 0 1 319.232 3.933 20 10 DHCDMN CC(C)[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805189083 1025551542 /nfs/dbraw/zinc/55/15/42/1025551542.db2.gz PQBYYBIBDIYKRG-VIFPVBQESA-N 0 1 319.232 3.790 20 10 DHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000893995484 1025639554 /nfs/dbraw/zinc/63/95/54/1025639554.db2.gz LWLBQVFRGHZCBY-QGZVFWFLSA-N 0 1 319.351 3.634 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC=CCC1 ZINC000806833894 1025985548 /nfs/dbraw/zinc/98/55/48/1025985548.db2.gz OUGXXKQNULXMQK-NSHDSACASA-N 0 1 315.200 3.607 20 10 DHCDMN CCCCSCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837755 1026129749 /nfs/dbraw/zinc/12/97/49/1026129749.db2.gz CDWHKUPEPKGHDO-UHFFFAOYSA-N 0 1 322.257 3.849 20 10 DHCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807839620 1026131614 /nfs/dbraw/zinc/13/16/14/1026131614.db2.gz QHBSDNCNYZXIOL-MRVPVSSYSA-N 0 1 302.201 3.751 20 10 DHCDMN CC[C@H](CSC)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809767587 1026606158 /nfs/dbraw/zinc/60/61/58/1026606158.db2.gz OWIZJKYWQWHOAW-LLVKDONJSA-N 0 1 318.280 3.728 20 10 DHCDMN CC[C@H](N[C@@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233237 1026618240 /nfs/dbraw/zinc/61/82/40/1026618240.db2.gz VJKQBTDPXAJNEY-JSGCOSHPSA-N 0 1 302.422 3.744 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2oc(C)nc2C)cc1 ZINC000809933211 1026641988 /nfs/dbraw/zinc/64/19/88/1026641988.db2.gz VZRUHVSQNLMXRF-UHFFFAOYSA-N 0 1 301.434 3.770 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213521 1026706833 /nfs/dbraw/zinc/70/68/33/1026706833.db2.gz UQOUUKVQEWXOJR-JSGCOSHPSA-N 0 1 316.367 3.546 20 10 DHCDMN CCC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217376 1026709218 /nfs/dbraw/zinc/70/92/18/1026709218.db2.gz CFQDYJBCXCMCNU-AAEUAGOBSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218961 1026710550 /nfs/dbraw/zinc/71/05/50/1026710550.db2.gz YPPBODHCXIIOHB-DZGCQCFKSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227279 1026713189 /nfs/dbraw/zinc/71/31/89/1026713189.db2.gz VBURXGLIQCFUQV-ZDUSSCGKSA-N 0 1 313.323 3.683 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229415 1026714760 /nfs/dbraw/zinc/71/47/60/1026714760.db2.gz XKEGXDYLKZLXDV-RNCFNFMXSA-N 0 1 313.323 3.936 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238329 1026725434 /nfs/dbraw/zinc/72/54/34/1026725434.db2.gz JFKDNFDLQIFYNP-JKOKRWQUSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240166 1026726023 /nfs/dbraw/zinc/72/60/23/1026726023.db2.gz PXSBGYIEJGUHGI-RISCZKNCSA-N 0 1 319.367 3.716 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1=CCCCC1 ZINC000811528785 1027021502 /nfs/dbraw/zinc/02/15/02/1027021502.db2.gz HTKLDOMRXVCXQR-UHFFFAOYSA-N 0 1 300.185 3.816 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000271706936 1027125727 /nfs/dbraw/zinc/12/57/27/1027125727.db2.gz ULWOIGKHQWMOJD-QGZVFWFLSA-N 0 1 301.361 3.975 20 10 DHCDMN Cc1nc2sccn2c1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000271737541 1027131115 /nfs/dbraw/zinc/13/11/15/1027131115.db2.gz PHAXCDICKDAKKD-UHFFFAOYSA-N 0 1 321.833 3.695 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000295365528 1027231769 /nfs/dbraw/zinc/23/17/69/1027231769.db2.gz OCSIPCMDVQVGBQ-ZDUSSCGKSA-N 0 1 309.772 3.635 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cncs2)cc1F ZINC000158702536 1027615110 /nfs/dbraw/zinc/61/51/10/1027615110.db2.gz DQMUOIQRPCNEKV-GFCCVEGCSA-N 0 1 307.438 3.979 20 10 DHCDMN Oc1ccc(F)cc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000779018567 1027835695 /nfs/dbraw/zinc/83/56/95/1027835695.db2.gz BBTZBCUBEQWOBU-KRWDZBQOSA-N 0 1 303.402 3.821 20 10 DHCDMN COc1cccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)OC)c1 ZINC000527732911 1027852773 /nfs/dbraw/zinc/85/27/73/1027852773.db2.gz BLYOWVCXXKCJJS-QGZVFWFLSA-N 0 1 321.804 3.532 20 10 DHCDMN CCOc1ccc(CN2CC(C)(C)[C@H]2c2cccnc2)c(O)c1 ZINC000814171024 1027924024 /nfs/dbraw/zinc/92/40/24/1027924024.db2.gz HNFVFZVFEXWHHG-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN CCOc1ccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1 ZINC000814171025 1027925995 /nfs/dbraw/zinc/92/59/95/1027925995.db2.gz HNFVFZVFEXWHHG-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN Cc1ncccc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000527989383 1028014736 /nfs/dbraw/zinc/01/47/36/1028014736.db2.gz YVIUHUHLZYGGEX-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036859 1028053254 /nfs/dbraw/zinc/05/32/54/1028053254.db2.gz ZABAFHZNRGNMDE-KWBADKCTSA-N 0 1 304.340 3.965 20 10 DHCDMN CCOc1ccc(N(CC)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000814625654 1028128443 /nfs/dbraw/zinc/12/84/43/1028128443.db2.gz LIBLCGNSBSDTBD-UHFFFAOYSA-N 0 1 302.422 3.527 20 10 DHCDMN Oc1ccccc1C[N@@H+](CCC1CCOCC1)C1CCCC1 ZINC000814624281 1028129156 /nfs/dbraw/zinc/12/91/56/1028129156.db2.gz QXUHAYKTGFJRJU-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@H+](CCC1CCOCC1)C1CCCC1 ZINC000814624281 1028129166 /nfs/dbraw/zinc/12/91/66/1028129166.db2.gz QXUHAYKTGFJRJU-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](CCC1CCOCC1)C1CCCC1 ZINC000814624281 1028129174 /nfs/dbraw/zinc/12/91/74/1028129174.db2.gz QXUHAYKTGFJRJU-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235397 1028324743 /nfs/dbraw/zinc/32/47/43/1028324743.db2.gz OSXKGUOMJPTOMD-SWLSCSKDSA-N 0 1 301.361 3.932 20 10 DHCDMN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000368651083 1028390022 /nfs/dbraw/zinc/39/00/22/1028390022.db2.gz FWMLFBYDDJNUEZ-GOPGUHFVSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)C=CCC1 ZINC000935990840 1028438483 /nfs/dbraw/zinc/43/84/83/1028438483.db2.gz BFPJUKQGJSJLLP-AWEZNQCLSA-N 0 1 300.185 3.672 20 10 DHCDMN CN(Cc1conc1Cc1ccccc1)Cc1ccccc1O ZINC000816493100 1028898319 /nfs/dbraw/zinc/89/83/19/1028898319.db2.gz PCPCFMTXSLJFGT-UHFFFAOYSA-N 0 1 308.381 3.603 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCOc2ccccc2C1 ZINC000816494457 1028899206 /nfs/dbraw/zinc/89/92/06/1028899206.db2.gz MMRPYHUGXBAHNO-UHFFFAOYSA-N 0 1 307.752 3.579 20 10 DHCDMN Oc1c(CN2CCCC[C@H]2c2ncc[nH]2)ccc2ccccc21 ZINC000816499321 1028905423 /nfs/dbraw/zinc/90/54/23/1028905423.db2.gz LJZGGLQHYJOLBM-KRWDZBQOSA-N 0 1 307.397 3.996 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CCO)c1ccccc1 ZINC000816512833 1028911358 /nfs/dbraw/zinc/91/13/58/1028911358.db2.gz WLMXLAUWPBWKSN-MRXNPFEDSA-N 0 1 323.795 3.740 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516532 1028917506 /nfs/dbraw/zinc/91/75/06/1028917506.db2.gz IQFPDLXOTFKEDW-QGZVFWFLSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516532 1028917520 /nfs/dbraw/zinc/91/75/20/1028917520.db2.gz IQFPDLXOTFKEDW-QGZVFWFLSA-N 0 1 311.425 3.794 20 10 DHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC[C@H](C)C1 ZINC000816535613 1028922453 /nfs/dbraw/zinc/92/24/53/1028922453.db2.gz UMSGAQAFWZUJAA-JKSUJKDBSA-N 0 1 312.457 3.755 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2ccc3c(c2)CCO3)ccc2ccccc21 ZINC000816550320 1028928415 /nfs/dbraw/zinc/92/84/15/1028928415.db2.gz OAXYNOFWYSIHRF-UHFFFAOYSA-N 0 1 319.404 3.813 20 10 DHCDMN CC1(C)CCCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816593559 1028939701 /nfs/dbraw/zinc/93/97/01/1028939701.db2.gz WBJZMWZWBIJCMX-UHFFFAOYSA-N 0 1 312.457 3.757 20 10 DHCDMN Cc1nc2cc(NCc3cc(Cl)c(F)cc3O)ccc2n1C ZINC000816564170 1028945418 /nfs/dbraw/zinc/94/54/18/1028945418.db2.gz WXUQLDSDKFDZIZ-UHFFFAOYSA-N 0 1 319.767 3.992 20 10 DHCDMN CC(C)C[N@H+](CCN(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816610501 1028960099 /nfs/dbraw/zinc/96/00/99/1028960099.db2.gz MSDNZCMJKPHFKX-UHFFFAOYSA-N 0 1 300.446 3.565 20 10 DHCDMN CC(C)C[N@@H+](CCN(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816610501 1028960111 /nfs/dbraw/zinc/96/01/11/1028960111.db2.gz MSDNZCMJKPHFKX-UHFFFAOYSA-N 0 1 300.446 3.565 20 10 DHCDMN OC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000816637301 1028968882 /nfs/dbraw/zinc/96/88/82/1028968882.db2.gz ZEYKVEIAWJZNHP-NSHDSACASA-N 0 1 324.207 3.795 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](CO)C2CCCCC2)ccc2ccccc21 ZINC000816649904 1028974774 /nfs/dbraw/zinc/97/47/74/1028974774.db2.gz NSAIYSKRORQUKZ-SFHVURJKSA-N 0 1 313.441 3.824 20 10 DHCDMN CCCOc1ccc(CN[C@@H]2COc3cccc(F)c32)c(O)c1 ZINC000373285189 1028997166 /nfs/dbraw/zinc/99/71/66/1028997166.db2.gz OLTMGBVRQGOSHF-OAHLLOKOSA-N 0 1 317.360 3.543 20 10 DHCDMN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413276 1029152425 /nfs/dbraw/zinc/15/24/25/1029152425.db2.gz VNFLLCQQTPOTMC-HZPDHXFCSA-N 0 1 311.425 3.510 20 10 DHCDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413276 1029152431 /nfs/dbraw/zinc/15/24/31/1029152431.db2.gz VNFLLCQQTPOTMC-HZPDHXFCSA-N 0 1 311.425 3.510 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984372 1029319591 /nfs/dbraw/zinc/31/95/91/1029319591.db2.gz RKAVFDSGEQMVLF-GXFFZTMASA-N 0 1 317.260 3.882 20 10 DHCDMN COc1cccc(O)c1CNCc1ccsc1C(F)(F)F ZINC000865653640 1029962345 /nfs/dbraw/zinc/96/23/45/1029962345.db2.gz SQVNSVKHYVBYQK-UHFFFAOYSA-N 0 1 317.332 3.771 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cnn2c1CCCC2 ZINC000865709764 1029983967 /nfs/dbraw/zinc/98/39/67/1029983967.db2.gz RYGWBZOAUVXNTN-UHFFFAOYSA-N 0 1 312.200 3.844 20 10 DHCDMN CC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515050 1030569672 /nfs/dbraw/zinc/56/96/72/1030569672.db2.gz DDKDUALPRYUWFR-RISCZKNCSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824609377 1030594350 /nfs/dbraw/zinc/59/43/50/1030594350.db2.gz YOFJJMFGECSNIC-FZMZJTMJSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824609376 1030595323 /nfs/dbraw/zinc/59/53/23/1030595323.db2.gz YOFJJMFGECSNIC-BXUZGUMPSA-N 0 1 319.367 3.860 20 10 DHCDMN Cc1cccnc1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824783507 1030651695 /nfs/dbraw/zinc/65/16/95/1030651695.db2.gz OHQVIWJRCBLSGH-UHFFFAOYSA-N 0 1 306.409 3.971 20 10 DHCDMN CCCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825121822 1030727438 /nfs/dbraw/zinc/72/74/38/1030727438.db2.gz UWZYFJSRLGJZET-UHFFFAOYSA-N 0 1 320.820 3.828 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1Cl ZINC000825394491 1030798832 /nfs/dbraw/zinc/79/88/32/1030798832.db2.gz AVACWPMLEYIVSC-IAQYHMDHSA-N 0 1 309.793 3.549 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1[O-] ZINC000927101214 1031088548 /nfs/dbraw/zinc/08/85/48/1031088548.db2.gz KGMSNWIRPDSLKA-OAHLLOKOSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1[O-] ZINC000927107123 1031090699 /nfs/dbraw/zinc/09/06/99/1031090699.db2.gz CTJZOTYUAQQRGH-OAHLLOKOSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107123 1031090715 /nfs/dbraw/zinc/09/07/15/1031090715.db2.gz CTJZOTYUAQQRGH-OAHLLOKOSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144300214 1031432092 /nfs/dbraw/zinc/43/20/92/1031432092.db2.gz XNHWKHBQSKHKJJ-JTQLQIEISA-N 0 1 302.187 3.668 20 10 DHCDMN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CC(F)(F)C1 ZINC001144298940 1031438797 /nfs/dbraw/zinc/43/87/97/1031438797.db2.gz MHWLGJWABJSWMM-UHFFFAOYSA-N 0 1 324.140 3.523 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299035 1031439954 /nfs/dbraw/zinc/43/99/54/1031439954.db2.gz PKWBEFNLMVUDJD-SECBINFHSA-N 0 1 302.187 3.526 20 10 DHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306506 1031456345 /nfs/dbraw/zinc/45/63/45/1031456345.db2.gz DVWDAXPDJDRJMV-SNVBAGLBSA-N 0 1 316.214 3.916 20 10 DHCDMN CCc1noc(C)c1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000293644373 1031551232 /nfs/dbraw/zinc/55/12/32/1031551232.db2.gz HJOMLJJZIXHOSB-ZDUSSCGKSA-N 0 1 301.434 3.852 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261309 1031565475 /nfs/dbraw/zinc/56/54/75/1031565475.db2.gz CWYBGWKQIWLUFU-OAHLLOKOSA-N 0 1 309.837 3.969 20 10 DHCDMN CCCOc1ccc(CNCc2cccc(N(C)C)n2)cc1C ZINC000873097700 1031709925 /nfs/dbraw/zinc/70/99/25/1031709925.db2.gz DMXHLVYCUSYLOR-UHFFFAOYSA-N 0 1 313.445 3.535 20 10 DHCDMN CCCOc1ccc(CNCc2c(C)onc2CC)cc1C ZINC000873128208 1031718466 /nfs/dbraw/zinc/71/84/66/1031718466.db2.gz HFDJKERPINEDTG-UHFFFAOYSA-N 0 1 302.418 3.932 20 10 DHCDMN [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000873215235 1031760905 /nfs/dbraw/zinc/76/09/05/1031760905.db2.gz UDWYMCMOGXWHMU-DZGCQCFKSA-N 0 1 306.768 3.611 20 10 DHCDMN Cc1cc(O)c(CN[C@H](c2ccccc2F)[C@H](C)O)c(Cl)c1 ZINC000846014911 1031810420 /nfs/dbraw/zinc/81/04/20/1031810420.db2.gz UTMQKXBTBHYPMA-GTNSWQLSSA-N 0 1 323.795 3.705 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1OC ZINC000846056659 1031817887 /nfs/dbraw/zinc/81/78/87/1031817887.db2.gz WDWUDMCXOAZFOK-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN COc1cccc([C@@H](C)NCc2ccn(C3CCCC3)n2)c1O ZINC000846156988 1031888130 /nfs/dbraw/zinc/88/81/30/1031888130.db2.gz QWOBJRVLXPUFRQ-CYBMUJFWSA-N 0 1 315.417 3.563 20 10 DHCDMN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000846184064 1031916083 /nfs/dbraw/zinc/91/60/83/1031916083.db2.gz QICVOLVLOBVQTI-RVPKQNPDSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1F ZINC000846182414 1031917198 /nfs/dbraw/zinc/91/71/98/1031917198.db2.gz JPWHSYRWZFOIKG-WVQJBOLRSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@@H+]1C1CCCCC1 ZINC001142534308 1031955930 /nfs/dbraw/zinc/95/59/30/1031955930.db2.gz DXFDZTCZSNFNSR-ZDUSSCGKSA-N 0 1 324.415 3.509 20 10 DHCDMN C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC[N@H+]1C1CCCCC1 ZINC001142534308 1031955944 /nfs/dbraw/zinc/95/59/44/1031955944.db2.gz DXFDZTCZSNFNSR-ZDUSSCGKSA-N 0 1 324.415 3.509 20 10 DHCDMN CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612019 1033381597 /nfs/dbraw/zinc/38/15/97/1033381597.db2.gz AWMCSJPHKWNKNW-YBTHPKLGSA-N 0 1 319.769 3.858 20 10 DHCDMN Cc1ccc(CN[C@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000877612565 1033381972 /nfs/dbraw/zinc/38/19/72/1033381972.db2.gz KXIYUUVFHNUUJC-GOSISDBHSA-N 0 1 321.424 3.508 20 10 DHCDMN C[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877824115 1033473682 /nfs/dbraw/zinc/47/36/82/1033473682.db2.gz OVVLNYMMSORTJT-TVQRCGJNSA-N 0 1 323.742 3.587 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1Cl ZINC000826017827 1033570060 /nfs/dbraw/zinc/57/00/60/1033570060.db2.gz VWABGCVKSXXNHA-KRWDZBQOSA-N 0 1 321.848 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1Cl ZINC000826017827 1033570062 /nfs/dbraw/zinc/57/00/62/1033570062.db2.gz VWABGCVKSXXNHA-KRWDZBQOSA-N 0 1 321.848 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1Cl ZINC000826017827 1033570073 /nfs/dbraw/zinc/57/00/73/1033570073.db2.gz VWABGCVKSXXNHA-KRWDZBQOSA-N 0 1 321.848 3.745 20 10 DHCDMN O=C(C[NH2+][C@@H]1CCCC2(CCCCC2)C1)c1ccc([O-])c(O)c1 ZINC001173338927 1033693677 /nfs/dbraw/zinc/69/36/77/1033693677.db2.gz CPYFTTXWJVJDBZ-OAHLLOKOSA-N 0 1 317.429 3.763 20 10 DHCDMN Cc1cc(O)c(C[N@H+](C)[C@H](CO)c2ccccc2)cc1Cl ZINC000826048330 1033744863 /nfs/dbraw/zinc/74/48/63/1033744863.db2.gz HJURHCNZRSQMJY-MRXNPFEDSA-N 0 1 305.805 3.519 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1Cl ZINC000826048330 1033744877 /nfs/dbraw/zinc/74/48/77/1033744877.db2.gz HJURHCNZRSQMJY-MRXNPFEDSA-N 0 1 305.805 3.519 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](CO)c2ccccc2)cc1Cl ZINC000826048330 1033744891 /nfs/dbraw/zinc/74/48/91/1033744891.db2.gz HJURHCNZRSQMJY-MRXNPFEDSA-N 0 1 305.805 3.519 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000826049736 1033751129 /nfs/dbraw/zinc/75/11/29/1033751129.db2.gz YJJYOJTZWURZMP-DJIMGWMZSA-N 0 1 323.864 3.870 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000826049736 1033751143 /nfs/dbraw/zinc/75/11/43/1033751143.db2.gz YJJYOJTZWURZMP-DJIMGWMZSA-N 0 1 323.864 3.870 20 10 DHCDMN C[C@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@H](C)C1(F)F ZINC000863273982 1034051757 /nfs/dbraw/zinc/05/17/57/1034051757.db2.gz GKHZBCUJPNFWNU-RYUDHWBXSA-N 0 1 306.356 3.664 20 10 DHCDMN COc1cc(C)c(NCc2ccc(F)c(F)c2O)cc1OC ZINC000864017792 1034255458 /nfs/dbraw/zinc/25/54/58/1034255458.db2.gz FDVGAIXNCQFMGV-UHFFFAOYSA-N 0 1 309.312 3.608 20 10 DHCDMN Oc1c(CNc2ccc([C@@H]3CCOC3)cc2)ccc(F)c1F ZINC000864038016 1034269958 /nfs/dbraw/zinc/26/99/58/1034269958.db2.gz DSTHFMOUNOXPCI-CYBMUJFWSA-N 0 1 305.324 3.786 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](c2nccn2C)C2CC2)cc1 ZINC000183250956 1034366753 /nfs/dbraw/zinc/36/67/53/1034366753.db2.gz NQLMRIWEWOPISY-GOSISDBHSA-N 0 1 312.461 3.507 20 10 DHCDMN C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183730446 1034417139 /nfs/dbraw/zinc/41/71/39/1034417139.db2.gz MZCXMNVSRAMLET-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183730446 1034417147 /nfs/dbraw/zinc/41/71/47/1034417147.db2.gz MZCXMNVSRAMLET-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000185162207 1034533994 /nfs/dbraw/zinc/53/39/94/1034533994.db2.gz VYIOMOOTRKYWAI-QFYYESIMSA-N 0 1 309.768 3.569 20 10 DHCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185349771 1034544252 /nfs/dbraw/zinc/54/42/52/1034544252.db2.gz XPSTUCUCUYVGRC-OLZOCXBDSA-N 0 1 309.413 3.999 20 10 DHCDMN C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185475300 1034550588 /nfs/dbraw/zinc/55/05/88/1034550588.db2.gz SUHKZQUPSSCLES-XMHCIUCPSA-N 0 1 319.470 3.743 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C(C)C)cs2)c1 ZINC000185808070 1034574300 /nfs/dbraw/zinc/57/43/00/1034574300.db2.gz RPHCMLUKQPJAJM-LLVKDONJSA-N 0 1 306.431 3.832 20 10 DHCDMN CCCCN1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187676552 1034723370 /nfs/dbraw/zinc/72/33/70/1034723370.db2.gz KYLTZKJSLZSMRD-LBPRGKRZSA-N 0 1 312.404 3.586 20 10 DHCDMN CCOCc1cc(CNCc2ccc(Cl)nc2)ccc1OC ZINC001177334648 1035364544 /nfs/dbraw/zinc/36/45/44/1035364544.db2.gz VCOFVKGWMVOLAL-UHFFFAOYSA-N 0 1 320.820 3.570 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccccc3Cl)cc2)CC1 ZINC001178122899 1035412291 /nfs/dbraw/zinc/41/22/91/1035412291.db2.gz BSXXTRNIYJWFNL-UHFFFAOYSA-N 0 1 315.848 3.704 20 10 DHCDMN COc1ccc2c(c1)[C@H](NCc1ccc(OC)c(C)c1)CCO2 ZINC001178440828 1035426597 /nfs/dbraw/zinc/42/65/97/1035426597.db2.gz TWZNKKGDROMYSY-QGZVFWFLSA-N 0 1 313.397 3.626 20 10 DHCDMN C[C@@H]1c2ccccc2CCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193589085 1035668746 /nfs/dbraw/zinc/66/87/46/1035668746.db2.gz CAVXDZLFXFXFLN-SNVBAGLBSA-N 0 1 317.772 3.511 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001181526225 1035935537 /nfs/dbraw/zinc/93/55/37/1035935537.db2.gz VKYNBMIHMBVCCT-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001181526225 1035935555 /nfs/dbraw/zinc/93/55/55/1035935555.db2.gz VKYNBMIHMBVCCT-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN CCC[N@@H+](CCN1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC001181689243 1035955015 /nfs/dbraw/zinc/95/50/15/1035955015.db2.gz XBPCJNBQDBLGTR-UHFFFAOYSA-N 0 1 310.869 3.744 20 10 DHCDMN COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642832 1036160599 /nfs/dbraw/zinc/16/05/99/1036160599.db2.gz PBWAGCRLVLNHMH-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN COc1ccccc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775641517 1036161814 /nfs/dbraw/zinc/16/18/14/1036161814.db2.gz BVXJBIZJPMYWAR-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC000775647925 1036190298 /nfs/dbraw/zinc/19/02/98/1036190298.db2.gz HXMXSURLWBHGEW-INIZCTEOSA-N 0 1 321.779 3.758 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001182327332 1036225321 /nfs/dbraw/zinc/22/53/21/1036225321.db2.gz RTWFYMAARNGKMG-HNNXBMFYSA-N 0 1 315.841 3.904 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2cc(Cl)cc(C)c2O)on1 ZINC000775656064 1036251185 /nfs/dbraw/zinc/25/11/85/1036251185.db2.gz OAKZJZRYKVDNFA-AWEZNQCLSA-N 0 1 306.793 3.988 20 10 DHCDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775658935 1036268639 /nfs/dbraw/zinc/26/86/39/1036268639.db2.gz SGHFSJOIQCBWAX-GFCCVEGCSA-N 0 1 323.795 3.568 20 10 DHCDMN CCc1nc(CN(C)Cc2cc(Cl)cc(F)c2O)cs1 ZINC000775663120 1036275664 /nfs/dbraw/zinc/27/56/64/1036275664.db2.gz KCVCVXCNCDOGAZ-UHFFFAOYSA-N 0 1 314.813 3.836 20 10 DHCDMN C[C@H]1CCOCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774650721 1036630254 /nfs/dbraw/zinc/63/02/54/1036630254.db2.gz ROBOOJXTIYGECP-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@H]1CCOCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774650721 1036630268 /nfs/dbraw/zinc/63/02/68/1036630268.db2.gz ROBOOJXTIYGECP-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN Cc1ccc(-c2nc(CNCc3ccc(C)cc3O)co2)cc1 ZINC001183754780 1036670012 /nfs/dbraw/zinc/67/00/12/1036670012.db2.gz KYJWDGOYLKXGFY-UHFFFAOYSA-N 0 1 308.381 3.954 20 10 DHCDMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833824 1036989187 /nfs/dbraw/zinc/98/91/87/1036989187.db2.gz MVYGMWVDJUXYTH-STQMWFEESA-N 0 1 316.401 3.544 20 10 DHCDMN COc1cc(CN(C)Cc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000915825956 1037242191 /nfs/dbraw/zinc/24/21/91/1037242191.db2.gz KOBNJBMQHYFEPK-UHFFFAOYSA-N 0 1 314.429 3.725 20 10 DHCDMN C[N@H+](CCC(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203663747 1037651020 /nfs/dbraw/zinc/65/10/20/1037651020.db2.gz GCKXWUNUJHLZPB-UHFFFAOYSA-N 0 1 303.789 3.750 20 10 DHCDMN C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203663747 1037651042 /nfs/dbraw/zinc/65/10/42/1037651042.db2.gz GCKXWUNUJHLZPB-UHFFFAOYSA-N 0 1 303.789 3.750 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1[O-] ZINC000776259080 1038100812 /nfs/dbraw/zinc/10/08/12/1038100812.db2.gz ZXKPKEAGPUCGLP-CYBMUJFWSA-N 0 1 311.853 3.632 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](c3ccccc3F)C2)c1 ZINC000164274944 1038111137 /nfs/dbraw/zinc/11/11/37/1038111137.db2.gz OEQPGXFIFHVNNF-SFHVURJKSA-N 0 1 315.388 3.722 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775496197 1038573273 /nfs/dbraw/zinc/57/32/73/1038573273.db2.gz GOVFUTLHVIGEDD-IAQYHMDHSA-N 0 1 305.809 3.508 20 10 DHCDMN CC[C@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775498057 1038581410 /nfs/dbraw/zinc/58/14/10/1038581410.db2.gz WSMVOOCABLVEHT-NSHDSACASA-N 0 1 311.731 3.665 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775498201 1038581782 /nfs/dbraw/zinc/58/17/82/1038581782.db2.gz INFPVMLRJYOXEY-ZUZCIYMTSA-N 0 1 307.825 3.889 20 10 DHCDMN CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775506773 1038598433 /nfs/dbraw/zinc/59/84/33/1038598433.db2.gz DFXJWVWTYSFIRQ-WMZOPIPTSA-N 0 1 319.832 3.994 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507987 1038600110 /nfs/dbraw/zinc/60/01/10/1038600110.db2.gz QRSOAODLOFPIOV-HZPDHXFCSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775510842 1038601433 /nfs/dbraw/zinc/60/14/33/1038601433.db2.gz AANWMNLARPPXCU-WMLDXEAASA-N 0 1 319.832 3.862 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775513866 1038607380 /nfs/dbraw/zinc/60/73/80/1038607380.db2.gz VJLHLNOWLZVHHJ-XFBWCDHKSA-N 0 1 308.853 3.569 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775514248 1038608641 /nfs/dbraw/zinc/60/86/41/1038608641.db2.gz STNKKCVBHQQZQS-WBMJQRKESA-N 0 1 323.820 3.531 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775523009 1038630264 /nfs/dbraw/zinc/63/02/64/1038630264.db2.gz DBQRYBAHAHSNBL-JKSUJKDBSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775555221 1038712670 /nfs/dbraw/zinc/71/26/70/1038712670.db2.gz UHSULFRQAZBIMO-ZIAGYGMSSA-N 0 1 311.834 3.881 20 10 DHCDMN COc1cc(O)c(CN2CCCC[C@](C)(F)C2)cc1Cl ZINC001232263779 1039009861 /nfs/dbraw/zinc/00/98/61/1039009861.db2.gz AAPONBZYLQKKOG-HNNXBMFYSA-N 0 1 301.789 3.768 20 10 DHCDMN COc1ccc(N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000229933004 1039555369 /nfs/dbraw/zinc/55/53/69/1039555369.db2.gz OZRBMSHCYHTELQ-YVMONPNESA-N 0 1 308.425 3.531 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000230148089 1039721529 /nfs/dbraw/zinc/72/15/29/1039721529.db2.gz HOJDMIQWOJXCDK-GFCCVEGCSA-N 0 1 316.264 3.530 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCCO1 ZINC000172493879 1039920835 /nfs/dbraw/zinc/92/08/35/1039920835.db2.gz FQFAEECMDLEILB-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCCO1 ZINC000172493879 1039920851 /nfs/dbraw/zinc/92/08/51/1039920851.db2.gz FQFAEECMDLEILB-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCCO1 ZINC000172493879 1039920867 /nfs/dbraw/zinc/92/08/67/1039920867.db2.gz FQFAEECMDLEILB-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172780 1040700983 /nfs/dbraw/zinc/70/09/83/1040700983.db2.gz BOZPLQMWOGUUFR-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172780 1040701000 /nfs/dbraw/zinc/70/10/00/1040701000.db2.gz BOZPLQMWOGUUFR-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172780 1040701012 /nfs/dbraw/zinc/70/10/12/1040701012.db2.gz BOZPLQMWOGUUFR-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000273380869 130114809 /nfs/dbraw/zinc/11/48/09/130114809.db2.gz IFYNOPSSPNUNRC-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000273511699 130130716 /nfs/dbraw/zinc/13/07/16/130130716.db2.gz RVNQIPWLFGDRHH-LBPRGKRZSA-N 0 1 304.821 3.962 20 10 DHCDMN Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(O)c1C ZINC000273582525 130141108 /nfs/dbraw/zinc/14/11/08/130141108.db2.gz NAYYEFSENIJBTC-HNNXBMFYSA-N 0 1 302.462 3.677 20 10 DHCDMN Brc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000048820234 332305603 /nfs/dbraw/zinc/30/56/03/332305603.db2.gz OBRGWQBNOYZJHI-UHFFFAOYSA-N 0 1 318.214 3.674 20 10 DHCDMN CCOC(CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OCC ZINC000276507713 334080310 /nfs/dbraw/zinc/08/03/10/334080310.db2.gz KFTRVACOLQHJKY-AWEZNQCLSA-N 0 1 317.429 3.985 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)[nH]n1 ZINC000375985265 337024688 /nfs/dbraw/zinc/02/46/88/337024688.db2.gz MAXYSAOHFAYXCE-LLVKDONJSA-N 0 1 323.799 3.596 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n[nH]1 ZINC000375985265 337024689 /nfs/dbraw/zinc/02/46/89/337024689.db2.gz MAXYSAOHFAYXCE-LLVKDONJSA-N 0 1 323.799 3.596 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n[nH]1 ZINC000375985265 337024690 /nfs/dbraw/zinc/02/46/90/337024690.db2.gz MAXYSAOHFAYXCE-LLVKDONJSA-N 0 1 323.799 3.596 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2ncoc2-c2ccccc2)c1 ZINC000376310029 337031078 /nfs/dbraw/zinc/03/10/78/337031078.db2.gz XIIWMVZCOINEGF-CYBMUJFWSA-N 0 1 324.380 3.907 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CCC[C@H]2c2nccs2)c1 ZINC000377641557 337057186 /nfs/dbraw/zinc/05/71/86/337057186.db2.gz AVBUBJAKGIZWHX-FZMZJTMJSA-N 0 1 304.415 3.755 20 10 DHCDMN CCOc1cccc(CN[C@H]2COc3c2cccc3Cl)c1O ZINC000378094889 337066370 /nfs/dbraw/zinc/06/63/70/337066370.db2.gz PDZHAUBPPUGWJL-AWEZNQCLSA-N 0 1 319.788 3.668 20 10 DHCDMN CCn1nccc1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000378268940 337069188 /nfs/dbraw/zinc/06/91/88/337069188.db2.gz XJGMXTICRNYGEB-UHFFFAOYSA-N 0 1 319.836 3.642 20 10 DHCDMN CC[C@@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccccc1O ZINC000185210271 337203382 /nfs/dbraw/zinc/20/33/82/337203382.db2.gz DGHHCYUEFXBOBO-SJLPKXTDSA-N 0 1 322.412 3.649 20 10 DHCDMN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000185466173 337205471 /nfs/dbraw/zinc/20/54/71/337205471.db2.gz MZAUMMKSDFRHRV-LPLGYCIKSA-N 0 1 319.404 3.854 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000191293094 337295432 /nfs/dbraw/zinc/29/54/32/337295432.db2.gz YIAWRCIOVHBINN-LBPRGKRZSA-N 0 1 309.772 3.635 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305772236 337387343 /nfs/dbraw/zinc/38/73/43/337387343.db2.gz HUFMLIDMOUYLKC-UKRRQHHQSA-N 0 1 321.804 3.727 20 10 DHCDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000365002904 521350181 /nfs/dbraw/zinc/35/01/81/521350181.db2.gz PTHAVALKGGOZSY-MRXNPFEDSA-N 0 1 300.377 3.826 20 10 DHCDMN CN(C)c1ccc(CNC2(c3nccs3)CCCC2)cc1 ZINC000265240748 522205895 /nfs/dbraw/zinc/20/58/95/522205895.db2.gz LKHDDQIXWHRUDJ-UHFFFAOYSA-N 0 1 301.459 3.768 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1[O-] ZINC000156207256 522886324 /nfs/dbraw/zinc/88/63/24/522886324.db2.gz KVOGKTFGCHKNBJ-CQSZACIVSA-N 0 1 323.234 3.734 20 10 DHCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156389360 523155769 /nfs/dbraw/zinc/15/57/69/523155769.db2.gz QJKRWEJDFVNQER-IPELMVKDSA-N 0 1 311.425 3.791 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156389360 523155780 /nfs/dbraw/zinc/15/57/80/523155780.db2.gz QJKRWEJDFVNQER-IPELMVKDSA-N 0 1 311.425 3.791 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212364 525749533 /nfs/dbraw/zinc/74/95/33/525749533.db2.gz NAIQTOMNGVFCIQ-YGRLFVJLSA-N 0 1 305.324 3.763 20 10 DHCDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](CC)c2ccccc2O)[nH]1 ZINC000277097114 536027585 /nfs/dbraw/zinc/02/75/85/536027585.db2.gz GULJBDKSKXWBRT-OBJOEFQTSA-N 0 1 302.422 3.826 20 10 DHCDMN CCC[N@@H+](Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1O ZINC000829496695 601626537 /nfs/dbraw/zinc/62/65/37/601626537.db2.gz NPPFZAONHMVWTC-UHFFFAOYSA-N 0 1 319.426 3.873 20 10 DHCDMN CCN(CC)c1ccc(CNc2ccc(C(=O)[O-])c(C)[nH+]2)cc1 ZINC000833654348 605229198 /nfs/dbraw/zinc/22/91/98/605229198.db2.gz LUZUAHBFUFQWFB-UHFFFAOYSA-N 0 1 313.401 3.547 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172767 1025007884 /nfs/dbraw/zinc/00/78/84/1025007884.db2.gz BOZPLQMWOGUUFR-SMDDNHRTSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172767 1025007899 /nfs/dbraw/zinc/00/78/99/1025007899.db2.gz BOZPLQMWOGUUFR-SMDDNHRTSA-N 0 1 310.235 3.919 20 10 DHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccsc1 ZINC001595747850 982415847 /nfs/dbraw/zinc/41/58/47/982415847.db2.gz KLPZBMNVMPUZHY-MRXNPFEDSA-N 0 1 319.426 3.882 20 10 DHCDMN CCCC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC001595749322 982422605 /nfs/dbraw/zinc/42/26/05/982422605.db2.gz XMVHEDSWHBHGOV-UHFFFAOYSA-N 0 1 313.397 3.893 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000276222935 1014891577 /nfs/dbraw/zinc/89/15/77/1014891577.db2.gz QUAPOTMEYPTUSZ-AWEZNQCLSA-N 0 1 307.752 3.798 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583830 1015211118 /nfs/dbraw/zinc/21/11/18/1015211118.db2.gz YQUAJJZRHKTRMX-SECBINFHSA-N 0 1 312.797 3.631 20 10 DHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001591086714 991603481 /nfs/dbraw/zinc/60/34/81/991603481.db2.gz CFYRDYUCSHQOGZ-OAHLLOKOSA-N 0 1 318.392 3.636 20 10 DHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598519257 992658327 /nfs/dbraw/zinc/65/83/27/992658327.db2.gz MUHMPYJMVBGFOG-UHFFFAOYSA-N 0 1 316.445 3.506 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000280888157 1015806004 /nfs/dbraw/zinc/80/60/04/1015806004.db2.gz FLBNMMHQPMWANC-VIFPVBQESA-N 0 1 320.177 3.680 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000185015590 1016506164 /nfs/dbraw/zinc/50/61/64/1016506164.db2.gz GXIAZISDKFBYHP-CQSZACIVSA-N 0 1 321.424 3.857 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000108880031 1016636847 /nfs/dbraw/zinc/63/68/47/1016636847.db2.gz WDAMZEXWUMRVPX-LBPRGKRZSA-N 0 1 303.789 3.702 20 10 DHCDMN CSCCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185162919 1016674104 /nfs/dbraw/zinc/67/41/04/1016674104.db2.gz PVOJZBRYQLPUCU-UHFFFAOYSA-N 0 1 318.280 3.778 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000840882505 1017307018 /nfs/dbraw/zinc/30/70/18/1017307018.db2.gz WDFOYXULVKPRJT-DGCLKSJQSA-N 0 1 323.795 3.611 20 10 DHCDMN CN(C)Cc1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001171401945 1032586972 /nfs/dbraw/zinc/58/69/72/1032586972.db2.gz CQFIHECXLQSPQL-UHFFFAOYSA-N 0 1 307.397 3.614 20 10 DHCDMN COc1cc(C)cc(CN[C@@H](c2nc(C)cs2)C2CC2)c1O ZINC000894307611 1012525368 /nfs/dbraw/zinc/52/53/68/1012525368.db2.gz KGYZAIOQSLKKNO-OAHLLOKOSA-N 0 1 318.442 3.715 20 10 DHCDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000192854300 1017122909 /nfs/dbraw/zinc/12/29/09/1017122909.db2.gz WQLZIKDSAHWXMR-STQMWFEESA-N 0 1 309.413 3.999 20 10 DHCDMN COc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000783595116 1017401946 /nfs/dbraw/zinc/40/19/46/1017401946.db2.gz OADCSMDCLAVDAA-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN CCCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000021812904 1017957625 /nfs/dbraw/zinc/95/76/25/1017957625.db2.gz FPGLXFOLMQMWID-UHFFFAOYSA-N 0 1 317.260 3.663 20 10 DHCDMN CC[C@H](NCc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000766091549 1018260691 /nfs/dbraw/zinc/26/06/91/1018260691.db2.gz BQWPHJRBVOBZOV-SFHVURJKSA-N 0 1 300.450 3.771 20 10 DHCDMN COc1cccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858100365 1032766277 /nfs/dbraw/zinc/76/62/77/1032766277.db2.gz FFIALFCIJAVUAT-LBPRGKRZSA-N 0 1 320.383 3.890 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000825754043 1032767551 /nfs/dbraw/zinc/76/75/51/1032767551.db2.gz YSCSZYNBYCPHAH-VIFPVBQESA-N 0 1 320.177 3.680 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCSCC1 ZINC000709588786 1018847140 /nfs/dbraw/zinc/84/71/40/1018847140.db2.gz QRIQTPKJMGGOOR-LBPRGKRZSA-N 0 1 316.264 3.530 20 10 DHCDMN C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756344633 1018882415 /nfs/dbraw/zinc/88/24/15/1018882415.db2.gz UJTCIZIEWLSXNI-ZDUSSCGKSA-N 0 1 310.869 3.961 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H]1C ZINC000715712538 1018950819 /nfs/dbraw/zinc/95/08/19/1018950819.db2.gz LTBCSRAJMKTZKE-NXEZZACHSA-N 0 1 316.214 3.914 20 10 DHCDMN CCc1onc(C)c1CNCc1ccc(N(CC)CC)cc1 ZINC000922986909 1018967484 /nfs/dbraw/zinc/96/74/84/1018967484.db2.gz GZBZPYTVUVAEGL-UHFFFAOYSA-N 0 1 301.434 3.681 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccnn2C2CCC2)cc1 ZINC000921553639 1019053842 /nfs/dbraw/zinc/05/38/42/1019053842.db2.gz KKOJNEBDASGZGX-UHFFFAOYSA-N 0 1 312.461 3.744 20 10 DHCDMN CN(C)c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1F ZINC000858238974 1032811475 /nfs/dbraw/zinc/81/14/75/1032811475.db2.gz MRDWGFXWFRQPLU-LJQANCHMSA-N 0 1 313.420 3.918 20 10 DHCDMN COCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921973803 1019246975 /nfs/dbraw/zinc/24/69/75/1019246975.db2.gz KYXVARODCNNNGS-QGZVFWFLSA-N 0 1 315.413 3.780 20 10 DHCDMN c1cc2c(cc1CNCc1ccc3c(n1)CCCC3)CCCO2 ZINC000922064512 1019390918 /nfs/dbraw/zinc/39/09/18/1019390918.db2.gz OJMMSFPGCGPXLA-UHFFFAOYSA-N 0 1 308.425 3.575 20 10 DHCDMN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000186515284 1019770082 /nfs/dbraw/zinc/77/00/82/1019770082.db2.gz JIVPECIXNQQHQS-CXAGYDPISA-N 0 1 311.381 3.913 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCc2sccc2C1 ZINC000730456442 1019993192 /nfs/dbraw/zinc/99/31/92/1019993192.db2.gz AIPZTDCMKZSGPY-UHFFFAOYSA-N 0 1 310.422 3.950 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCc2sccc2C1 ZINC000730456442 1019993194 /nfs/dbraw/zinc/99/31/94/1019993194.db2.gz AIPZTDCMKZSGPY-UHFFFAOYSA-N 0 1 310.422 3.950 20 10 DHCDMN CN(Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000731843555 1020156891 /nfs/dbraw/zinc/15/68/91/1020156891.db2.gz QIIQMQPLLRSEFZ-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3cccnc32)c(Cl)c1 ZINC000922875612 1020318108 /nfs/dbraw/zinc/31/81/08/1020318108.db2.gz NUQWGAYENOWWAM-OAHLLOKOSA-N 0 1 302.805 3.916 20 10 DHCDMN CCn1c(CNCc2ccc3c(c2)CCCO3)nc2ccccc21 ZINC000921690323 1020466873 /nfs/dbraw/zinc/46/68/73/1020466873.db2.gz RGIHTWBTURJSKS-UHFFFAOYSA-N 0 1 321.424 3.671 20 10 DHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCO1 ZINC000738060233 1020863033 /nfs/dbraw/zinc/86/30/33/1020863033.db2.gz BQZYUFNFOMQFBE-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H]1CCCO1 ZINC000738060233 1020863039 /nfs/dbraw/zinc/86/30/39/1020863039.db2.gz BQZYUFNFOMQFBE-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC1(C)Cc2cccc(CNCc3ccc4c(c3)CCO4)c2O1 ZINC000738430856 1020873993 /nfs/dbraw/zinc/87/39/93/1020873993.db2.gz RISJTUVDVQNDAJ-UHFFFAOYSA-N 0 1 309.409 3.625 20 10 DHCDMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861870 1020956240 /nfs/dbraw/zinc/95/62/40/1020956240.db2.gz SCXPEBSMSXWPHS-ZWKOTPCHSA-N 0 1 314.429 3.576 20 10 DHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861870 1020956243 /nfs/dbraw/zinc/95/62/43/1020956243.db2.gz SCXPEBSMSXWPHS-ZWKOTPCHSA-N 0 1 314.429 3.576 20 10 DHCDMN Cc1cccc(O[C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000742379642 1021115503 /nfs/dbraw/zinc/11/55/03/1021115503.db2.gz ZBVFPGMQVMVIEY-ZDUSSCGKSA-N 0 1 305.805 3.911 20 10 DHCDMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccn[nH]1 ZINC000181582843 1021259806 /nfs/dbraw/zinc/25/98/06/1021259806.db2.gz JAJUTPFORSWZIJ-AWEZNQCLSA-N 0 1 321.380 3.519 20 10 DHCDMN Cc1cc(O)c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1C ZINC000743408858 1021289589 /nfs/dbraw/zinc/28/95/89/1021289589.db2.gz OZLQBUBXEKDNAR-VQIMIIECSA-N 0 1 311.425 3.971 20 10 DHCDMN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Br)ccc1[O-] ZINC000850535911 1021589709 /nfs/dbraw/zinc/58/97/09/1021589709.db2.gz DRLQXSUVLOJHBY-PELKAZGASA-N 0 1 320.177 3.851 20 10 DHCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237078621 1021633665 /nfs/dbraw/zinc/63/36/65/1021633665.db2.gz VLJDETZUCPBRBT-OAHLLOKOSA-N 0 1 316.228 3.844 20 10 DHCDMN Cc1ccccc1CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000110247936 1022021427 /nfs/dbraw/zinc/02/14/27/1022021427.db2.gz DMSOOOOLJQDEFM-UHFFFAOYSA-N 0 1 320.230 3.795 20 10 DHCDMN CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000852594470 1022145430 /nfs/dbraw/zinc/14/54/30/1022145430.db2.gz NHITZRRDPPYTFC-LBPRGKRZSA-N 0 1 317.216 3.687 20 10 DHCDMN CC(=O)c1cc(F)cc(CN2CC=C(C(C)(C)C)CC2)c1O ZINC001168931983 1022186804 /nfs/dbraw/zinc/18/68/04/1022186804.db2.gz JJDAHQUGWJTKHU-UHFFFAOYSA-N 0 1 305.393 3.912 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000312105431 1022205535 /nfs/dbraw/zinc/20/55/35/1022205535.db2.gz WNIBHDPRCHCGEE-UHFFFAOYSA-N 0 1 304.217 3.700 20 10 DHCDMN Oc1c(CNc2cccn3cncc23)cc(Cl)c2cccnc12 ZINC001168525373 1022296697 /nfs/dbraw/zinc/29/66/97/1022296697.db2.gz BSCOOEQCLYQOGE-UHFFFAOYSA-N 0 1 324.771 3.854 20 10 DHCDMN CC(C)CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853635422 1022300912 /nfs/dbraw/zinc/30/09/12/1022300912.db2.gz NGDXJETUPFSKNM-MRXNPFEDSA-N 0 1 314.429 3.577 20 10 DHCDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000853635422 1022300928 /nfs/dbraw/zinc/30/09/28/1022300928.db2.gz NGDXJETUPFSKNM-MRXNPFEDSA-N 0 1 314.429 3.577 20 10 DHCDMN C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309755640 1022390166 /nfs/dbraw/zinc/39/01/66/1022390166.db2.gz WYBZNMNGFLPZSO-CQSZACIVSA-N 0 1 318.848 3.656 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1[O-] ZINC000756514041 1022646836 /nfs/dbraw/zinc/64/68/36/1022646836.db2.gz CYOHMSLAPUBBNY-NSHDSACASA-N 0 1 303.789 3.831 20 10 DHCDMN C[C@H](CCc1ccco1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691441820 1022693713 /nfs/dbraw/zinc/69/37/13/1022693713.db2.gz BIGCEURXLRVFST-LLVKDONJSA-N 0 1 324.218 3.859 20 10 DHCDMN Cc1csc(C2(NCc3cc(F)ccc3O)CCCC2)n1 ZINC000180738232 1022798146 /nfs/dbraw/zinc/79/81/46/1022798146.db2.gz ZOOXRGOZPUPSPI-UHFFFAOYSA-N 0 1 306.406 3.855 20 10 DHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237804310 1022865190 /nfs/dbraw/zinc/86/51/90/1022865190.db2.gz CUNLWPQCLGOCFM-UHFFFAOYSA-N 0 1 315.175 3.865 20 10 DHCDMN CN(Cc1cc(Br)ccc1O)Cc1ccccc1F ZINC000768171248 1022913348 /nfs/dbraw/zinc/91/33/48/1022913348.db2.gz ACIPCCHIQFBUDQ-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@@H](c3ccccc3)C1)CCCC2 ZINC000768442684 1022968457 /nfs/dbraw/zinc/96/84/57/1022968457.db2.gz YWIUOSLRTQGDOK-OAQYLSRUSA-N 0 1 323.436 3.845 20 10 DHCDMN Oc1ccc(CNc2ccc3c(c2)nc2cc[nH]cc3-2)cc1O ZINC001169996947 1023040002 /nfs/dbraw/zinc/04/00/02/1023040002.db2.gz NSGLYSOLWDLLRL-UHFFFAOYSA-N 0 1 305.337 3.739 20 10 DHCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000769484886 1023151773 /nfs/dbraw/zinc/15/17/73/1023151773.db2.gz WLLVTESUIZMCRD-SFHVURJKSA-N 0 1 319.832 3.910 20 10 DHCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@H](O)c1ccc(C)cc1 ZINC000769484886 1023151779 /nfs/dbraw/zinc/15/17/79/1023151779.db2.gz WLLVTESUIZMCRD-SFHVURJKSA-N 0 1 319.832 3.910 20 10 DHCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000769875919 1023239445 /nfs/dbraw/zinc/23/94/45/1023239445.db2.gz XZOPYOPUNDXKPE-LLVKDONJSA-N 0 1 305.397 3.601 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000769933681 1023250692 /nfs/dbraw/zinc/25/06/92/1023250692.db2.gz HIGZWJQMSYQHAU-UHFFFAOYSA-N 0 1 317.772 3.553 20 10 DHCDMN CN1CCN(c2ccc(/C=C\c3nc4ccccc4o3)cc2)CC1 ZINC000771521455 1023448522 /nfs/dbraw/zinc/44/85/22/1023448522.db2.gz SEOONYRSULDKIS-FLIBITNWSA-N 0 1 319.408 3.750 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000771934070 1023489885 /nfs/dbraw/zinc/48/98/85/1023489885.db2.gz VBQZYQKUJPWWLP-UHFFFAOYSA-N 0 1 320.440 3.775 20 10 DHCDMN Cc1ccc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778661 1033141017 /nfs/dbraw/zinc/14/10/17/1033141017.db2.gz LKAANDZDTMGVCG-CXAGYDPISA-N 0 1 303.427 3.724 20 10 DHCDMN Cc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795596 1033142983 /nfs/dbraw/zinc/14/29/83/1033142983.db2.gz ROEFLMMHCZHDEU-JLCFBVMHSA-N 0 1 317.454 3.631 20 10 DHCDMN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876795595 1033143656 /nfs/dbraw/zinc/14/36/56/1033143656.db2.gz ROEFLMMHCZHDEU-FPTDNZKUSA-N 0 1 317.454 3.631 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CC2(CCCC2)O1 ZINC000785986720 1023648883 /nfs/dbraw/zinc/64/88/83/1023648883.db2.gz CNLAQJVKGOVRBH-UHFFFAOYSA-N 0 1 309.837 3.969 20 10 DHCDMN Cc1cc(C)c([C@H](C)Nc2cnn(-c3ccncc3)c2)c(O)c1 ZINC000788721081 1023925454 /nfs/dbraw/zinc/92/54/54/1023925454.db2.gz YBWBJACVEUETOQ-AWEZNQCLSA-N 0 1 308.385 3.763 20 10 DHCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000193874797 1023978554 /nfs/dbraw/zinc/97/85/54/1023978554.db2.gz LGIGSIKHTHZTKK-AEGPPILISA-N 0 1 313.397 3.538 20 10 DHCDMN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186170562 1024053944 /nfs/dbraw/zinc/05/39/44/1024053944.db2.gz UKYICDVLVCWGHC-CQSZACIVSA-N 0 1 301.430 3.995 20 10 DHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789593763 1024127329 /nfs/dbraw/zinc/12/73/29/1024127329.db2.gz VGMSZTKJILBQSS-MRXNPFEDSA-N 0 1 315.816 3.558 20 10 DHCDMN CC(C)(C)C[C@H](CC(=O)[O-])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000789903418 1024188822 /nfs/dbraw/zinc/18/88/22/1024188822.db2.gz JJNDIXASLGKGJL-VIFPVBQESA-N 0 1 317.788 3.554 20 10 DHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000131062242 1024253218 /nfs/dbraw/zinc/25/32/18/1024253218.db2.gz DQUZONUMJHSDMZ-SECBINFHSA-N 0 1 310.737 3.740 20 10 DHCDMN COCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CC[C@@H](C)C1 ZINC000790476865 1024308176 /nfs/dbraw/zinc/30/81/76/1024308176.db2.gz FDVWZHALFPJFEF-ZBFHGGJFSA-N 0 1 314.429 3.577 20 10 DHCDMN COCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CC[C@@H](C)C1 ZINC000790476865 1024308189 /nfs/dbraw/zinc/30/81/89/1024308189.db2.gz FDVWZHALFPJFEF-ZBFHGGJFSA-N 0 1 314.429 3.577 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000883276042 1024347264 /nfs/dbraw/zinc/34/72/64/1024347264.db2.gz FHXCZLDOIAMAPI-XJKSGUPXSA-N 0 1 323.820 3.531 20 10 DHCDMN COCc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000271054342 1024449134 /nfs/dbraw/zinc/44/91/34/1024449134.db2.gz RRKHNBSIIXDDTC-UHFFFAOYSA-N 0 1 314.429 3.657 20 10 DHCDMN COCc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000271054342 1024449140 /nfs/dbraw/zinc/44/91/40/1024449140.db2.gz RRKHNBSIIXDDTC-UHFFFAOYSA-N 0 1 314.429 3.657 20 10 DHCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001139686306 1024695146 /nfs/dbraw/zinc/69/51/46/1024695146.db2.gz TYKZAEPZUSDPBL-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC001139686306 1024695152 /nfs/dbraw/zinc/69/51/52/1024695152.db2.gz TYKZAEPZUSDPBL-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccccn2)c(C(F)(F)F)c1 ZINC000793075956 1024878293 /nfs/dbraw/zinc/87/82/93/1024878293.db2.gz IEKGJPRXIYLJJP-UHFFFAOYSA-N 0 1 323.362 3.798 20 10 DHCDMN CCN(CC)c1ccc(CN2CCC(F)(F)CC2)cc1F ZINC000793361454 1025002510 /nfs/dbraw/zinc/00/25/10/1025002510.db2.gz HIAMKHXTWMOEIY-UHFFFAOYSA-N 0 1 300.368 3.903 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000793370740 1025009764 /nfs/dbraw/zinc/00/97/64/1025009764.db2.gz QXDUGPVTISIXGP-ZDUSSCGKSA-N 0 1 322.405 3.567 20 10 DHCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1c1cccnc1 ZINC000793566314 1025106728 /nfs/dbraw/zinc/10/67/28/1025106728.db2.gz AEHPSQMKGNATOH-IBGZPJMESA-N 0 1 319.408 3.919 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1c1cccnc1 ZINC000793566314 1025106809 /nfs/dbraw/zinc/10/68/09/1025106809.db2.gz AEHPSQMKGNATOH-IBGZPJMESA-N 0 1 319.408 3.919 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000825939865 1033261842 /nfs/dbraw/zinc/26/18/42/1033261842.db2.gz IMHMFEHWWAGGKA-YVEFUNNKSA-N 0 1 305.805 3.566 20 10 DHCDMN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135460216 1025235322 /nfs/dbraw/zinc/23/53/22/1025235322.db2.gz AFMYCJASUNZTIT-ZDUSSCGKSA-N 0 1 313.850 3.576 20 10 DHCDMN CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135460216 1025235331 /nfs/dbraw/zinc/23/53/31/1025235331.db2.gz AFMYCJASUNZTIT-ZDUSSCGKSA-N 0 1 313.850 3.576 20 10 DHCDMN CCC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804870399 1025499350 /nfs/dbraw/zinc/49/93/50/1025499350.db2.gz ACPBPRRPKBZPHM-MRVPVSSYSA-N 0 1 305.205 3.687 20 10 DHCDMN CC(C)(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804978088 1025518801 /nfs/dbraw/zinc/51/88/01/1025518801.db2.gz IRTUFXICUIAZOM-UHFFFAOYSA-N 0 1 305.205 3.544 20 10 DHCDMN O=C(NCCC1CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805193969 1025550772 /nfs/dbraw/zinc/55/07/72/1025550772.db2.gz GEXINHGQRKJTAN-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN CCC[N@@H+](Cc1ccc2oc(=O)oc2c1)Cc1ccccc1O ZINC000893984428 1025642946 /nfs/dbraw/zinc/64/29/46/1025642946.db2.gz ONYDJYOVCDIMTH-UHFFFAOYSA-N 0 1 313.353 3.504 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCc3c2nccc3Cl)cc1F ZINC000924861942 1025740643 /nfs/dbraw/zinc/74/06/43/1025740643.db2.gz MKLIUTROOYVZJZ-OAHLLOKOSA-N 0 1 319.811 3.717 20 10 DHCDMN C[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839157 1026132348 /nfs/dbraw/zinc/13/23/48/1026132348.db2.gz XZNKNGLONIUOQQ-IUCAKERBSA-N 0 1 302.201 3.751 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1F ZINC000807838481 1026131439 /nfs/dbraw/zinc/13/14/39/1026131439.db2.gz TXMVYLBRLZZWFN-UHFFFAOYSA-N 0 1 314.143 3.768 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729668 1026595691 /nfs/dbraw/zinc/59/56/91/1026595691.db2.gz WSSIIHBBFQETKF-CQSZACIVSA-N 0 1 306.768 3.917 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000809713575 1026602147 /nfs/dbraw/zinc/60/21/47/1026602147.db2.gz UAQGPRSJYVOABS-ZIAGYGMSSA-N 0 1 310.235 3.823 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809738135 1026609642 /nfs/dbraw/zinc/60/96/42/1026609642.db2.gz QRMGWWLXMTUZND-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN CC[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(C)cc1O ZINC000280227110 1026618188 /nfs/dbraw/zinc/61/81/88/1026618188.db2.gz VBQKMBWFGBZAAR-QGZVFWFLSA-N 0 1 322.412 3.522 20 10 DHCDMN CC[C@H](NCc1ncnn1-c1ccccc1)c1ccc(C)cc1O ZINC000280227106 1026618392 /nfs/dbraw/zinc/61/83/92/1026618392.db2.gz VBQKMBWFGBZAAR-KRWDZBQOSA-N 0 1 322.412 3.522 20 10 DHCDMN CN(C)c1ccccc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809788050 1026625496 /nfs/dbraw/zinc/62/54/96/1026625496.db2.gz MGQXAAIUEHBWFB-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809788050 1026625497 /nfs/dbraw/zinc/62/54/97/1026625497.db2.gz MGQXAAIUEHBWFB-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000809787249 1026626329 /nfs/dbraw/zinc/62/63/29/1026626329.db2.gz XDYUBWQDITVFEN-LBPRGKRZSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000809787249 1026626333 /nfs/dbraw/zinc/62/63/33/1026626333.db2.gz XDYUBWQDITVFEN-LBPRGKRZSA-N 0 1 310.235 3.777 20 10 DHCDMN CCC(C)(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805359045 1026662863 /nfs/dbraw/zinc/66/28/63/1026662863.db2.gz XBLBFVMUCOYUAJ-UHFFFAOYSA-N 0 1 319.232 3.934 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214850 1026707532 /nfs/dbraw/zinc/70/75/32/1026707532.db2.gz KDNAPBCQPPKGFL-JSGCOSHPSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214852 1026707664 /nfs/dbraw/zinc/70/76/64/1026707664.db2.gz KDNAPBCQPPKGFL-TZMCWYRMSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218863 1026709123 /nfs/dbraw/zinc/70/91/23/1026709123.db2.gz DUYNTHWJQIRRQP-KBPBESRZSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218478 1026709334 /nfs/dbraw/zinc/70/93/34/1026709334.db2.gz UMCLMPHHYORMEE-UKRRQHHQSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218965 1026709719 /nfs/dbraw/zinc/70/97/19/1026709719.db2.gz YPPBODHCXIIOHB-UKRRQHHQSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218419 1026709968 /nfs/dbraw/zinc/70/99/68/1026709968.db2.gz TVIIXCMDWIEPPE-BFHYXJOUSA-N 0 1 317.351 3.755 20 10 DHCDMN C/C=C\C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237786 1026724899 /nfs/dbraw/zinc/72/48/99/1026724899.db2.gz WFQLTLKXOSXLLB-CRFLGQKZSA-N 0 1 317.351 3.779 20 10 DHCDMN CC[C@H](NCc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894246231 1026771290 /nfs/dbraw/zinc/77/12/90/1026771290.db2.gz KGXOCYBBSTZTHI-ZDUSSCGKSA-N 0 1 306.431 3.715 20 10 DHCDMN COc1ccc(N(Cc2[nH]ncc2C)Cc2ccccc2)cc1 ZINC000811452811 1027003564 /nfs/dbraw/zinc/00/35/64/1027003564.db2.gz JDAHQQPTRSGHNV-UHFFFAOYSA-N 0 1 307.397 3.934 20 10 DHCDMN COC1CCC([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295232543 1027153076 /nfs/dbraw/zinc/15/30/76/1027153076.db2.gz DBTPIEVWEXFIRL-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000813791695 1027712588 /nfs/dbraw/zinc/71/25/88/1027712588.db2.gz HVRMPYNHAHAQRH-CQSZACIVSA-N 0 1 320.795 3.553 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000813792040 1027714976 /nfs/dbraw/zinc/71/49/76/1027714976.db2.gz PDEIJBQHBXJLEA-GFCCVEGCSA-N 0 1 320.795 3.553 20 10 DHCDMN Cc1ccoc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000813883969 1027749790 /nfs/dbraw/zinc/74/97/90/1027749790.db2.gz YTZZDYXMKQYXHN-SNVBAGLBSA-N 0 1 310.191 3.907 20 10 DHCDMN C[C@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015113 1027817560 /nfs/dbraw/zinc/81/75/60/1027817560.db2.gz MYYBRUAYDAYNPL-JKSUJKDBSA-N 0 1 303.446 3.952 20 10 DHCDMN C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015113 1027817578 /nfs/dbraw/zinc/81/75/78/1027817578.db2.gz MYYBRUAYDAYNPL-JKSUJKDBSA-N 0 1 303.446 3.952 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)C2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000774904080 1027950654 /nfs/dbraw/zinc/95/06/54/1027950654.db2.gz BRLLAMZLVJGVJL-UHFFFAOYSA-N 0 1 322.405 3.710 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367722615 1028230861 /nfs/dbraw/zinc/23/08/61/1028230861.db2.gz AYGVHSCXKFTGPJ-CYBMUJFWSA-N 0 1 323.799 3.862 20 10 DHCDMN CC[C@H](COC)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220044 1028239314 /nfs/dbraw/zinc/23/93/14/1028239314.db2.gz ZXUCXLKDPOYSAC-DGCLKSJQSA-N 0 1 305.340 3.877 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ccncc2OC)cc1 ZINC000188783520 1028529839 /nfs/dbraw/zinc/52/98/39/1028529839.db2.gz SUEPTRUDBQWVSA-GJZGRUSLSA-N 0 1 313.445 3.958 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC12CCOCC2 ZINC000371393413 1028702515 /nfs/dbraw/zinc/70/25/15/1028702515.db2.gz OWSPZTGCVPITPR-UHFFFAOYSA-N 0 1 316.228 3.844 20 10 DHCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1cccc(C(C)C)c1 ZINC000816320201 1028815340 /nfs/dbraw/zinc/81/53/40/1028815340.db2.gz OKWMJGWEYXQOLJ-UHFFFAOYSA-N 0 1 323.400 3.588 20 10 DHCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816493756 1028896274 /nfs/dbraw/zinc/89/62/74/1028896274.db2.gz MLCDCBRJHMCNIC-UHFFFAOYSA-N 0 1 308.784 3.990 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000816515450 1028915977 /nfs/dbraw/zinc/91/59/77/1028915977.db2.gz ZTQOMHACQNDKAS-MRXNPFEDSA-N 0 1 313.800 3.577 20 10 DHCDMN Cc1cc(C)n(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816528617 1028918050 /nfs/dbraw/zinc/91/80/50/1028918050.db2.gz KMRPAEONGRYNET-UHFFFAOYSA-N 0 1 309.413 3.539 20 10 DHCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816532997 1028924070 /nfs/dbraw/zinc/92/40/70/1028924070.db2.gz FPRIOGVAWMPGBW-UHFFFAOYSA-N 0 1 306.409 3.771 20 10 DHCDMN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549869 1028928368 /nfs/dbraw/zinc/92/83/68/1028928368.db2.gz AQQRZMLQBCRVBC-GOSISDBHSA-N 0 1 319.408 3.811 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc2ccccc12 ZINC000816528904 1028936518 /nfs/dbraw/zinc/93/65/18/1028936518.db2.gz XCNJEBNAPPVYQW-GOSISDBHSA-N 0 1 311.356 3.508 20 10 DHCDMN Cc1ccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])[nH]c2c1 ZINC000816554159 1028941728 /nfs/dbraw/zinc/94/17/28/1028941728.db2.gz QRDFRSZFBRGKDI-UHFFFAOYSA-N 0 1 319.767 3.659 20 10 DHCDMN CCc1cnc(CC[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816555083 1028943262 /nfs/dbraw/zinc/94/32/62/1028943262.db2.gz SUCDXPFLYMLNNB-UHFFFAOYSA-N 0 1 312.438 3.897 20 10 DHCDMN C[C@@H](CCO)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816560279 1028946698 /nfs/dbraw/zinc/94/66/98/1028946698.db2.gz KKSDFLPXZHJAQC-HNNXBMFYSA-N 0 1 313.441 3.824 20 10 DHCDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816570708 1028947318 /nfs/dbraw/zinc/94/73/18/1028947318.db2.gz FHBHNUAGPDDFJA-GFCCVEGCSA-N 0 1 315.816 3.823 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566154 1028949177 /nfs/dbraw/zinc/94/91/77/1028949177.db2.gz MLGDJQMMGQRORZ-CQSZACIVSA-N 0 1 307.340 3.749 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566154 1028949179 /nfs/dbraw/zinc/94/91/79/1028949179.db2.gz MLGDJQMMGQRORZ-CQSZACIVSA-N 0 1 307.340 3.749 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000816599387 1028955263 /nfs/dbraw/zinc/95/52/63/1028955263.db2.gz KXSIPQUQDGFAPY-NSHDSACASA-N 0 1 306.768 3.569 20 10 DHCDMN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816610601 1028959196 /nfs/dbraw/zinc/95/91/96/1028959196.db2.gz QTYMDAQNQOHULX-QGZVFWFLSA-N 0 1 320.392 3.813 20 10 DHCDMN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816610600 1028960226 /nfs/dbraw/zinc/96/02/26/1028960226.db2.gz QTYMDAQNQOHULX-KRWDZBQOSA-N 0 1 320.392 3.813 20 10 DHCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609280 1028961295 /nfs/dbraw/zinc/96/12/95/1028961295.db2.gz WOYHXTDNBSGJMR-AAEUAGOBSA-N 0 1 315.816 3.700 20 10 DHCDMN Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc3ccccc3c1[O-])C2 ZINC000816615828 1028963903 /nfs/dbraw/zinc/96/39/03/1028963903.db2.gz HBUIMFYLQPSNSG-SFHVURJKSA-N 0 1 319.404 3.947 20 10 DHCDMN CCN(CC)c1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816665984 1028986171 /nfs/dbraw/zinc/98/61/71/1028986171.db2.gz BJSYJKAGHNZZTH-UXHICEINSA-N 0 1 314.473 3.676 20 10 DHCDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])CCC2 ZINC000373254865 1028989217 /nfs/dbraw/zinc/98/92/17/1028989217.db2.gz HDUSQRWOYWURQH-CHWSQXEVSA-N 0 1 319.836 3.779 20 10 DHCDMN CC(C)(C)Oc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000778639019 1029054840 /nfs/dbraw/zinc/05/48/40/1029054840.db2.gz KFRMWQVEIQDSMR-UHFFFAOYSA-N 0 1 320.820 3.908 20 10 DHCDMN CCOc1cc(CN(C)Cc2ccccc2O)c(F)cc1OC ZINC000529525596 1029371746 /nfs/dbraw/zinc/37/17/46/1029371746.db2.gz XVGYTVGXULJADL-UHFFFAOYSA-N 0 1 319.376 3.571 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818356372 1029384208 /nfs/dbraw/zinc/38/42/08/1029384208.db2.gz NTYYKRFZKPDCLU-JBBXEZCESA-N 0 1 301.361 3.689 20 10 DHCDMN CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000828013851 1029711177 /nfs/dbraw/zinc/71/11/77/1029711177.db2.gz MHBLMFXSASOJLW-UHFFFAOYSA-N 0 1 321.424 3.853 20 10 DHCDMN CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000828013851 1029711187 /nfs/dbraw/zinc/71/11/87/1029711187.db2.gz MHBLMFXSASOJLW-UHFFFAOYSA-N 0 1 321.424 3.853 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530385 1030043555 /nfs/dbraw/zinc/04/35/55/1030043555.db2.gz ZMVQXOABDSBUQP-QGZVFWFLSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530385 1030043572 /nfs/dbraw/zinc/04/35/72/1030043572.db2.gz ZMVQXOABDSBUQP-QGZVFWFLSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529554 1030043772 /nfs/dbraw/zinc/04/37/72/1030043772.db2.gz FOJNUTTXTWFFFO-KRWDZBQOSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529554 1030043790 /nfs/dbraw/zinc/04/37/90/1030043790.db2.gz FOJNUTTXTWFFFO-KRWDZBQOSA-N 0 1 321.848 3.827 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1 ZINC000924573895 1030126716 /nfs/dbraw/zinc/12/67/16/1030126716.db2.gz LFMCAQFIRKPRKK-INIZCTEOSA-N 0 1 301.821 3.578 20 10 DHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000924708525 1030168963 /nfs/dbraw/zinc/16/89/63/1030168963.db2.gz QXTWWKGWVDDJLC-ZDUSSCGKSA-N 0 1 319.499 3.547 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290896176 1030240430 /nfs/dbraw/zinc/24/04/30/1030240430.db2.gz LUJBBMZENHIDOF-ZBFHGGJFSA-N 0 1 307.821 3.579 20 10 DHCDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])o1 ZINC000866477971 1030312522 /nfs/dbraw/zinc/31/25/22/1030312522.db2.gz HERSKTVOQKEUHG-JTQLQIEISA-N 0 1 310.191 3.907 20 10 DHCDMN C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866482670 1030318900 /nfs/dbraw/zinc/31/89/00/1030318900.db2.gz ZYBFHXKJQSEHJZ-DYVFJYSZSA-N 0 1 307.409 3.921 20 10 DHCDMN COc1cccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000824382399 1030544644 /nfs/dbraw/zinc/54/46/44/1030544644.db2.gz BSDYCNHDSHQYEA-LBPRGKRZSA-N 0 1 323.314 3.595 20 10 DHCDMN Oc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](F)C1 ZINC000824571651 1030585253 /nfs/dbraw/zinc/58/52/53/1030585253.db2.gz OYFOGSJZKMOJNR-MRXNPFEDSA-N 0 1 301.361 3.515 20 10 DHCDMN CN(Cc1ccccc1O)Cc1cccc(OC2CC2)c1F ZINC000824594123 1030591646 /nfs/dbraw/zinc/59/16/46/1030591646.db2.gz ZRPNDRDGQVOZSY-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824602884 1030591965 /nfs/dbraw/zinc/59/19/65/1030591965.db2.gz FXVJGGQCALWSCU-CYBMUJFWSA-N 0 1 319.367 3.860 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000824815791 1030648289 /nfs/dbraw/zinc/64/82/89/1030648289.db2.gz ZSIHSKWVLDDYAZ-NOZJJQNGSA-N 0 1 304.217 3.556 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914140 1030664100 /nfs/dbraw/zinc/66/41/00/1030664100.db2.gz MZAZHDJBYROFEC-ZDUSSCGKSA-N 0 1 301.814 3.512 20 10 DHCDMN CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824870878 1030666924 /nfs/dbraw/zinc/66/69/24/1030666924.db2.gz YGBLHAZGSNDESV-CQSZACIVSA-N 0 1 310.869 3.518 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000825321165 1030775371 /nfs/dbraw/zinc/77/53/71/1030775371.db2.gz UAAHUWGDAXUHMD-APHBMKBZSA-N 0 1 309.837 3.647 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000825359053 1030787674 /nfs/dbraw/zinc/78/76/74/1030787674.db2.gz XIKWPCIYQVBKGB-XJKSGUPXSA-N 0 1 311.853 3.775 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1Cl ZINC000825394497 1030800302 /nfs/dbraw/zinc/80/03/02/1030800302.db2.gz AVACWPMLEYIVSC-XHDPSFHLSA-N 0 1 309.793 3.549 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1Cl ZINC000825489015 1030825592 /nfs/dbraw/zinc/82/55/92/1030825592.db2.gz BHSDSEVRWHHTPB-CQSZACIVSA-N 0 1 309.837 3.603 20 10 DHCDMN COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825489247 1030825919 /nfs/dbraw/zinc/82/59/19/1030825919.db2.gz GHKSACLUWSLIGP-CQSZACIVSA-N 0 1 323.820 3.684 20 10 DHCDMN COc1ccc(CN[C@@H](C)c2nc3ccccc3n2C)cc1C ZINC000123153857 1031012045 /nfs/dbraw/zinc/01/20/45/1031012045.db2.gz PPRZEZVDWUUSSQ-AWEZNQCLSA-N 0 1 309.413 3.741 20 10 DHCDMN C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000927140956 1031113963 /nfs/dbraw/zinc/11/39/63/1031113963.db2.gz UBEPFTRPUQUNEL-ONUMYQOESA-N 0 1 317.816 3.745 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc(O)ccc1F ZINC000872021923 1031405364 /nfs/dbraw/zinc/40/53/64/1031405364.db2.gz GFFSKPZBSYSYQI-CQSZACIVSA-N 0 1 314.404 3.982 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000360888940 1031605770 /nfs/dbraw/zinc/60/57/70/1031605770.db2.gz QLIRIYLJGODZKY-GTNSWQLSSA-N 0 1 317.360 3.542 20 10 DHCDMN CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2O)c2ccccc21 ZINC000929975898 1031665504 /nfs/dbraw/zinc/66/55/04/1031665504.db2.gz KBSDPQINRCTZGM-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1Cl ZINC000825635237 1031672809 /nfs/dbraw/zinc/67/28/09/1031672809.db2.gz XZQKPVAOIVCEHY-QGZVFWFLSA-N 0 1 309.837 3.745 20 10 DHCDMN CCCOc1ccc(CNCc2cn3ccccc3n2)cc1C ZINC000873008908 1031690715 /nfs/dbraw/zinc/69/07/15/1031690715.db2.gz VICGPVPDGMSOTK-UHFFFAOYSA-N 0 1 309.413 3.721 20 10 DHCDMN Cc1cc(O)c(CNCc2noc3c2CC(C)(C)CC3)cc1C ZINC000873174128 1031738605 /nfs/dbraw/zinc/73/86/05/1031738605.db2.gz AJOGNHVVHGHAFF-UHFFFAOYSA-N 0 1 314.429 3.802 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc1Cl ZINC000825667061 1031778746 /nfs/dbraw/zinc/77/87/46/1031778746.db2.gz SUWDPZFPXAGXMT-CQSZACIVSA-N 0 1 321.852 3.617 20 10 DHCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000846012848 1031804278 /nfs/dbraw/zinc/80/42/78/1031804278.db2.gz BHVJZSJGFXFQLI-LBPRGKRZSA-N 0 1 301.789 3.574 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016399 1031807660 /nfs/dbraw/zinc/80/76/60/1031807660.db2.gz VLJDUSQJTNRGKO-UHFFFAOYSA-N 0 1 323.717 3.912 20 10 DHCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000846013482 1031807923 /nfs/dbraw/zinc/80/79/23/1031807923.db2.gz BTNZAPMHRFJBSU-LLVKDONJSA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846059172 1031818104 /nfs/dbraw/zinc/81/81/04/1031818104.db2.gz ZSAHJSYFJQHGAL-UHFFFAOYSA-N 0 1 321.852 3.904 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846103877 1031877150 /nfs/dbraw/zinc/87/71/50/1031877150.db2.gz AXXLRZHTWLXMFY-ZDUSSCGKSA-N 0 1 305.727 3.806 20 10 DHCDMN CC(C)(C)c1coc(CNCc2cc(Cl)cc(F)c2O)n1 ZINC000897944526 1031890650 /nfs/dbraw/zinc/89/06/50/1031890650.db2.gz PAZQCBCWOOTBPC-UHFFFAOYSA-N 0 1 312.772 3.760 20 10 DHCDMN CC(C)(C)c1coc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000897944526 1031890664 /nfs/dbraw/zinc/89/06/64/1031890664.db2.gz PAZQCBCWOOTBPC-UHFFFAOYSA-N 0 1 312.772 3.760 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC23CCOCC3)cc1Cl ZINC000877727582 1033422772 /nfs/dbraw/zinc/42/27/72/1033422772.db2.gz CDFHMYKTTJAACS-CQSZACIVSA-N 0 1 309.837 3.650 20 10 DHCDMN Cc1csc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000877813634 1033463479 /nfs/dbraw/zinc/46/34/79/1033463479.db2.gz MZLCEZHQAXMHOH-LBPRGKRZSA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1Cl ZINC000826048329 1033744539 /nfs/dbraw/zinc/74/45/39/1033744539.db2.gz HJURHCNZRSQMJY-INIZCTEOSA-N 0 1 305.805 3.519 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1Cl ZINC000826048329 1033744551 /nfs/dbraw/zinc/74/45/51/1033744551.db2.gz HJURHCNZRSQMJY-INIZCTEOSA-N 0 1 305.805 3.519 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1Cl ZINC000826048329 1033744564 /nfs/dbraw/zinc/74/45/64/1033744564.db2.gz HJURHCNZRSQMJY-INIZCTEOSA-N 0 1 305.805 3.519 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541642 1033882786 /nfs/dbraw/zinc/88/27/86/1033882786.db2.gz YVXVBSUJXBMAMU-ZDUSSCGKSA-N 0 1 303.789 3.741 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541642 1033882799 /nfs/dbraw/zinc/88/27/99/1033882799.db2.gz YVXVBSUJXBMAMU-ZDUSSCGKSA-N 0 1 303.789 3.741 20 10 DHCDMN COC(=O)c1cc(NCc2ccc(F)c(F)c2O)c(C)cc1C ZINC000864011291 1034252400 /nfs/dbraw/zinc/25/24/00/1034252400.db2.gz UWDZRGBCAMNOIC-UHFFFAOYSA-N 0 1 321.323 3.686 20 10 DHCDMN Oc1ccccc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000179557776 1034313382 /nfs/dbraw/zinc/31/33/82/1034313382.db2.gz WSEUYFSTFRJQAO-KRWDZBQOSA-N 0 1 303.789 3.619 20 10 DHCDMN C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183730424 1034415743 /nfs/dbraw/zinc/41/57/43/1034415743.db2.gz MZCXMNVSRAMLET-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183730424 1034415758 /nfs/dbraw/zinc/41/57/58/1034415758.db2.gz MZCXMNVSRAMLET-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN COc1cc(Cl)cc(CN(C)[C@H](C)c2ccccn2)c1O ZINC000184715948 1034495902 /nfs/dbraw/zinc/49/59/02/1034495902.db2.gz CEIBSMWSWAIJKM-LLVKDONJSA-N 0 1 306.793 3.642 20 10 DHCDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(C)cc1O ZINC000794812560 1034529698 /nfs/dbraw/zinc/52/96/98/1034529698.db2.gz MJNSMBJISVIXEC-QGZVFWFLSA-N 0 1 308.385 3.845 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1cnc(Cl)c(F)c1 ZINC000865465450 1034658548 /nfs/dbraw/zinc/65/85/48/1034658548.db2.gz ABCGUGQKZRPLQY-UHFFFAOYSA-N 0 1 307.800 3.538 20 10 DHCDMN C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(F)c(F)c1O ZINC000187901826 1034738259 /nfs/dbraw/zinc/73/82/59/1034738259.db2.gz XJDLLFFYHWMNCC-SNVBAGLBSA-N 0 1 320.339 3.672 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439569 1034742382 /nfs/dbraw/zinc/74/23/82/1034742382.db2.gz LAHZMDVQJWSNRA-HNNXBMFYSA-N 0 1 313.800 3.576 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)c(Cl)c1 ZINC001177278135 1035362625 /nfs/dbraw/zinc/36/26/25/1035362625.db2.gz RZUAPJAGRCYLCF-KGLIPLIRSA-N 0 1 310.869 3.707 20 10 DHCDMN Oc1c(CN2Cc3ccccc3C(F)(F)C2)ccc(F)c1F ZINC001179920859 1035550929 /nfs/dbraw/zinc/55/09/29/1035550929.db2.gz WURRJYNSGBXPJU-UHFFFAOYSA-N 0 1 311.278 3.778 20 10 DHCDMN C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC001180001788 1035557101 /nfs/dbraw/zinc/55/71/01/1035557101.db2.gz DDXHREVQXIHBOF-LBPRGKRZSA-N 0 1 323.795 3.740 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1Cl ZINC001181112797 1035833208 /nfs/dbraw/zinc/83/32/08/1035833208.db2.gz MPZVXQAXFKEPAH-SFHVURJKSA-N 0 1 319.832 3.741 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525779 1035934502 /nfs/dbraw/zinc/93/45/02/1035934502.db2.gz OUHDYXOQJKJFNA-GJZGRUSLSA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525779 1035934518 /nfs/dbraw/zinc/93/45/18/1035934518.db2.gz OUHDYXOQJKJFNA-GJZGRUSLSA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525775 1035936611 /nfs/dbraw/zinc/93/66/11/1035936611.db2.gz OUHDYXOQJKJFNA-CABCVRRESA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001181525775 1035936615 /nfs/dbraw/zinc/93/66/15/1035936615.db2.gz OUHDYXOQJKJFNA-CABCVRRESA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cccc(OCC[N@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000775646537 1036197762 /nfs/dbraw/zinc/19/77/62/1036197762.db2.gz JXWILXIPGZXHDF-UHFFFAOYSA-N 0 1 305.805 3.865 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000775680875 1036413007 /nfs/dbraw/zinc/41/30/07/1036413007.db2.gz JYLGJNHHZZNIOD-UHFFFAOYSA-N 0 1 323.795 3.569 20 10 DHCDMN CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000775726412 1036567953 /nfs/dbraw/zinc/56/79/53/1036567953.db2.gz YBLILPHANPJOAI-UHFFFAOYSA-N 0 1 313.825 3.598 20 10 DHCDMN CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000775726412 1036567962 /nfs/dbraw/zinc/56/79/62/1036567962.db2.gz YBLILPHANPJOAI-UHFFFAOYSA-N 0 1 313.825 3.598 20 10 DHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC001183885174 1036697148 /nfs/dbraw/zinc/69/71/48/1036697148.db2.gz FVBNMCSSEAESLK-NSHDSACASA-N 0 1 324.396 3.582 20 10 DHCDMN CCCCC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911609 1037206263 /nfs/dbraw/zinc/20/62/63/1037206263.db2.gz ICAMMDXQMCOIMM-AWEZNQCLSA-N 0 1 322.405 3.854 20 10 DHCDMN CC(C)C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[NH2+]1 ZINC001235881920 1037451261 /nfs/dbraw/zinc/45/12/61/1037451261.db2.gz LVJKUEAKTDKCHU-LBPRGKRZSA-N 0 1 317.260 3.519 20 10 DHCDMN COc1cccc(C2(NCc3ccc(N(C)C)c(F)c3)CC2)c1 ZINC000150888308 1037524082 /nfs/dbraw/zinc/52/40/82/1037524082.db2.gz WTJCORVSCLCDOX-UHFFFAOYSA-N 0 1 314.404 3.679 20 10 DHCDMN COc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000784680138 1037559593 /nfs/dbraw/zinc/55/95/93/1037559593.db2.gz PETWILVSUGQTIQ-UHFFFAOYSA-N 0 1 317.816 3.655 20 10 DHCDMN COc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000784680138 1037559607 /nfs/dbraw/zinc/55/96/07/1037559607.db2.gz PETWILVSUGQTIQ-UHFFFAOYSA-N 0 1 317.816 3.655 20 10 DHCDMN Cc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000776151669 1037590545 /nfs/dbraw/zinc/59/05/45/1037590545.db2.gz SHOJTUOHWRNQBR-QGZVFWFLSA-N 0 1 314.404 3.814 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278630 1037621181 /nfs/dbraw/zinc/62/11/81/1037621181.db2.gz MYGXIQRTNNMWAX-APPDUMDISA-N 0 1 323.795 3.705 20 10 DHCDMN CCOc1ccc(O)c(CN(C)Cc2cc(C)ccc2F)c1 ZINC000775166817 1037901311 /nfs/dbraw/zinc/90/13/11/1037901311.db2.gz ALRUCGMIQGWFKB-UHFFFAOYSA-N 0 1 303.377 3.870 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775508670 1038594175 /nfs/dbraw/zinc/59/41/75/1038594175.db2.gz DWVQIPHAWHOCPT-DDUYRFODSA-N 0 1 309.837 3.900 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507058 1038597535 /nfs/dbraw/zinc/59/75/35/1038597535.db2.gz GWIYHKRQOJCGML-RDJZCZTQSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507988 1038599926 /nfs/dbraw/zinc/59/99/26/1038599926.db2.gz QRSOAODLOFPIOV-JKSUJKDBSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775508143 1038600602 /nfs/dbraw/zinc/60/06/02/1038600602.db2.gz SAIRODOBEUDZIP-HNNXBMFYSA-N 0 1 306.793 3.560 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1[O-] ZINC000775522713 1038632519 /nfs/dbraw/zinc/63/25/19/1038632519.db2.gz YMVCSTBJLBIRHV-KBPBESRZSA-N 0 1 305.809 3.887 20 10 DHCDMN COc1cc(Cl)cc(CNCc2cc(F)ccc2F)c1O ZINC000228673200 1041050475 /nfs/dbraw/zinc/05/04/75/1041050475.db2.gz SQUWFUYCDZHBRK-UHFFFAOYSA-N 0 1 313.731 3.622 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](CCOC)c2ccco2)cc1 ZINC000272596549 130045247 /nfs/dbraw/zinc/04/52/47/130045247.db2.gz RRVXQILXHHDVOV-GOSISDBHSA-N 0 1 316.445 3.993 20 10 DHCDMN CO[C@@H](C)c1nc(CN[C@H](C)c2cc(C)ccc2O)cs1 ZINC000273584261 130139704 /nfs/dbraw/zinc/13/97/04/130139704.db2.gz NIFMTIVLYPFZHE-NEPJUHHUSA-N 0 1 306.431 3.715 20 10 DHCDMN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000291673250 335083251 /nfs/dbraw/zinc/08/32/51/335083251.db2.gz GVHIWTOEFAEZHV-UHFFFAOYSA-N 0 1 314.385 3.937 20 10 DHCDMN CCCN(CCC)c1ccc(CNCc2snnc2C)cc1 ZINC000291749999 334181494 /nfs/dbraw/zinc/18/14/94/334181494.db2.gz QAYQHCZYFRHTGO-UHFFFAOYSA-N 0 1 318.490 3.763 20 10 DHCDMN CCOc1cccc(CNCc2c(C)c3ccccc3n2C)n1 ZINC000355111495 336495101 /nfs/dbraw/zinc/49/51/01/336495101.db2.gz HMHZEKAGBZGMAU-UHFFFAOYSA-N 0 1 309.413 3.570 20 10 DHCDMN C[C@H](N[C@H]1COc2c1cccc2Cl)c1cc(F)ccc1O ZINC000375242906 337006410 /nfs/dbraw/zinc/00/64/10/337006410.db2.gz ROXBDZNJDNOKJU-XPTSAGLGSA-N 0 1 307.752 3.969 20 10 DHCDMN CCc1nc([C@H]2CCCCN2Cc2cccc(Cl)c2O)no1 ZINC000378444314 337072972 /nfs/dbraw/zinc/07/29/72/337072972.db2.gz PHRHNJUGPUKYFD-CYBMUJFWSA-N 0 1 321.808 3.718 20 10 DHCDMN CCCO[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175659896 337146959 /nfs/dbraw/zinc/14/69/59/337146959.db2.gz HIQAHYBMQYIZRH-INIZCTEOSA-N 0 1 323.408 3.515 20 10 DHCDMN CCCO[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000175659896 337146960 /nfs/dbraw/zinc/14/69/60/337146960.db2.gz HIQAHYBMQYIZRH-INIZCTEOSA-N 0 1 323.408 3.515 20 10 DHCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1O ZINC000189930286 337283866 /nfs/dbraw/zinc/28/38/66/337283866.db2.gz JVWLPVVQBQNVPB-HNNXBMFYSA-N 0 1 318.442 3.893 20 10 DHCDMN CCOc1cccc(CN2CCC[C@H]2c2csc(C)n2)c1O ZINC000189930286 337283867 /nfs/dbraw/zinc/28/38/67/337283867.db2.gz JVWLPVVQBQNVPB-HNNXBMFYSA-N 0 1 318.442 3.893 20 10 DHCDMN COc1ccc(F)c(CNCc2c(C)c3ccccc3n2C)c1 ZINC000550211137 341312415 /nfs/dbraw/zinc/31/24/15/341312415.db2.gz PFWLSVQONHSENH-UHFFFAOYSA-N 0 1 312.388 3.924 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000160299592 520286775 /nfs/dbraw/zinc/28/67/75/520286775.db2.gz SWUREKRNWGYFDK-INIZCTEOSA-N 0 1 322.456 3.950 20 10 DHCDMN C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2ccccc2c1[O-] ZINC000367439527 525550087 /nfs/dbraw/zinc/55/00/87/525550087.db2.gz VGFLSQZFZBERCD-CQSZACIVSA-N 0 1 321.424 3.929 20 10 DHCDMN CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000287733403 535894298 /nfs/dbraw/zinc/89/42/98/535894298.db2.gz PGKPZMPSXJDOAU-KRWDZBQOSA-N 0 1 322.880 3.961 20 10 DHCDMN Cc1csc(C[C@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC000897301565 1017349652 /nfs/dbraw/zinc/34/96/52/1017349652.db2.gz MQUHPWYCVDPKNN-CQSZACIVSA-N 0 1 302.443 3.530 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000895580310 1015216310 /nfs/dbraw/zinc/21/63/10/1015216310.db2.gz AEOJMLHLICBGQI-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000895580310 1015216317 /nfs/dbraw/zinc/21/63/17/1015216317.db2.gz AEOJMLHLICBGQI-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844540 1015325061 /nfs/dbraw/zinc/32/50/61/1015325061.db2.gz LXFXZOUNEJTJQM-IINYFYTJSA-N 0 1 316.228 3.700 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)ccc(F)c1F ZINC000896528711 1015612414 /nfs/dbraw/zinc/61/24/14/1015612414.db2.gz RDALLYURAILZFT-LLVKDONJSA-N 0 1 324.396 3.582 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896537366 1015625518 /nfs/dbraw/zinc/62/55/18/1015625518.db2.gz UUPCTZVKYCFANK-GFCCVEGCSA-N 0 1 322.861 3.957 20 10 DHCDMN Cn1ccnc1[C@@H]1N(Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294705076 1032121927 /nfs/dbraw/zinc/12/19/27/1032121927.db2.gz DHRXKCIPAMOQLT-AWEZNQCLSA-N 0 1 323.799 3.501 20 10 DHCDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000276847995 1015710721 /nfs/dbraw/zinc/71/07/21/1015710721.db2.gz CUVUMDKSJRKLQV-BFHYXJOUSA-N 0 1 315.465 3.796 20 10 DHCDMN CC[C@H](C[NH2+][C@@H](CC)c1cc(Br)ccc1[O-])OC ZINC000386591518 1016879862 /nfs/dbraw/zinc/87/98/62/1016879862.db2.gz JMDIKYQWYSCQST-YPMHNXCESA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185370332 1016883969 /nfs/dbraw/zinc/88/39/69/1016883969.db2.gz VZOSCJCTCZNXGF-QAPCUYQASA-N 0 1 321.420 3.800 20 10 DHCDMN CN(C)c1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000185640759 1017065769 /nfs/dbraw/zinc/06/57/69/1017065769.db2.gz FQZKMURLBRJOLQ-UHFFFAOYSA-N 0 1 322.456 3.664 20 10 DHCDMN Cc1nc2cncc(NCc3cc4ccccc4cc3O)c2[nH]1 ZINC001171407045 1032599330 /nfs/dbraw/zinc/59/93/30/1032599330.db2.gz JSDXPAKUVMSUAM-UHFFFAOYSA-N 0 1 304.353 3.737 20 10 DHCDMN C[N@@H+](Cc1ccsc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000120463096 1012570167 /nfs/dbraw/zinc/57/01/67/1012570167.db2.gz KBFZVTICDOIMKE-UHFFFAOYSA-N 0 1 312.778 3.647 20 10 DHCDMN C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc2ccccc2c1[O-] ZINC000320856973 1017332847 /nfs/dbraw/zinc/33/28/47/1017332847.db2.gz UPBQNMZUPAVZEX-INIZCTEOSA-N 0 1 312.457 3.928 20 10 DHCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133103 1017664471 /nfs/dbraw/zinc/66/44/71/1017664471.db2.gz HKGVHUTUCUMOBM-UHFFFAOYSA-N 0 1 306.631 3.896 20 10 DHCDMN CC[C@H]([NH2+]CC[C@@H](C)F)c1cc(Br)ccc1[O-] ZINC000702632902 1018221666 /nfs/dbraw/zinc/22/16/66/1018221666.db2.gz KVDNIECDICWUAQ-SKDRFNHKSA-N 0 1 304.203 3.944 20 10 DHCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccncc1 ZINC000858143991 1032780695 /nfs/dbraw/zinc/78/06/95/1032780695.db2.gz DBMNVJFIMHQVFY-AWEZNQCLSA-N 0 1 321.218 3.791 20 10 DHCDMN CC(F)(F)CCC[NH2+]Cc1c([O-])cccc1Br ZINC000706831832 1018761608 /nfs/dbraw/zinc/76/16/08/1018761608.db2.gz NVYZJUDGCUSLIP-UHFFFAOYSA-N 0 1 308.166 3.680 20 10 DHCDMN CS[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706829915 1018761688 /nfs/dbraw/zinc/76/16/88/1018761688.db2.gz GXSYRNWGZNJNRR-NXEZZACHSA-N 0 1 316.264 3.528 20 10 DHCDMN CCOc1ccc(O)c(CNCc2c(F)cc(C)cc2F)c1 ZINC000922946754 1018929346 /nfs/dbraw/zinc/92/93/46/1018929346.db2.gz NNSBKCATLZRBKP-UHFFFAOYSA-N 0 1 307.340 3.667 20 10 DHCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC000715702481 1018939150 /nfs/dbraw/zinc/93/91/50/1018939150.db2.gz LCWDTGOSFRKBES-UHFFFAOYSA-N 0 1 302.187 3.668 20 10 DHCDMN CCCCC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715713564 1018950969 /nfs/dbraw/zinc/95/09/69/1018950969.db2.gz RCIBNXKEFCPVHK-UHFFFAOYSA-N 0 1 304.203 3.916 20 10 DHCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(C)c1OC ZINC000922974168 1018957785 /nfs/dbraw/zinc/95/77/85/1018957785.db2.gz YARIBSTXJABESZ-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN C[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOc2ccccc21 ZINC000923027062 1018990037 /nfs/dbraw/zinc/99/00/37/1018990037.db2.gz XDZNKQGOZQBTKN-KRWDZBQOSA-N 0 1 303.789 3.833 20 10 DHCDMN CSC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134922640 1019051131 /nfs/dbraw/zinc/05/11/31/1019051131.db2.gz JZYZATZCLVUPSN-DTWKUNHWSA-N 0 1 304.253 3.557 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1[O-] ZINC000282543915 1019188662 /nfs/dbraw/zinc/18/86/62/1019188662.db2.gz WOHPFTOKWKAMCG-IINYFYTJSA-N 0 1 305.809 3.507 20 10 DHCDMN Cc1cnc(Cl)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000922015514 1019314118 /nfs/dbraw/zinc/31/41/18/1019314118.db2.gz QSNXOQXHIVHPDB-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922215940 1019894145 /nfs/dbraw/zinc/89/41/45/1019894145.db2.gz GLFCCZDWZBGCSW-SECBINFHSA-N 0 1 321.808 3.506 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922466387 1020086499 /nfs/dbraw/zinc/08/64/99/1020086499.db2.gz IOYULLIMSNBIPU-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN Oc1ccccc1CN1CCSC[C@H]1c1ccc(F)cc1 ZINC001203556513 1020097474 /nfs/dbraw/zinc/09/74/74/1020097474.db2.gz RGLXYRDXKJNSBX-INIZCTEOSA-N 0 1 303.402 3.821 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCS1 ZINC000922839492 1020303817 /nfs/dbraw/zinc/30/38/17/1020303817.db2.gz UCMKAIOQKVIMKL-NXEZZACHSA-N 0 1 316.264 3.528 20 10 DHCDMN Oc1ccccc1CNCc1c(Cl)cccc1OC(F)F ZINC000732986620 1020312494 /nfs/dbraw/zinc/31/24/94/1020312494.db2.gz FXEUKCYUDITSRC-UHFFFAOYSA-N 0 1 313.731 3.937 20 10 DHCDMN CCn1ccnc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000733197845 1020344297 /nfs/dbraw/zinc/34/42/97/1020344297.db2.gz CQTVXZDUOHKEKP-UHFFFAOYSA-N 0 1 313.445 3.944 20 10 DHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)c(OC)c1 ZINC000179554177 1020408557 /nfs/dbraw/zinc/40/85/57/1020408557.db2.gz XGQCYWZBCHMSJG-KRWDZBQOSA-N 0 1 313.397 3.747 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735323594 1020719647 /nfs/dbraw/zinc/71/96/47/1020719647.db2.gz GBWXBIWRRSOPBL-ZDUSSCGKSA-N 0 1 301.817 3.940 20 10 DHCDMN CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000735678625 1020758308 /nfs/dbraw/zinc/75/83/08/1020758308.db2.gz YETNKKIZFZXQKH-MLGOLLRUSA-N 0 1 311.853 3.977 20 10 DHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCCO1 ZINC000738062438 1020862947 /nfs/dbraw/zinc/86/29/47/1020862947.db2.gz YTGUCGJDGLAIKU-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCCO1 ZINC000738062438 1020862954 /nfs/dbraw/zinc/86/29/54/1020862954.db2.gz YTGUCGJDGLAIKU-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN COc1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1C ZINC000741258959 1020995605 /nfs/dbraw/zinc/99/56/05/1020995605.db2.gz SMHBVLRJWIZKIV-IBGZPJMESA-N 0 1 321.424 3.731 20 10 DHCDMN CCN(C)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000741753274 1021049306 /nfs/dbraw/zinc/04/93/06/1021049306.db2.gz RHFXWRZMYRBIJV-FQEVSTJZSA-N 0 1 310.441 3.716 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1F ZINC000742381351 1021109577 /nfs/dbraw/zinc/10/95/77/1021109577.db2.gz RTGONFZJTPIASQ-LLVKDONJSA-N 0 1 309.768 3.742 20 10 DHCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCCC2 ZINC000742390998 1021111278 /nfs/dbraw/zinc/11/12/78/1021111278.db2.gz YOHMQGNUAFLVGY-JKSUJKDBSA-N 0 1 309.837 3.873 20 10 DHCDMN C[N@@H+](CCc1ccncc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795313 1021275297 /nfs/dbraw/zinc/27/52/97/1021275297.db2.gz DADWDUBFWGAIHE-UHFFFAOYSA-N 0 1 311.212 3.769 20 10 DHCDMN COc1ccc(CN2CC[C@@H](C)C(F)(F)C2)c(O)c1Cl ZINC001236801697 1021287763 /nfs/dbraw/zinc/28/77/63/1021287763.db2.gz LWMZVNBGEBPADE-SECBINFHSA-N 0 1 305.752 3.531 20 10 DHCDMN CCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC000743870197 1021396003 /nfs/dbraw/zinc/39/60/03/1021396003.db2.gz KVSCCTWIFUTTHN-UHFFFAOYSA-N 0 1 311.425 3.782 20 10 DHCDMN CCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC000743870197 1021396021 /nfs/dbraw/zinc/39/60/21/1021396021.db2.gz KVSCCTWIFUTTHN-UHFFFAOYSA-N 0 1 311.425 3.782 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c(Cl)c1 ZINC000850412460 1021518493 /nfs/dbraw/zinc/51/84/93/1021518493.db2.gz YMMCKFIZNZABFU-ACJLOTCBSA-N 0 1 319.832 3.608 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850488291 1021560979 /nfs/dbraw/zinc/56/09/79/1021560979.db2.gz MTERHSCQQIHGSR-KGLIPLIRSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)c(O)c1 ZINC001140950888 1021596543 /nfs/dbraw/zinc/59/65/43/1021596543.db2.gz NKLDMVLSGIPSAS-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN C[C@@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850570414 1021612992 /nfs/dbraw/zinc/61/29/92/1021612992.db2.gz IIACFLZVDDMDCO-SECBINFHSA-N 0 1 303.880 3.892 20 10 DHCDMN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850583241 1021621844 /nfs/dbraw/zinc/62/18/44/1021621844.db2.gz KCFUWMZWVGXIKJ-JKDFXYPNSA-N 0 1 305.805 3.818 20 10 DHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000180208153 1022118306 /nfs/dbraw/zinc/11/83/06/1022118306.db2.gz FWYQDZGPOVROMF-KRWDZBQOSA-N 0 1 300.377 3.608 20 10 DHCDMN COc1cccc(O)c1CN(C)Cc1ccc(F)c(Cl)c1 ZINC000763621240 1022159182 /nfs/dbraw/zinc/15/91/82/1022159182.db2.gz JRKYIMQUAADANE-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN CCCN(CCC)c1ccc(CNCc2ccnn2CC)cc1 ZINC000853093769 1022219929 /nfs/dbraw/zinc/21/99/29/1022219929.db2.gz QZMNHRJXSCYLND-UHFFFAOYSA-N 0 1 314.477 3.819 20 10 DHCDMN COc1ccc(N2CCN(Cc3cc4ccccc4o3)CC2)cc1 ZINC000008675512 1022237659 /nfs/dbraw/zinc/23/76/59/1022237659.db2.gz RTUHAYMCEKCQIH-UHFFFAOYSA-N 0 1 322.408 3.764 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccccc3)CCC2)c1[O-] ZINC000175568982 1022414224 /nfs/dbraw/zinc/41/42/24/1022414224.db2.gz WNSQEGLCHWBLJD-UHFFFAOYSA-N 0 1 313.372 3.903 20 10 DHCDMN Oc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000179569291 1022468640 /nfs/dbraw/zinc/46/86/40/1022468640.db2.gz HKHBXIXBHOWMGS-UHFFFAOYSA-N 0 1 309.365 3.893 20 10 DHCDMN CC(=O)c1cc(F)cc(CNC2(c3ccccc3F)CC2)c1O ZINC000179661616 1022502277 /nfs/dbraw/zinc/50/22/77/1022502277.db2.gz AIAPOZUVOFVKFM-UHFFFAOYSA-N 0 1 317.335 3.652 20 10 DHCDMN C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130829007 1022636968 /nfs/dbraw/zinc/63/69/68/1022636968.db2.gz HSBDUXIIFFTLPI-GTNSWQLSSA-N 0 1 323.795 3.787 20 10 DHCDMN CC1(C)CC[C@@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000187243338 1022647820 /nfs/dbraw/zinc/64/78/20/1022647820.db2.gz PWLRGQGLADYAFK-KRWDZBQOSA-N 0 1 315.413 3.945 20 10 DHCDMN CSCCCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691439077 1022700049 /nfs/dbraw/zinc/70/00/49/1022700049.db2.gz BBAIEBOWIJEATO-UHFFFAOYSA-N 0 1 318.280 3.778 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000076275408 1022754978 /nfs/dbraw/zinc/75/49/78/1022754978.db2.gz YTMLTVHTUCXEBN-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000068980215 1022840679 /nfs/dbraw/zinc/84/06/79/1022840679.db2.gz WMAGPGMHNKEXLS-UHFFFAOYSA-N 0 1 318.214 3.934 20 10 DHCDMN CCN(Cc1nn(C)c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000768132524 1022901685 /nfs/dbraw/zinc/90/16/85/1022901685.db2.gz GOLCTRQXFNAJTN-UHFFFAOYSA-N 0 1 322.456 3.661 20 10 DHCDMN COc1ccc(OCC[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000768197360 1022924521 /nfs/dbraw/zinc/92/45/21/1022924521.db2.gz HYLHYSQNGKYNLD-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN COc1ccc(OCC[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000768197360 1022924530 /nfs/dbraw/zinc/92/45/30/1022924530.db2.gz HYLHYSQNGKYNLD-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN C[N@H+](CCOc1ccccc1F)Cc1c([O-])cccc1Cl ZINC000768213962 1022926950 /nfs/dbraw/zinc/92/69/50/1022926950.db2.gz XAGPDJBYPDCVNN-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN C[N@@H+](CCOc1ccccc1F)Cc1c([O-])cccc1Cl ZINC000768213962 1022926959 /nfs/dbraw/zinc/92/69/59/1022926959.db2.gz XAGPDJBYPDCVNN-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)cc1[O-] ZINC000857081688 1022946929 /nfs/dbraw/zinc/94/69/29/1022946929.db2.gz QDHKPYVNNOCNQM-IUCAKERBSA-N 0 1 320.177 3.851 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc3ccccc3o2)c1 ZINC000181229346 1022998884 /nfs/dbraw/zinc/99/88/84/1022998884.db2.gz SHYHSIAAXFMWHJ-NEPJUHHUSA-N 0 1 312.369 3.954 20 10 DHCDMN CCN(Cc1cnc(C(F)(F)F)s1)Cc1ccccc1O ZINC001237953367 1023028811 /nfs/dbraw/zinc/02/88/11/1023028811.db2.gz YPYWIRNIGIMSEM-UHFFFAOYSA-N 0 1 316.348 3.890 20 10 DHCDMN CCOc1ccc(O)c(CN2CCOc3ccccc3[C@@H]2C)c1 ZINC000768930131 1023060301 /nfs/dbraw/zinc/06/03/01/1023060301.db2.gz LKIYNRXJBQINSN-AWEZNQCLSA-N 0 1 313.397 3.747 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC(C(F)(F)F)CC2)c1O ZINC000184677857 1023062836 /nfs/dbraw/zinc/06/28/36/1023062836.db2.gz SAWSTKJQDISILA-UHFFFAOYSA-N 0 1 323.742 3.829 20 10 DHCDMN Oc1ccc(F)cc1CNCc1nc2ccccc2n1C1CC1 ZINC000184779753 1023115709 /nfs/dbraw/zinc/11/57/09/1023115709.db2.gz QACAEVMXHVEUHE-UHFFFAOYSA-N 0 1 311.360 3.506 20 10 DHCDMN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1ccc(N(C)C)cc1 ZINC000769311206 1023119534 /nfs/dbraw/zinc/11/95/34/1023119534.db2.gz ZQJZTBKKOYPINN-OXQOHEQNSA-N 0 1 310.441 3.715 20 10 DHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCOC1 ZINC000749963527 1023122579 /nfs/dbraw/zinc/12/25/79/1023122579.db2.gz IHCZTFLRSCODOM-ZDUSSCGKSA-N 0 1 311.381 3.760 20 10 DHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H]1CCOC1 ZINC000749963527 1023122585 /nfs/dbraw/zinc/12/25/85/1023122585.db2.gz IHCZTFLRSCODOM-ZDUSSCGKSA-N 0 1 311.381 3.760 20 10 DHCDMN COc1cccc(O)c1CN(C)Cc1cccc(OC(C)C)c1 ZINC000769537127 1023175489 /nfs/dbraw/zinc/17/54/89/1023175489.db2.gz HRIJQMPJWNMFCX-UHFFFAOYSA-N 0 1 315.413 3.820 20 10 DHCDMN CCc1noc(C)c1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000769871606 1023234876 /nfs/dbraw/zinc/23/48/76/1023234876.db2.gz YTFHKABIGGUTLN-AWEZNQCLSA-N 0 1 313.445 3.996 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000769988123 1023257768 /nfs/dbraw/zinc/25/77/68/1023257768.db2.gz NCWIIGSQTVFESL-SJKOYZFVSA-N 0 1 313.422 3.991 20 10 DHCDMN C[N@H+](CCOCc1ccccc1)Cc1c([O-])cccc1Cl ZINC000770306721 1023294235 /nfs/dbraw/zinc/29/42/35/1023294235.db2.gz PIVHIMNCDBGGLR-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN C[N@@H+](CCOCc1ccccc1)Cc1c([O-])cccc1Cl ZINC000770306721 1023294241 /nfs/dbraw/zinc/29/42/41/1023294241.db2.gz PIVHIMNCDBGGLR-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1c(O)cccc1Cl ZINC000770429802 1023310418 /nfs/dbraw/zinc/31/04/18/1023310418.db2.gz NVQGJCRFDFYVAJ-HNNXBMFYSA-N 0 1 303.789 3.886 20 10 DHCDMN Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000770429802 1023310423 /nfs/dbraw/zinc/31/04/23/1023310423.db2.gz NVQGJCRFDFYVAJ-HNNXBMFYSA-N 0 1 303.789 3.886 20 10 DHCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876757170 1033135324 /nfs/dbraw/zinc/13/53/24/1033135324.db2.gz DREDXZOSOGXFKR-GFCCVEGCSA-N 0 1 319.351 3.669 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1[O-] ZINC000771937570 1023489553 /nfs/dbraw/zinc/48/95/53/1023489553.db2.gz GJLZSVXUTNTOMC-AWEZNQCLSA-N 0 1 318.760 3.901 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]2c2ccccc2)c1[O-] ZINC000771937570 1023489555 /nfs/dbraw/zinc/48/95/55/1023489555.db2.gz GJLZSVXUTNTOMC-AWEZNQCLSA-N 0 1 318.760 3.901 20 10 DHCDMN CCCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)c([O-])c1 ZINC000093415094 1023720585 /nfs/dbraw/zinc/72/05/85/1023720585.db2.gz QUYZSHOVHAURSC-UHFFFAOYSA-N 0 1 307.434 3.570 20 10 DHCDMN CCCOc1ccc(C[N@@H+](C)C2CCC(OC)CC2)c([O-])c1 ZINC000093415094 1023720596 /nfs/dbraw/zinc/72/05/96/1023720596.db2.gz QUYZSHOVHAURSC-UHFFFAOYSA-N 0 1 307.434 3.570 20 10 DHCDMN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000788610328 1023907930 /nfs/dbraw/zinc/90/79/30/1023907930.db2.gz LINNBMZEIGNJEZ-GFCCVEGCSA-N 0 1 309.837 3.639 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000788606070 1023912493 /nfs/dbraw/zinc/91/24/93/1023912493.db2.gz VBSMVQYXBGYTGR-GXTWGEPZSA-N 0 1 319.420 3.612 20 10 DHCDMN CSC1(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000193820047 1023975211 /nfs/dbraw/zinc/97/52/11/1023975211.db2.gz RMJONSCJVRVUAE-VIFPVBQESA-N 0 1 316.264 3.701 20 10 DHCDMN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185424643 1024029503 /nfs/dbraw/zinc/02/95/03/1024029503.db2.gz KYOUFTUULQZABY-SCLBCKFNSA-N 0 1 301.430 3.993 20 10 DHCDMN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186170547 1024053616 /nfs/dbraw/zinc/05/36/16/1024053616.db2.gz UKYICDVLVCWGHC-AWEZNQCLSA-N 0 1 301.430 3.995 20 10 DHCDMN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000789586901 1024119302 /nfs/dbraw/zinc/11/93/02/1024119302.db2.gz SUOPGQFRAZFVDR-INIZCTEOSA-N 0 1 319.832 3.735 20 10 DHCDMN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000789584866 1024120268 /nfs/dbraw/zinc/12/02/68/1024120268.db2.gz SFZFTSCTFUORMS-HNNXBMFYSA-N 0 1 319.832 3.735 20 10 DHCDMN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000789584866 1024120276 /nfs/dbraw/zinc/12/02/76/1024120276.db2.gz SFZFTSCTFUORMS-HNNXBMFYSA-N 0 1 319.832 3.735 20 10 DHCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789593762 1024126748 /nfs/dbraw/zinc/12/67/48/1024126748.db2.gz VGMSZTKJILBQSS-INIZCTEOSA-N 0 1 315.816 3.558 20 10 DHCDMN COc1ccc(O)c(CNCc2cc(F)c(Cl)cc2F)c1 ZINC000789771870 1024170773 /nfs/dbraw/zinc/17/07/73/1024170773.db2.gz YGFMKVYBDVKKGJ-UHFFFAOYSA-N 0 1 313.731 3.622 20 10 DHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000790451994 1024304513 /nfs/dbraw/zinc/30/45/13/1024304513.db2.gz OBBSGHPCATZTLZ-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN Cc1ccc2c(c1)CC[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000790451994 1024304517 /nfs/dbraw/zinc/30/45/17/1024304517.db2.gz OBBSGHPCATZTLZ-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN Cc1ccc2c(c1)CC[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000790451994 1024304526 /nfs/dbraw/zinc/30/45/26/1024304526.db2.gz OBBSGHPCATZTLZ-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CCCOC1 ZINC000883352682 1024398286 /nfs/dbraw/zinc/39/82/86/1024398286.db2.gz GHWGTHDTNHYOGM-PAPYEOQZSA-N 0 1 307.409 3.874 20 10 DHCDMN CCOc1ccc(CN[C@H]2c3ccccc3CC[C@H]2F)c(O)c1 ZINC000883382688 1024415752 /nfs/dbraw/zinc/41/57/52/1024415752.db2.gz LIFHBOAPCFODTQ-MJGOQNOKSA-N 0 1 315.388 3.906 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(F)cn2)cc1 ZINC000271281362 1024482965 /nfs/dbraw/zinc/48/29/65/1024482965.db2.gz CMPCNAPUCYLMFG-CQSZACIVSA-N 0 1 301.409 3.918 20 10 DHCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361113 1024494886 /nfs/dbraw/zinc/49/48/86/1024494886.db2.gz NHEOKKAHCQYVOL-IEBWSBKVSA-N 0 1 315.388 3.619 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792160845 1024639021 /nfs/dbraw/zinc/63/90/21/1024639021.db2.gz BXOHFFPMBLWJDH-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN Cc1cccc(O)c1CNCc1c(F)cccc1OC(F)F ZINC000877068348 1033227505 /nfs/dbraw/zinc/22/75/05/1033227505.db2.gz PKKPCSNAXCMOHS-UHFFFAOYSA-N 0 1 311.303 3.731 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc[nH]2)c(C(F)(F)F)c1 ZINC000792836801 1024806124 /nfs/dbraw/zinc/80/61/24/1024806124.db2.gz ZUDLBYKJIDLOCV-UHFFFAOYSA-N 0 1 311.351 3.732 20 10 DHCDMN CCCOc1ccc(CNC(C)(C)c2nc(C)cs2)c(O)c1 ZINC000116381713 1024859990 /nfs/dbraw/zinc/85/99/90/1024859990.db2.gz GJDQDPSLJCYPEI-UHFFFAOYSA-N 0 1 320.458 3.971 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1O ZINC000321431477 1024896850 /nfs/dbraw/zinc/89/68/50/1024896850.db2.gz LTJUELUORYQVEE-HNNXBMFYSA-N 0 1 313.372 3.723 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000321431477 1024896868 /nfs/dbraw/zinc/89/68/68/1024896868.db2.gz LTJUELUORYQVEE-HNNXBMFYSA-N 0 1 313.372 3.723 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000321431477 1024896887 /nfs/dbraw/zinc/89/68/87/1024896887.db2.gz LTJUELUORYQVEE-HNNXBMFYSA-N 0 1 313.372 3.723 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000134787493 1033245286 /nfs/dbraw/zinc/24/52/86/1033245286.db2.gz ANEFTEXOMBKMCO-DUUOMRMWSA-N 0 1 307.821 3.654 20 10 DHCDMN C[C@H]1C[C@H](C)N1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229281 1024943810 /nfs/dbraw/zinc/94/38/10/1024943810.db2.gz VEPUFLOHUYEDKW-KBPBESRZSA-N 0 1 303.406 3.568 20 10 DHCDMN C[C@@H]1C[C@@H](C)N1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229283 1024944693 /nfs/dbraw/zinc/94/46/93/1024944693.db2.gz VEPUFLOHUYEDKW-ZIAGYGMSSA-N 0 1 303.406 3.568 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793232603 1024948735 /nfs/dbraw/zinc/94/87/35/1024948735.db2.gz ZIPYVUYQYIQKNB-OIBJUYFYSA-N 0 1 311.706 3.957 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2cnn(CC3CCC3)c2)ccc2ccccc21 ZINC000897429808 1024971422 /nfs/dbraw/zinc/97/14/22/1024971422.db2.gz MFLVNDJNTOMPDX-UHFFFAOYSA-N 0 1 321.424 3.832 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172566 1025010129 /nfs/dbraw/zinc/01/01/29/1025010129.db2.gz MNVOLRLYCCQEOP-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000793608002 1025125181 /nfs/dbraw/zinc/12/51/81/1025125181.db2.gz HAIWNCPQKFLDEK-UONOGXRCSA-N 0 1 316.228 3.842 20 10 DHCDMN CC1(C)C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805108474 1025534416 /nfs/dbraw/zinc/53/44/16/1025534416.db2.gz HEPYUTCIUYQPPA-VIFPVBQESA-N 0 1 317.216 3.544 20 10 DHCDMN CC(C)C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805225882 1025553838 /nfs/dbraw/zinc/55/38/38/1025553838.db2.gz NZOFUCVLAHYYIG-VIFPVBQESA-N 0 1 319.232 3.933 20 10 DHCDMN CC(C)=CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805335388 1025574983 /nfs/dbraw/zinc/57/49/83/1025574983.db2.gz OCSAOSCSXHPOGH-UHFFFAOYSA-N 0 1 317.216 3.855 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(Cl)c1[O-] ZINC000806149167 1025811895 /nfs/dbraw/zinc/81/18/95/1025811895.db2.gz PVVLTCFUNBNEQY-MEBBXXQBSA-N 0 1 307.825 3.749 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512619 1026052615 /nfs/dbraw/zinc/05/26/15/1026052615.db2.gz BLNROIXGMIAGSW-AWEZNQCLSA-N 0 1 313.401 3.902 20 10 DHCDMN Oc1ccc(F)cc1CNCc1c(F)cccc1N1CCCC1 ZINC000289607629 1026098736 /nfs/dbraw/zinc/09/87/36/1026098736.db2.gz VNVHLVCWOPDCBN-UHFFFAOYSA-N 0 1 318.367 3.560 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(F)CCCC1 ZINC000807841347 1026123020 /nfs/dbraw/zinc/12/30/20/1026123020.db2.gz YHUGUNKDMWXMIR-UHFFFAOYSA-N 0 1 306.164 3.598 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1 ZINC000807839641 1026131936 /nfs/dbraw/zinc/13/19/36/1026131936.db2.gz QTVIDQKRKSEJSG-UHFFFAOYSA-N 0 1 314.143 3.768 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(Cl)cn1 ZINC000808086380 1026200496 /nfs/dbraw/zinc/20/04/96/1026200496.db2.gz BMYSMHUWIXVJFB-UHFFFAOYSA-N 0 1 304.564 3.755 20 10 DHCDMN CCc1cc(C)nc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808087268 1026202479 /nfs/dbraw/zinc/20/24/79/1026202479.db2.gz QPGHOSRPJISUMQ-UHFFFAOYSA-N 0 1 312.200 3.972 20 10 DHCDMN O=C1NCc2c1cccc2NCc1cc(Cl)cc(Cl)c1O ZINC000808419936 1026283681 /nfs/dbraw/zinc/28/36/81/1026283681.db2.gz OSQDUFFAKROQJO-UHFFFAOYSA-N 0 1 323.179 3.555 20 10 DHCDMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000808444615 1026287642 /nfs/dbraw/zinc/28/76/42/1026287642.db2.gz PDNSPWNRRDHYLP-XIKOKIGWSA-N 0 1 300.377 3.504 20 10 DHCDMN CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000809734578 1026597914 /nfs/dbraw/zinc/59/79/14/1026597914.db2.gz KCFMHNHTYFPKIQ-UHFFFAOYSA-N 0 1 304.821 3.895 20 10 DHCDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000809734578 1026597921 /nfs/dbraw/zinc/59/79/21/1026597921.db2.gz KCFMHNHTYFPKIQ-UHFFFAOYSA-N 0 1 304.821 3.895 20 10 DHCDMN CC[C@@H](CSC)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766995 1026606010 /nfs/dbraw/zinc/60/60/10/1026606010.db2.gz DBYHJCUAJQHGPV-LBPRGKRZSA-N 0 1 318.280 3.728 20 10 DHCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766995 1026606012 /nfs/dbraw/zinc/60/60/12/1026606012.db2.gz DBYHJCUAJQHGPV-LBPRGKRZSA-N 0 1 318.280 3.728 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000809787144 1026626061 /nfs/dbraw/zinc/62/60/61/1026626061.db2.gz UUWBMWZABPVXCE-LBPRGKRZSA-N 0 1 310.235 3.777 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226388 1026714265 /nfs/dbraw/zinc/71/42/65/1026714265.db2.gz FEODHXXCYZHEIZ-ZYHUDNBSSA-N 0 1 305.365 3.957 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229417 1026715775 /nfs/dbraw/zinc/71/57/75/1026715775.db2.gz XKEGXDYLKZLXDV-ZANVPECISA-N 0 1 313.323 3.936 20 10 DHCDMN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207667 1026716470 /nfs/dbraw/zinc/71/64/70/1026716470.db2.gz MTQURUBHPCJUAQ-ZDUSSCGKSA-N 0 1 318.383 3.792 20 10 DHCDMN CC[C@H]([NH2+]CC1(CO)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236786 1026724940 /nfs/dbraw/zinc/72/49/40/1026724940.db2.gz NIHNBIVGYWQBPE-ZDUSSCGKSA-N 0 1 317.351 3.614 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238208 1026725062 /nfs/dbraw/zinc/72/50/62/1026725062.db2.gz OFDBFBRTSDNVLF-SWHYSGLUSA-N 0 1 317.351 3.877 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(Cl)ccc1[O-] ZINC000812733919 1027382829 /nfs/dbraw/zinc/38/28/29/1027382829.db2.gz CAWMMWHASXEWLZ-LLVKDONJSA-N 0 1 315.804 3.783 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000813791694 1027714516 /nfs/dbraw/zinc/71/45/16/1027714516.db2.gz HVRMPYNHAHAQRH-AWEZNQCLSA-N 0 1 320.795 3.553 20 10 DHCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000813792154 1027715181 /nfs/dbraw/zinc/71/51/81/1027715181.db2.gz RFEVIXRBLXMJJD-UHFFFAOYSA-N 0 1 320.776 3.979 20 10 DHCDMN Cc1ccoc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000813883967 1027749575 /nfs/dbraw/zinc/74/95/75/1027749575.db2.gz YTZZDYXMKQYXHN-JTQLQIEISA-N 0 1 310.191 3.907 20 10 DHCDMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779004620 1027758097 /nfs/dbraw/zinc/75/80/97/1027758097.db2.gz XTZYRITZUUUTKA-QGZVFWFLSA-N 0 1 315.388 3.747 20 10 DHCDMN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000779024929 1027906375 /nfs/dbraw/zinc/90/63/75/1027906375.db2.gz DZAPVPPETADSQZ-DJIMGWMZSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000779024929 1027906385 /nfs/dbraw/zinc/90/63/85/1027906385.db2.gz DZAPVPPETADSQZ-DJIMGWMZSA-N 0 1 307.409 3.557 20 10 DHCDMN CC1(C)CN(Cc2cccc(Cl)c2O)C[C@H](C(F)(F)F)O1 ZINC000814176797 1027910121 /nfs/dbraw/zinc/91/01/21/1027910121.db2.gz UZMBQSCZRPDBCY-LLVKDONJSA-N 0 1 323.742 3.587 20 10 DHCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1c1ccncc1 ZINC000814227897 1027963288 /nfs/dbraw/zinc/96/32/88/1027963288.db2.gz OSRCMVMKJUDOIJ-IBGZPJMESA-N 0 1 319.408 3.919 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1c1ccncc1 ZINC000814227897 1027963300 /nfs/dbraw/zinc/96/33/00/1027963300.db2.gz OSRCMVMKJUDOIJ-IBGZPJMESA-N 0 1 319.408 3.919 20 10 DHCDMN COc1cc(CN2CC(C)(C)[C@H]2c2ccncc2)c(O)cc1C ZINC000814229883 1027965161 /nfs/dbraw/zinc/96/51/61/1027965161.db2.gz GJZREZLEYRAKHX-GOSISDBHSA-N 0 1 312.413 3.687 20 10 DHCDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036860 1028050910 /nfs/dbraw/zinc/05/09/10/1028050910.db2.gz ZABAFHZNRGNMDE-NRUUGDAUSA-N 0 1 304.340 3.965 20 10 DHCDMN C[C@H](N[C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036861 1028052975 /nfs/dbraw/zinc/05/29/75/1028052975.db2.gz ZABAFHZNRGNMDE-OUJBWJOFSA-N 0 1 304.340 3.965 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H]1OCCc2sccc21 ZINC000366475035 1028085395 /nfs/dbraw/zinc/08/53/95/1028085395.db2.gz OYYCCEHOUNOSQG-QLJPJBMISA-N 0 1 323.845 3.899 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212125 1028193846 /nfs/dbraw/zinc/19/38/46/1028193846.db2.gz MFEJNFUSNVEXAJ-MFKMUULPSA-N 0 1 305.340 3.734 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000367718091 1028231135 /nfs/dbraw/zinc/23/11/35/1028231135.db2.gz FFWVAHKBERLSIV-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000367718091 1028231148 /nfs/dbraw/zinc/23/11/48/1028231148.db2.gz FFWVAHKBERLSIV-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000368133954 1028310210 /nfs/dbraw/zinc/31/02/10/1028310210.db2.gz KNBSIKVJNPGVLR-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000368133954 1028310224 /nfs/dbraw/zinc/31/02/24/1028310224.db2.gz KNBSIKVJNPGVLR-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000368133954 1028310238 /nfs/dbraw/zinc/31/02/38/1028310238.db2.gz KNBSIKVJNPGVLR-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1cc(CN2CCO[C@H](c3ccccc3)C2)ccc1N(C)C ZINC000815016012 1028328222 /nfs/dbraw/zinc/32/82/22/1028328222.db2.gz VEPWSXFSEDKYHG-FQEVSTJZSA-N 0 1 310.441 3.635 20 10 DHCDMN CC[C@@](C)(NCc1ccc(N(C)C)c(C)c1)c1nccs1 ZINC000815071376 1028348881 /nfs/dbraw/zinc/34/88/81/1028348881.db2.gz JICPYKGIPZVAKB-QGZVFWFLSA-N 0 1 303.475 3.933 20 10 DHCDMN Cc1cc(CN2CCCC[C@@H]2c2ccnn2C)ccc1N(C)C ZINC000815106997 1028380557 /nfs/dbraw/zinc/38/05/57/1028380557.db2.gz ISHOELSGHHVOAG-LJQANCHMSA-N 0 1 312.461 3.522 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372212242 1028823808 /nfs/dbraw/zinc/82/38/08/1028823808.db2.gz OUGADOAINIRSRB-KRWDZBQOSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372212242 1028823817 /nfs/dbraw/zinc/82/38/17/1028823817.db2.gz OUGADOAINIRSRB-KRWDZBQOSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCc3ccc(O)cc3C2)ccc2ccccc21 ZINC000816492646 1028897886 /nfs/dbraw/zinc/89/78/86/1028897886.db2.gz XPTZKWKTSIWDHK-UHFFFAOYSA-N 0 1 305.377 3.809 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCc3ccc(O)cc3C2)ccc2ccccc21 ZINC000816492646 1028897896 /nfs/dbraw/zinc/89/78/96/1028897896.db2.gz XPTZKWKTSIWDHK-UHFFFAOYSA-N 0 1 305.377 3.809 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514827 1028917342 /nfs/dbraw/zinc/91/73/42/1028917342.db2.gz IJZLKFDDTHMUED-FQEVSTJZSA-N 0 1 311.425 3.938 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514827 1028917356 /nfs/dbraw/zinc/91/73/56/1028917356.db2.gz IJZLKFDDTHMUED-FQEVSTJZSA-N 0 1 311.425 3.938 20 10 DHCDMN Oc1c(CN2CCO[C@@H](c3ccco3)C2)ccc2ccccc21 ZINC000816518598 1028917611 /nfs/dbraw/zinc/91/76/11/1028917611.db2.gz HLXIAKQETICBQJ-GOSISDBHSA-N 0 1 309.365 3.712 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2cccc3c2OCO3)ccc2ccccc21 ZINC000816537876 1028926383 /nfs/dbraw/zinc/92/63/83/1028926383.db2.gz WSCCOAGCIOJLAX-UHFFFAOYSA-N 0 1 307.349 3.564 20 10 DHCDMN Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549476 1028928507 /nfs/dbraw/zinc/92/85/07/1028928507.db2.gz OZZYGQQMOAVLOY-LJQANCHMSA-N 0 1 307.393 3.677 20 10 DHCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816551032 1028932007 /nfs/dbraw/zinc/93/20/07/1028932007.db2.gz MDZGLFPWAIILJP-HXUWFJFHSA-N 0 1 307.393 3.543 20 10 DHCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521710 1028933220 /nfs/dbraw/zinc/93/32/20/1028933220.db2.gz XCSQTNXSSJTYRD-NSHDSACASA-N 0 1 303.830 3.902 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000816614083 1028963680 /nfs/dbraw/zinc/96/36/80/1028963680.db2.gz MIFPCLDBJVDPMG-IEBWSBKVSA-N 0 1 311.425 3.935 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000816614083 1028963693 /nfs/dbraw/zinc/96/36/93/1028963693.db2.gz MIFPCLDBJVDPMG-IEBWSBKVSA-N 0 1 311.425 3.935 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1[C@H]1CCCO1 ZINC000816613805 1028965298 /nfs/dbraw/zinc/96/52/98/1028965298.db2.gz FVCGCBCXOJHIGO-CABCVRRESA-N 0 1 313.800 3.574 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984373 1029320489 /nfs/dbraw/zinc/32/04/89/1029320489.db2.gz RKAVFDSGEQMVLF-MFKMUULPSA-N 0 1 317.260 3.882 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCOC1 ZINC000156028564 1029362904 /nfs/dbraw/zinc/36/29/04/1029362904.db2.gz SKXQOZAIXVOGBX-SNVBAGLBSA-N 0 1 304.217 3.557 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865725848 1029991386 /nfs/dbraw/zinc/99/13/86/1029991386.db2.gz DVFDJJZFCINOND-MRXNPFEDSA-N 0 1 309.837 3.875 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000290443901 1030052620 /nfs/dbraw/zinc/05/26/20/1030052620.db2.gz LYVXWKXFTZNEQW-KRWDZBQOSA-N 0 1 316.424 3.569 20 10 DHCDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N(C)C)cc1 ZINC000777566189 1030412274 /nfs/dbraw/zinc/41/22/74/1030412274.db2.gz JVWXMKQOLFXVJO-LJQANCHMSA-N 0 1 321.428 3.897 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc2ccccc2c1[O-] ZINC000866632830 1030413458 /nfs/dbraw/zinc/41/34/58/1030413458.db2.gz CFIWNQKUDNLJGE-CXAGYDPISA-N 0 1 307.397 3.928 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824696795 1030606248 /nfs/dbraw/zinc/60/62/48/1030606248.db2.gz SXPOQYVLIPQFQF-IMJJTQAJSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000824751381 1030638964 /nfs/dbraw/zinc/63/89/64/1030638964.db2.gz UXDJILSAQOCQFV-OAHLLOKOSA-N 0 1 311.425 3.984 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000824815792 1030649082 /nfs/dbraw/zinc/64/90/82/1030649082.db2.gz ZSIHSKWVLDDYAZ-RNCFNFMXSA-N 0 1 304.217 3.556 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000824824277 1030657446 /nfs/dbraw/zinc/65/74/46/1030657446.db2.gz IXSHJAYXZBPTRN-UHFFFAOYSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000824824277 1030657454 /nfs/dbraw/zinc/65/74/54/1030657454.db2.gz IXSHJAYXZBPTRN-UHFFFAOYSA-N 0 1 309.837 3.747 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])[C@H](C)O ZINC000824921080 1030674263 /nfs/dbraw/zinc/67/42/63/1030674263.db2.gz DXKJHEONZGBIMQ-BIMULSAOSA-N 0 1 305.340 3.611 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000825185203 1030743510 /nfs/dbraw/zinc/74/35/10/1030743510.db2.gz KNDADMHBVUWJDO-UHFFFAOYSA-N 0 1 303.789 3.579 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278633 1030763661 /nfs/dbraw/zinc/76/36/61/1030763661.db2.gz MYGXIQRTNNMWAX-DIFFPNOSSA-N 0 1 323.795 3.705 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CCO)c2cccs2)cc1Cl ZINC000825291697 1030766723 /nfs/dbraw/zinc/76/67/23/1030766723.db2.gz OPEQFSVOWSHGOV-ZDUSSCGKSA-N 0 1 311.834 3.629 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C(C)C)C2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000825331458 1030779034 /nfs/dbraw/zinc/77/90/34/1030779034.db2.gz GQYYGFHPUOZECH-UHFFFAOYSA-N 0 1 322.405 3.708 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(F)c1 ZINC000825337025 1030781910 /nfs/dbraw/zinc/78/19/10/1030781910.db2.gz GRKGYUZOSICTIA-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1Cl ZINC000825404970 1030803991 /nfs/dbraw/zinc/80/39/91/1030803991.db2.gz ADIAUIWUXBIKGD-CYBMUJFWSA-N 0 1 311.853 3.632 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1Cl ZINC000825418273 1030807188 /nfs/dbraw/zinc/80/71/88/1030807188.db2.gz VMTRJSMLYJZQKO-AWEZNQCLSA-N 0 1 324.877 3.808 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[O-] ZINC000926934598 1031006284 /nfs/dbraw/zinc/00/62/84/1031006284.db2.gz HFICZTXAFODVHI-XPCVCDNBSA-N 0 1 307.821 3.596 20 10 DHCDMN C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926965469 1031018008 /nfs/dbraw/zinc/01/80/08/1031018008.db2.gz WDCQFGHOYWAEST-RNCFNFMXSA-N 0 1 324.774 3.579 20 10 DHCDMN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000927140955 1031114571 /nfs/dbraw/zinc/11/45/71/1031114571.db2.gz UBEPFTRPUQUNEL-LSKLOWJMSA-N 0 1 317.816 3.745 20 10 DHCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299498 1031440137 /nfs/dbraw/zinc/44/01/37/1031440137.db2.gz YJTUCDMRRIBZJE-SECBINFHSA-N 0 1 302.187 3.668 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1cc(Cl)ccc1[O-] ZINC000872135449 1031530306 /nfs/dbraw/zinc/53/03/06/1031530306.db2.gz WWCDDLHACFUFDL-FZMZJTMJSA-N 0 1 305.809 3.946 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261440 1031565158 /nfs/dbraw/zinc/56/51/58/1031565158.db2.gz FFNHYLFDOXCWOK-AWEZNQCLSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261440 1031565161 /nfs/dbraw/zinc/56/51/61/1031565161.db2.gz FFNHYLFDOXCWOK-AWEZNQCLSA-N 0 1 309.837 3.969 20 10 DHCDMN Cc1nnsc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293752883 1031603457 /nfs/dbraw/zinc/60/34/57/1031603457.db2.gz RNGMJDDMQZVZFV-ZDUSSCGKSA-N 0 1 316.474 3.688 20 10 DHCDMN C[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872803882 1031663807 /nfs/dbraw/zinc/66/38/07/1031663807.db2.gz DTZPOGJFNBKTLE-HNNXBMFYSA-N 0 1 310.319 3.715 20 10 DHCDMN C[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872803882 1031663816 /nfs/dbraw/zinc/66/38/16/1031663816.db2.gz DTZPOGJFNBKTLE-HNNXBMFYSA-N 0 1 310.319 3.715 20 10 DHCDMN Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@@H](C)O)c(Cl)c1 ZINC000846014921 1031808032 /nfs/dbraw/zinc/80/80/32/1031808032.db2.gz UTMQKXBTBHYPMA-PIGZYNQJSA-N 0 1 323.795 3.705 20 10 DHCDMN CC(C)(C)c1coc(CNCc2c(O)ccc(Cl)c2F)n1 ZINC000897943927 1031891076 /nfs/dbraw/zinc/89/10/76/1031891076.db2.gz BKMPLGBOTSNUJW-UHFFFAOYSA-N 0 1 312.772 3.760 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2cccc(OC)c2O)o1 ZINC000846143062 1031904324 /nfs/dbraw/zinc/90/43/24/1031904324.db2.gz AIJISMMVESDDLZ-IUODEOHRSA-N 0 1 319.401 3.595 20 10 DHCDMN COc1cccc([C@@H](C)N[C@H](C)c2c(F)cccc2OC)c1O ZINC000846144527 1031906238 /nfs/dbraw/zinc/90/62/38/1031906238.db2.gz HKRZQEOHGWTSPC-VXGBXAGGSA-N 0 1 319.376 3.960 20 10 DHCDMN COc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527391 1031909986 /nfs/dbraw/zinc/90/99/86/1031909986.db2.gz SWPNYRUHFDQISX-CYBMUJFWSA-N 0 1 319.351 3.669 20 10 DHCDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142527418 1031911401 /nfs/dbraw/zinc/91/14/01/1031911401.db2.gz UDLFAGURVUVYOH-MRXNPFEDSA-N 0 1 304.340 3.711 20 10 DHCDMN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189332 1031923357 /nfs/dbraw/zinc/92/33/57/1031923357.db2.gz SXLRXVSOJLRONA-APPDUMDISA-N 0 1 309.837 3.901 20 10 DHCDMN Cc1ccc(C[N@H+](Cc2ccc(F)c(F)c2[O-])CC2CC2)cn1 ZINC000877604929 1033375908 /nfs/dbraw/zinc/37/59/08/1033375908.db2.gz JQTNVQBMNZPQGT-UHFFFAOYSA-N 0 1 318.367 3.786 20 10 DHCDMN Oc1c(CN[C@H](c2nccs2)C(F)(F)F)ccc(F)c1F ZINC000877648541 1033397125 /nfs/dbraw/zinc/39/71/25/1033397125.db2.gz PQPUMWDZEWIGFW-SNVBAGLBSA-N 0 1 324.274 3.520 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1Cl ZINC000877729585 1033423538 /nfs/dbraw/zinc/42/35/38/1033423538.db2.gz VYINVGKUAFOKSY-ZFWWWQNUSA-N 0 1 309.837 3.506 20 10 DHCDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000877796724 1033454988 /nfs/dbraw/zinc/45/49/88/1033454988.db2.gz KTGFRJJRISYBJF-LLVKDONJSA-N 0 1 318.244 3.682 20 10 DHCDMN Cc1nc(C)c(CNCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000862277005 1033807089 /nfs/dbraw/zinc/80/70/89/1033807089.db2.gz LEYRDXGYVIDAHX-UHFFFAOYSA-N 0 1 313.445 3.818 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2COCc3ccccc32)cc1Cl ZINC000826131302 1034156798 /nfs/dbraw/zinc/15/67/98/1034156798.db2.gz RANIWNYCPHNMPI-INIZCTEOSA-N 0 1 303.789 3.715 20 10 DHCDMN CC(=O)Nc1cc(NCc2ccc(F)c(F)c2O)ccc1C ZINC000864020135 1034258913 /nfs/dbraw/zinc/25/89/13/1034258913.db2.gz YPOJGIFGIWUCBC-UHFFFAOYSA-N 0 1 306.312 3.549 20 10 DHCDMN Cc1ccn(-c2ccccc2NCc2ccc(F)c(F)c2O)n1 ZINC000864029631 1034264750 /nfs/dbraw/zinc/26/47/50/1034264750.db2.gz CUJXKTYBCOKICR-UHFFFAOYSA-N 0 1 315.323 3.777 20 10 DHCDMN Cc1nnc(-c2cccc(NCc3ccc(F)c(F)c3O)c2)o1 ZINC000864027825 1034265107 /nfs/dbraw/zinc/26/51/07/1034265107.db2.gz GMCPFDRHCRBULK-UHFFFAOYSA-N 0 1 317.295 3.641 20 10 DHCDMN CN(C)c1cc(F)c(CNc2ccc3c[nH]nc3c2)cc1F ZINC000864043748 1034273156 /nfs/dbraw/zinc/27/31/56/1034273156.db2.gz UXKKZWMCKJCMJP-UHFFFAOYSA-N 0 1 302.328 3.519 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663708 1034320228 /nfs/dbraw/zinc/32/02/28/1034320228.db2.gz VDFDRAFSPCZBRD-HZMBPMFUSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663708 1034320237 /nfs/dbraw/zinc/32/02/37/1034320237.db2.gz VDFDRAFSPCZBRD-HZMBPMFUSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000184843795 1034505385 /nfs/dbraw/zinc/50/53/85/1034505385.db2.gz SXBJOJKPKFKNKY-JTQLQIEISA-N 0 1 305.761 3.625 20 10 DHCDMN COCCCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185232720 1034535923 /nfs/dbraw/zinc/53/59/23/1034535923.db2.gz GNBQAEIVUJZJSU-LLVKDONJSA-N 0 1 316.239 3.622 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(C)cc2O)o1 ZINC000185548482 1034558055 /nfs/dbraw/zinc/55/80/55/1034558055.db2.gz WAFKCFGQRQOVIN-BBRMVZONSA-N 0 1 303.402 3.894 20 10 DHCDMN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000794834040 1034566639 /nfs/dbraw/zinc/56/66/39/1034566639.db2.gz WPQPONMEAHMAQU-CABCVRRESA-N 0 1 300.446 3.926 20 10 DHCDMN Fc1cc(OC(F)F)ccc1CNCc1ccc2c(c1)CCO2 ZINC000865441250 1034647975 /nfs/dbraw/zinc/64/79/75/1034647975.db2.gz RXHLNPYHNJTAEA-UHFFFAOYSA-N 0 1 323.314 3.652 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001177595201 1035383532 /nfs/dbraw/zinc/38/35/32/1035383532.db2.gz WSWJWZWCCCONFF-UHFFFAOYSA-N 0 1 318.848 3.752 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1F ZINC001177733185 1035390426 /nfs/dbraw/zinc/39/04/26/1035390426.db2.gz HFEHAPKBQZCBTK-ZDUSSCGKSA-N 0 1 318.440 3.565 20 10 DHCDMN CC(C)n1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC001177799947 1035393555 /nfs/dbraw/zinc/39/35/55/1035393555.db2.gz OOKMPIWIRODBAK-CYBMUJFWSA-N 0 1 304.413 3.520 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H](C)c2c(F)cccc2F)c1 ZINC000905006663 1035475060 /nfs/dbraw/zinc/47/50/60/1035475060.db2.gz QLJVQNNPEYRILP-NSHDSACASA-N 0 1 307.340 3.920 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1O ZINC001179488999 1035480788 /nfs/dbraw/zinc/48/07/88/1035480788.db2.gz DJEXVJKYTJNKCU-SNVBAGLBSA-N 0 1 322.202 3.711 20 10 DHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898459 1035519473 /nfs/dbraw/zinc/51/94/73/1035519473.db2.gz OAPBQKCYBYLPQE-HOTGVXAUSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898459 1035519479 /nfs/dbraw/zinc/51/94/79/1035519479.db2.gz OAPBQKCYBYLPQE-HOTGVXAUSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898459 1035519483 /nfs/dbraw/zinc/51/94/83/1035519483.db2.gz OAPBQKCYBYLPQE-HOTGVXAUSA-N 0 1 311.853 3.989 20 10 DHCDMN C[C@H]1c2ccccc2CCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193589084 1035669853 /nfs/dbraw/zinc/66/98/53/1035669853.db2.gz CAVXDZLFXFXFLN-JTQLQIEISA-N 0 1 317.772 3.511 20 10 DHCDMN C[C@@H]1C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC(C)(C)C1 ZINC001193625015 1035680761 /nfs/dbraw/zinc/68/07/61/1035680761.db2.gz CVXAEVZHCDRJAI-KOLCDFICSA-N 0 1 311.809 3.696 20 10 DHCDMN Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193633903 1035684097 /nfs/dbraw/zinc/68/40/97/1035684097.db2.gz KPHSUDXESYGOEW-LLVKDONJSA-N 0 1 319.788 3.859 20 10 DHCDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774096100 1036161015 /nfs/dbraw/zinc/16/10/15/1036161015.db2.gz HRKHIAXHKOBCKH-JTQLQIEISA-N 0 1 319.276 3.937 20 10 DHCDMN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000775644584 1036182395 /nfs/dbraw/zinc/18/23/95/1036182395.db2.gz PFWVJKNVOFRWFA-UHFFFAOYSA-N 0 1 319.788 3.715 20 10 DHCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)OCCc2ccccc21 ZINC001203485909 1036240744 /nfs/dbraw/zinc/24/07/44/1036240744.db2.gz QQCQSLOXGLQLOQ-GOSISDBHSA-N 0 1 317.816 3.623 20 10 DHCDMN CC[C@@H]1CO[C@@H](CC)CN1Cc1c(O)ccc(Cl)c1F ZINC001182755816 1036435756 /nfs/dbraw/zinc/43/57/56/1036435756.db2.gz VHTHIIKMDCELIY-MNOVXSKESA-N 0 1 301.789 3.574 20 10 DHCDMN CN(CC[N@@H+](C)Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000775685566 1036435780 /nfs/dbraw/zinc/43/57/80/1036435780.db2.gz PROQEWYYXKNECG-UHFFFAOYSA-N 0 1 304.821 3.614 20 10 DHCDMN [O-]c1ccc(F)cc1C[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC001183472095 1036599752 /nfs/dbraw/zinc/59/97/52/1036599752.db2.gz LXYQKYDRTXAJIQ-SFHVURJKSA-N 0 1 314.404 3.817 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203573763 1036642435 /nfs/dbraw/zinc/64/24/35/1036642435.db2.gz GYSUOYBJCYBXQH-BMIGLBTASA-N 0 1 318.244 3.682 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1Cl ZINC001183822777 1036687110 /nfs/dbraw/zinc/68/71/10/1036687110.db2.gz MDIVDKXIYQBCRK-CQSZACIVSA-N 0 1 309.837 3.793 20 10 DHCDMN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203585270 1036787327 /nfs/dbraw/zinc/78/73/27/1036787327.db2.gz GEJSULZYJFMVHQ-CYBMUJFWSA-N 0 1 317.260 3.614 20 10 DHCDMN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)oc1C ZINC000282099937 1036797362 /nfs/dbraw/zinc/79/73/62/1036797362.db2.gz IPOXMXPCMNKEBZ-OAHLLOKOSA-N 0 1 314.429 3.584 20 10 DHCDMN COc1ccc(F)cc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000237183079 1036998507 /nfs/dbraw/zinc/99/85/07/1036998507.db2.gz ANVZWDKHIKLCJL-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774903236 1037191896 /nfs/dbraw/zinc/19/18/96/1037191896.db2.gz JRXPOZSAYJJBMR-JSGCOSHPSA-N 0 1 322.405 3.710 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCCC23CCCCC3)ccc1[N+](=O)[O-] ZINC000774904900 1037196913 /nfs/dbraw/zinc/19/69/13/1037196913.db2.gz XQEHFKLVTLIAKF-UHFFFAOYSA-N 0 1 320.389 3.608 20 10 DHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccco1 ZINC000163626192 1037654201 /nfs/dbraw/zinc/65/42/01/1037654201.db2.gz PTTXPVIGDVHQHR-AWEZNQCLSA-N 0 1 302.443 3.684 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCCCCC2)cc1Cl ZINC001205474990 1038245927 /nfs/dbraw/zinc/24/59/27/1038245927.db2.gz GOEZNXBVGBBLJU-UHFFFAOYSA-N 0 1 311.853 3.871 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCCCCC2)cc1Cl ZINC001205474990 1038245938 /nfs/dbraw/zinc/24/59/38/1038245938.db2.gz GOEZNXBVGBBLJU-UHFFFAOYSA-N 0 1 311.853 3.871 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000775492771 1038571032 /nfs/dbraw/zinc/57/10/32/1038571032.db2.gz QWRQEWAGFZDDGS-GJZGRUSLSA-N 0 1 319.836 3.897 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000775507207 1038597393 /nfs/dbraw/zinc/59/73/93/1038597393.db2.gz ISFOIHLAPSLQGQ-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227436256 1040262271 /nfs/dbraw/zinc/26/22/71/1040262271.db2.gz CBKHEKHWASYXJY-UHFFFAOYSA-N 0 1 305.249 3.519 20 10 DHCDMN COc1ccc(O)c([C@H](C)NC2(c3nc(C)cs3)CCC2)c1 ZINC000273356868 130111150 /nfs/dbraw/zinc/11/11/50/130111150.db2.gz CUZMCVXZAFNYTN-LBPRGKRZSA-N 0 1 318.442 3.896 20 10 DHCDMN COC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563841 130136544 /nfs/dbraw/zinc/13/65/44/130136544.db2.gz IVZPOJOTDOYPMB-ZBFHGGJFSA-N 0 1 303.402 3.949 20 10 DHCDMN C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1cc(F)ccc1O ZINC000375242907 337006317 /nfs/dbraw/zinc/00/63/17/337006317.db2.gz ROXBDZNJDNOKJU-YMTOWFKASA-N 0 1 307.752 3.969 20 10 DHCDMN COc1cc(Cl)cc(CN[C@H](C)c2ncc(C)s2)c1O ZINC000228675967 337078170 /nfs/dbraw/zinc/07/81/70/337078170.db2.gz YOFNFCDZCNIJKD-SECBINFHSA-N 0 1 312.822 3.670 20 10 DHCDMN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000194172507 337082296 /nfs/dbraw/zinc/08/22/96/337082296.db2.gz JJYUINONMFGXPH-KBPBESRZSA-N 0 1 314.429 3.501 20 10 DHCDMN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000194172535 337082409 /nfs/dbraw/zinc/08/24/09/337082409.db2.gz JJYUINONMFGXPH-UONOGXRCSA-N 0 1 314.429 3.501 20 10 DHCDMN Cc1nc([C@@H](N[C@H](C)c2ccc(C)cc2O)c2ccccc2)n[nH]1 ZINC000185324673 337205115 /nfs/dbraw/zinc/20/51/15/337205115.db2.gz UHBWPGWCFSEEQQ-ACJLOTCBSA-N 0 1 322.412 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186442288 337256183 /nfs/dbraw/zinc/25/61/83/337256183.db2.gz YYTVNGZFEUVKNQ-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186442288 337256184 /nfs/dbraw/zinc/25/61/84/337256184.db2.gz YYTVNGZFEUVKNQ-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1cn2cc(C)ccc2n1 ZINC000568772175 341681178 /nfs/dbraw/zinc/68/11/78/341681178.db2.gz ORGZZUQPJDNYET-UHFFFAOYSA-N 0 1 318.424 3.733 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000179888073 526327116 /nfs/dbraw/zinc/32/71/16/526327116.db2.gz CKVBLMQNUIAWFS-ZDUSSCGKSA-N 0 1 309.818 3.681 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000179888073 526327122 /nfs/dbraw/zinc/32/71/22/526327122.db2.gz CKVBLMQNUIAWFS-ZDUSSCGKSA-N 0 1 309.818 3.681 20 10 DHCDMN CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287765933 535802802 /nfs/dbraw/zinc/80/28/02/535802802.db2.gz RFENSLUFGHQCOL-MRXNPFEDSA-N 0 1 310.869 3.959 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000738463766 599841635 /nfs/dbraw/zinc/84/16/35/599841635.db2.gz KPZMEQKKRKEPDI-HNNXBMFYSA-N 0 1 305.418 3.653 20 10 DHCDMN CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1F ZINC000829496902 604770524 /nfs/dbraw/zinc/77/05/24/604770524.db2.gz UZMQEGZDPKZTLB-QGZVFWFLSA-N 0 1 317.360 3.569 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1F ZINC000829496902 604770531 /nfs/dbraw/zinc/77/05/31/604770531.db2.gz UZMQEGZDPKZTLB-QGZVFWFLSA-N 0 1 317.360 3.569 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](CO)C(C)(C)C ZINC000093837259 1013491996 /nfs/dbraw/zinc/49/19/96/1013491996.db2.gz POZCGRVTBUOWGT-LBPRGKRZSA-N 0 1 306.233 3.538 20 10 DHCDMN Cc1ccc(C)c(C[N@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001140184517 1013801202 /nfs/dbraw/zinc/80/12/02/1013801202.db2.gz XTUUWLUAZPMRFO-UHFFFAOYSA-N 0 1 302.805 3.616 20 10 DHCDMN Cc1ccc(C)c(CN2CCc3ncc(Cl)cc3C2)c1O ZINC001140184517 1013801210 /nfs/dbraw/zinc/80/12/10/1013801210.db2.gz XTUUWLUAZPMRFO-UHFFFAOYSA-N 0 1 302.805 3.616 20 10 DHCDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000069628646 1014770078 /nfs/dbraw/zinc/77/00/78/1014770078.db2.gz BENWVKLCHSWNGF-DOMZBBRYSA-N 0 1 302.393 3.898 20 10 DHCDMN CCN(C)c1ccc(C[N@@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])cc1 ZINC001596194406 983577399 /nfs/dbraw/zinc/57/73/99/983577399.db2.gz LAJRJGNAINUHKX-IBGZPJMESA-N 0 1 318.461 3.608 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000707129660 1015086881 /nfs/dbraw/zinc/08/68/81/1015086881.db2.gz ORWUPFJJXVHIQG-RYUDHWBXSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000707157310 1015133823 /nfs/dbraw/zinc/13/38/23/1015133823.db2.gz MWBWEKAXCWLRBS-MRVPVSSYSA-N 0 1 324.140 3.539 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000707157310 1015133828 /nfs/dbraw/zinc/13/38/28/1015133828.db2.gz MWBWEKAXCWLRBS-MRVPVSSYSA-N 0 1 324.140 3.539 20 10 DHCDMN Oc1cccc(Br)c1CN1CC[C@@H](C(F)(F)F)C1 ZINC000707157310 1015133833 /nfs/dbraw/zinc/13/38/33/1015133833.db2.gz MWBWEKAXCWLRBS-MRVPVSSYSA-N 0 1 324.140 3.539 20 10 DHCDMN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000277010796 1015849361 /nfs/dbraw/zinc/84/93/61/1015849361.db2.gz BWHZCQRHGVFEAI-SSDOTTSWSA-N 0 1 306.150 3.603 20 10 DHCDMN CC1=C(C)C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001594110454 998211628 /nfs/dbraw/zinc/21/16/28/998211628.db2.gz WJGMKJWGSIUZQV-UHFFFAOYSA-N 0 1 316.376 3.558 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(-c3ccccc3)on2)c1 ZINC000185302018 1016833851 /nfs/dbraw/zinc/83/38/51/1016833851.db2.gz PTOOBYCRTSKGGD-CYBMUJFWSA-N 0 1 324.380 3.907 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897082525 1017035194 /nfs/dbraw/zinc/03/51/94/1017035194.db2.gz UCPMPEXMORYCEU-CXAGYDPISA-N 0 1 309.837 3.649 20 10 DHCDMN CC(C)Oc1ncccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000320530364 1017053806 /nfs/dbraw/zinc/05/38/06/1017053806.db2.gz PSFDLHDUHSJFCM-HNNXBMFYSA-N 0 1 313.445 3.786 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000185672229 1017091470 /nfs/dbraw/zinc/09/14/70/1017091470.db2.gz CJEOJMHLHDMPBJ-YCPHGPKFSA-N 0 1 310.441 3.821 20 10 DHCDMN Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)n1-c1cccc(C)c1 ZINC000261909453 1012140955 /nfs/dbraw/zinc/14/09/55/1012140955.db2.gz ZMQDVTMCRGEQDN-UHFFFAOYSA-N 0 1 322.412 3.790 20 10 DHCDMN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037140262 1032642813 /nfs/dbraw/zinc/64/28/13/1032642813.db2.gz BQTXCMHDFITHDU-LBPRGKRZSA-N 0 1 305.805 3.862 20 10 DHCDMN COc1cc(C)cc(CN[C@H]2COc3c2cccc3Cl)c1O ZINC000894344089 1012945948 /nfs/dbraw/zinc/94/59/48/1012945948.db2.gz LDPWQASNUXSMSI-AWEZNQCLSA-N 0 1 319.788 3.586 20 10 DHCDMN C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc2ccccc2c1[O-] ZINC000320856977 1017332900 /nfs/dbraw/zinc/33/29/00/1017332900.db2.gz UPBQNMZUPAVZEX-MRXNPFEDSA-N 0 1 312.457 3.928 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000113321004 1018012315 /nfs/dbraw/zinc/01/23/15/1018012315.db2.gz WPEYZQNCCPOJCA-CQSZACIVSA-N 0 1 316.832 3.662 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)[nH]n1 ZINC000766082707 1018195502 /nfs/dbraw/zinc/19/55/02/1018195502.db2.gz BESJYZSKYZNITF-CQSZACIVSA-N 0 1 316.424 3.698 20 10 DHCDMN C[C@H](NCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000926919353 1032769368 /nfs/dbraw/zinc/76/93/68/1032769368.db2.gz MYHNIMFFBSSGHP-JTQLQIEISA-N 0 1 306.406 3.717 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)CC(F)F ZINC000706857860 1018765908 /nfs/dbraw/zinc/76/59/08/1018765908.db2.gz JRKNDNNVBZFCKM-MRVPVSSYSA-N 0 1 308.166 3.536 20 10 DHCDMN Oc1cccc(Br)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000707156897 1018784843 /nfs/dbraw/zinc/78/48/43/1018784843.db2.gz XQVSNVZWXNIHGX-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000707156897 1018784853 /nfs/dbraw/zinc/78/48/53/1018784853.db2.gz XQVSNVZWXNIHGX-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000707156897 1018784877 /nfs/dbraw/zinc/78/48/77/1018784877.db2.gz XQVSNVZWXNIHGX-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715718486 1018949827 /nfs/dbraw/zinc/94/98/27/1018949827.db2.gz NXVCEBFCGJMOIC-CYBMUJFWSA-N 0 1 316.214 3.914 20 10 DHCDMN CSC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134922447 1019051658 /nfs/dbraw/zinc/05/16/58/1019051658.db2.gz YFTMHUYYQVAVSX-BDAKNGLRSA-N 0 1 304.253 3.557 20 10 DHCDMN Cc1cc(CN2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000765723080 1019071598 /nfs/dbraw/zinc/07/15/98/1019071598.db2.gz DJNBLXFLGGXWMU-UHFFFAOYSA-N 0 1 303.446 3.753 20 10 DHCDMN COc1ccc(N(C)CCN(C)Cc2ccc(F)cc2F)cc1 ZINC001171730295 1032847271 /nfs/dbraw/zinc/84/72/71/1032847271.db2.gz SWWYALJVDRVFDN-UHFFFAOYSA-N 0 1 320.383 3.542 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922215943 1019893445 /nfs/dbraw/zinc/89/34/45/1019893445.db2.gz GLFCCZDWZBGCSW-VIFPVBQESA-N 0 1 321.808 3.506 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2c(C)cc(CO)cc2C)c(Cl)c1 ZINC000922562693 1020127591 /nfs/dbraw/zinc/12/75/91/1020127591.db2.gz OTQIGQPNLJVCOE-UHFFFAOYSA-N 0 1 319.832 3.753 20 10 DHCDMN CC[NH+](CC)Cc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731868600 1020165140 /nfs/dbraw/zinc/16/51/40/1020165140.db2.gz KSWQVTBRLBBGBJ-UHFFFAOYSA-N 0 1 304.415 3.548 20 10 DHCDMN Cc1cc(C)cc(OCC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733325373 1020371960 /nfs/dbraw/zinc/37/19/60/1020371960.db2.gz KVLMDMIBFNCRAC-UHFFFAOYSA-N 0 1 305.805 3.831 20 10 DHCDMN Cc1cccc2c1N[C@H](c1cc(Cl)cc(Cl)c1O)NC2=O ZINC000027577891 1020406785 /nfs/dbraw/zinc/40/67/85/1020406785.db2.gz RHTSCTLGTDTPNO-AWEZNQCLSA-N 0 1 323.179 3.862 20 10 DHCDMN Cc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000163633515 1020612306 /nfs/dbraw/zinc/61/23/06/1020612306.db2.gz TXQJFHAQCLAZGQ-HNNXBMFYSA-N 0 1 316.470 3.992 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735323522 1020719236 /nfs/dbraw/zinc/71/92/36/1020719236.db2.gz BNMBXEJHWUSWRQ-ZDUSSCGKSA-N 0 1 301.817 3.940 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2c(C)noc2C)cc1 ZINC000177999658 1020886329 /nfs/dbraw/zinc/88/63/29/1020886329.db2.gz PBRFRIDYYVLYFX-UHFFFAOYSA-N 0 1 301.434 3.770 20 10 DHCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCCC2 ZINC000742390995 1021111373 /nfs/dbraw/zinc/11/13/73/1021111373.db2.gz YOHMQGNUAFLVGY-CVEARBPZSA-N 0 1 309.837 3.873 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000311042301 1021185542 /nfs/dbraw/zinc/18/55/42/1021185542.db2.gz GRVDBLUYEQNGSM-TXEJJXNPSA-N 0 1 310.235 3.777 20 10 DHCDMN CCc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000181471384 1021195448 /nfs/dbraw/zinc/19/54/48/1021195448.db2.gz NNFLHNHPVQCDEO-UHFFFAOYSA-N 0 1 304.202 3.725 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cnc3ccccc3n2)cc1 ZINC000917435465 1021264386 /nfs/dbraw/zinc/26/43/86/1021264386.db2.gz MMTZQFOOXNTVCH-UHFFFAOYSA-N 0 1 320.440 3.766 20 10 DHCDMN COc1ccc(CNCc2cccc(OC3CC3)c2F)cc1C ZINC000850113620 1021421287 /nfs/dbraw/zinc/42/12/87/1021421287.db2.gz OTRJZJRJKFRRBY-UHFFFAOYSA-N 0 1 315.388 3.974 20 10 DHCDMN C[C@@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1(F)F ZINC000850380286 1021499241 /nfs/dbraw/zinc/49/92/41/1021499241.db2.gz DLBYLQRVNABQQO-GFCCVEGCSA-N 0 1 320.177 3.680 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000850412463 1021518046 /nfs/dbraw/zinc/51/80/46/1021518046.db2.gz YMMCKFIZNZABFU-UGSOOPFHSA-N 0 1 319.832 3.608 20 10 DHCDMN COc1cccc(OC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850505731 1021566940 /nfs/dbraw/zinc/56/69/40/1021566940.db2.gz WSIPGPRIWNTUER-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN COc1cccc(OC)c1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000850505731 1021566947 /nfs/dbraw/zinc/56/69/47/1021566947.db2.gz WSIPGPRIWNTUER-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000850520965 1021575489 /nfs/dbraw/zinc/57/54/89/1021575489.db2.gz KOCWSGLYXIGRNH-NHYWBVRUSA-N 0 1 307.340 3.620 20 10 DHCDMN C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850572531 1021614594 /nfs/dbraw/zinc/61/45/94/1021614594.db2.gz LKPQSQNCVRMKAT-SECBINFHSA-N 0 1 302.321 3.632 20 10 DHCDMN C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000850572113 1021615166 /nfs/dbraw/zinc/61/51/66/1021615166.db2.gz BEFCEKSKCMUNAD-GFCCVEGCSA-N 0 1 324.852 3.522 20 10 DHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573060 1021616844 /nfs/dbraw/zinc/61/68/44/1021616844.db2.gz TZWNQFLKYTVPOW-HZPDHXFCSA-N 0 1 312.461 3.822 20 10 DHCDMN C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850585202 1021623907 /nfs/dbraw/zinc/62/39/07/1021623907.db2.gz WYPNYXCFUBYWPI-PRXAMGSTSA-N 0 1 305.805 3.818 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cnc(F)c(C)c2)cc1F ZINC000892948113 1021721306 /nfs/dbraw/zinc/72/13/06/1021721306.db2.gz MYBBIPQDBBEAJP-UHFFFAOYSA-N 0 1 319.399 3.804 20 10 DHCDMN CC(C)(C)OCCN(Cc1ccco1)Cc1ccccc1O ZINC000109761030 1021744672 /nfs/dbraw/zinc/74/46/72/1021744672.db2.gz SUIVGUJEDHDWHJ-UHFFFAOYSA-N 0 1 303.402 3.803 20 10 DHCDMN C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756363391 1022093623 /nfs/dbraw/zinc/09/36/23/1022093623.db2.gz OAGYBTPRNUACAS-QWHCGFSZSA-N 0 1 312.404 3.586 20 10 DHCDMN Cc1ccc(-c2cc(CN(C)Cc3ccccc3O)on2)cc1 ZINC000111236209 1022253369 /nfs/dbraw/zinc/25/33/69/1022253369.db2.gz VYRDWSKVBQXDMK-UHFFFAOYSA-N 0 1 308.381 3.988 20 10 DHCDMN C[C@@H]1c2ccccc2OCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853630176 1022301984 /nfs/dbraw/zinc/30/19/84/1022301984.db2.gz DCJHGVXJQDUIIS-CQSZACIVSA-N 0 1 320.392 3.896 20 10 DHCDMN C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853630176 1022301998 /nfs/dbraw/zinc/30/19/98/1022301998.db2.gz DCJHGVXJQDUIIS-CQSZACIVSA-N 0 1 320.392 3.896 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000691441442 1022693820 /nfs/dbraw/zinc/69/38/20/1022693820.db2.gz WXBSXRHVTGHFQM-LBPRGKRZSA-N 0 1 316.264 3.530 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCCCS1 ZINC000691441441 1022694372 /nfs/dbraw/zinc/69/43/72/1022694372.db2.gz WXBSXRHVTGHFQM-GFCCVEGCSA-N 0 1 316.264 3.530 20 10 DHCDMN CCC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC000068973652 1022823191 /nfs/dbraw/zinc/82/31/91/1022823191.db2.gz BITWFBZXMKRDLJ-UHFFFAOYSA-N 0 1 309.413 3.761 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc(C(F)F)nc2)cc1 ZINC000876511483 1033084014 /nfs/dbraw/zinc/08/40/14/1033084014.db2.gz JXBADQJZULKEQV-UHFFFAOYSA-N 0 1 305.372 3.717 20 10 DHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001237802169 1022861808 /nfs/dbraw/zinc/86/18/08/1022861808.db2.gz YTKHDOZTWLBCTI-AOOOYVTPSA-N 0 1 305.727 3.662 20 10 DHCDMN COCC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000768159918 1022908573 /nfs/dbraw/zinc/90/85/73/1022908573.db2.gz IEZICZNNQLUHPS-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN COCC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000768159918 1022908582 /nfs/dbraw/zinc/90/85/82/1022908582.db2.gz IEZICZNNQLUHPS-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN COCCN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000768159918 1022908591 /nfs/dbraw/zinc/90/85/91/1022908591.db2.gz IEZICZNNQLUHPS-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000768257547 1022932137 /nfs/dbraw/zinc/93/21/37/1022932137.db2.gz LWWNKMOCFPWNJE-UHFFFAOYSA-N 0 1 324.424 3.646 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2cc3c(cc2O)CCCC3)no1 ZINC000768442406 1022967673 /nfs/dbraw/zinc/96/76/73/1022967673.db2.gz UWSRTGKWXBWJMB-SFHVURJKSA-N 0 1 312.413 3.905 20 10 DHCDMN COc1cc(CN(C)Cc2ccc(F)cc2F)c(O)cc1C ZINC000768440882 1022968999 /nfs/dbraw/zinc/96/89/99/1022968999.db2.gz HJDCUWXJPBCFHJ-UHFFFAOYSA-N 0 1 307.340 3.619 20 10 DHCDMN COc1cc(CN2CC[C@@H]2c2cccc(F)c2)c(O)cc1C ZINC000768465276 1022972676 /nfs/dbraw/zinc/97/26/76/1022972676.db2.gz FGNMEQJTUILWOZ-MRXNPFEDSA-N 0 1 301.361 3.795 20 10 DHCDMN CN(C)c1ccc(CNCc2nc3ccccc3n2C2CC2)cc1 ZINC000184778716 1023115840 /nfs/dbraw/zinc/11/58/40/1023115840.db2.gz PZBBKPKMIJVHHO-UHFFFAOYSA-N 0 1 320.440 3.727 20 10 DHCDMN COc1cc(Cl)c(CN(C)Cc2ccccc2O)cc1OC ZINC000876615646 1033107379 /nfs/dbraw/zinc/10/73/79/1033107379.db2.gz JYFLOCRLQQDWSW-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000769390561 1023139759 /nfs/dbraw/zinc/13/97/59/1023139759.db2.gz YXYBJDZXSKXZIK-NSHDSACASA-N 0 1 322.202 3.737 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cccnc1)c1cc(Br)ccc1[O-] ZINC000020140968 1023143248 /nfs/dbraw/zinc/14/32/48/1023143248.db2.gz XLHHLINCMLZWDP-CQSZACIVSA-N 0 1 321.218 3.791 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000769426693 1023146841 /nfs/dbraw/zinc/14/68/41/1023146841.db2.gz VXHXZLGSMQGVFO-UHFFFAOYSA-N 0 1 300.450 3.668 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000769447597 1023156510 /nfs/dbraw/zinc/15/65/10/1023156510.db2.gz YOBPFWIPCAHIAD-FQEVSTJZSA-N 0 1 310.441 3.635 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000769468196 1023161269 /nfs/dbraw/zinc/16/12/69/1023161269.db2.gz CHFKTHAILHLJMI-UHFFFAOYSA-N 0 1 316.228 3.844 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000769468196 1023161273 /nfs/dbraw/zinc/16/12/73/1023161273.db2.gz CHFKTHAILHLJMI-UHFFFAOYSA-N 0 1 316.228 3.844 20 10 DHCDMN CN(C)c1ccc(CN2CCCC[C@H]2c2cccn2C)cc1F ZINC000769538080 1023175463 /nfs/dbraw/zinc/17/54/63/1023175463.db2.gz RGGFTNWLOGNVJF-IBGZPJMESA-N 0 1 315.436 3.957 20 10 DHCDMN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000756609933 1023178601 /nfs/dbraw/zinc/17/86/01/1023178601.db2.gz OQBJIJPGXRAWIJ-LLVKDONJSA-N 0 1 320.776 3.847 20 10 DHCDMN CCn1nc(CNCc2ccc(N(C)C)cc2C)c2ccccc21 ZINC000769915026 1023232482 /nfs/dbraw/zinc/23/24/82/1023232482.db2.gz UYCPTRNSOWXLFY-UHFFFAOYSA-N 0 1 322.456 3.720 20 10 DHCDMN Oc1ccccc1CN1CCc2c(Br)cccc2C1 ZINC000770510674 1023316716 /nfs/dbraw/zinc/31/67/16/1023316716.db2.gz PHRLTXXVOLHURJ-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000771170862 1023406228 /nfs/dbraw/zinc/40/62/28/1023406228.db2.gz LSIRXHKABAHKMN-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000771170862 1023406235 /nfs/dbraw/zinc/40/62/35/1023406235.db2.gz LSIRXHKABAHKMN-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093558690 1023774052 /nfs/dbraw/zinc/77/40/52/1023774052.db2.gz GBLNBIAKQWDEKS-SECBINFHSA-N 0 1 318.826 3.527 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000788544184 1023903272 /nfs/dbraw/zinc/90/32/72/1023903272.db2.gz CZGPYFRCKDOGOR-HXUWFJFHSA-N 0 1 310.441 3.894 20 10 DHCDMN CC[C@@H](NCc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268784828 1024160596 /nfs/dbraw/zinc/16/05/96/1024160596.db2.gz BXVMEXXEWGAWAJ-MRXNPFEDSA-N 0 1 314.458 3.703 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000268824306 1024171762 /nfs/dbraw/zinc/17/17/62/1024171762.db2.gz IQIUQQFQJFFWQK-LBPRGKRZSA-N 0 1 312.200 3.589 20 10 DHCDMN C[C@H](c1ccco1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000131022132 1024248464 /nfs/dbraw/zinc/24/84/64/1024248464.db2.gz KZRUBLAAGLUGAG-SNVBAGLBSA-N 0 1 310.191 3.941 20 10 DHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000131022132 1024248486 /nfs/dbraw/zinc/24/84/86/1024248486.db2.gz KZRUBLAAGLUGAG-SNVBAGLBSA-N 0 1 310.191 3.941 20 10 DHCDMN Cc1cc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)n(C)n1 ZINC000790601858 1024334425 /nfs/dbraw/zinc/33/44/25/1024334425.db2.gz PYFQMOXOKHSAAE-UHFFFAOYSA-N 0 1 322.456 3.734 20 10 DHCDMN CCOc1cccc(CN[C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883383299 1024418116 /nfs/dbraw/zinc/41/81/16/1024418116.db2.gz WMVZAGVPXNBWSC-WMZOPIPTSA-N 0 1 315.388 3.906 20 10 DHCDMN CC(C)n1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000271041861 1024448067 /nfs/dbraw/zinc/44/80/67/1024448067.db2.gz JGJRBFKLWYWYEA-UHFFFAOYSA-N 0 1 312.461 3.695 20 10 DHCDMN Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361107 1024494558 /nfs/dbraw/zinc/49/45/58/1024494558.db2.gz NHEOKKAHCQYVOL-HKUYNNGSSA-N 0 1 315.388 3.619 20 10 DHCDMN CCc1nc(CN(C)Cc2c(O)ccc(Cl)c2F)cs1 ZINC000792163715 1024639214 /nfs/dbraw/zinc/63/92/14/1024639214.db2.gz BWHZYCPUGNAAQG-UHFFFAOYSA-N 0 1 314.813 3.836 20 10 DHCDMN COC1CCC([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166964 1024642172 /nfs/dbraw/zinc/64/21/72/1024642172.db2.gz WXQUJJGRQPUVIC-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689884966 1024696538 /nfs/dbraw/zinc/69/65/38/1024696538.db2.gz YEXPAWWJPFGTBO-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689884966 1024696548 /nfs/dbraw/zinc/69/65/48/1024696548.db2.gz YEXPAWWJPFGTBO-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN C[C@H]1COCCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000772822691 1024838217 /nfs/dbraw/zinc/83/82/17/1024838217.db2.gz INKSTJICSJGXIB-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@H]1COCCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000772822691 1024838230 /nfs/dbraw/zinc/83/82/30/1024838230.db2.gz INKSTJICSJGXIB-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cccnc2)c(C(F)(F)F)c1 ZINC000793062269 1024874158 /nfs/dbraw/zinc/87/41/58/1024874158.db2.gz QARHALIXSRVLQA-UHFFFAOYSA-N 0 1 323.362 3.798 20 10 DHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000793214298 1024934569 /nfs/dbraw/zinc/93/45/69/1024934569.db2.gz MMKZGKQDBCTXOR-XPTSAGLGSA-N 0 1 316.228 3.698 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000793214298 1024934579 /nfs/dbraw/zinc/93/45/79/1024934579.db2.gz MMKZGKQDBCTXOR-XPTSAGLGSA-N 0 1 316.228 3.698 20 10 DHCDMN CCN(Cc1ccccc1O)Cc1cc2ccccc2nc1OC ZINC001137206946 1024984767 /nfs/dbraw/zinc/98/47/67/1024984767.db2.gz RYPHJRPSQVRSGG-UHFFFAOYSA-N 0 1 322.408 3.971 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000793370739 1025010618 /nfs/dbraw/zinc/01/06/18/1025010618.db2.gz QXDUGPVTISIXGP-CYBMUJFWSA-N 0 1 322.405 3.567 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](C)SC)c1cc(Br)ccc1[O-] ZINC000136162756 1025385764 /nfs/dbraw/zinc/38/57/64/1025385764.db2.gz SRTCWVRMTHUJIV-BXKDBHETSA-N 0 1 318.280 3.947 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCOC2(CCC2)C1 ZINC000886342821 1025596364 /nfs/dbraw/zinc/59/63/64/1025596364.db2.gz KIRNUDLPFLYPFQ-MRXNPFEDSA-N 0 1 309.837 3.875 20 10 DHCDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])o1 ZINC000877395904 1033294594 /nfs/dbraw/zinc/29/45/94/1033294594.db2.gz PBDRBTZOGAFQTD-AWEZNQCLSA-N 0 1 323.339 3.747 20 10 DHCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000893995483 1025638744 /nfs/dbraw/zinc/63/87/44/1025638744.db2.gz LWLBQVFRGHZCBY-KRWDZBQOSA-N 0 1 319.351 3.634 20 10 DHCDMN CCCN1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000806128300 1025792771 /nfs/dbraw/zinc/79/27/71/1025792771.db2.gz QQRQVOMBESSYDE-INIZCTEOSA-N 0 1 310.869 3.961 20 10 DHCDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1O ZINC000841746330 1026031961 /nfs/dbraw/zinc/03/19/61/1026031961.db2.gz DQGWVDIHGJBHIB-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN CC[C@H](C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839967 1026123538 /nfs/dbraw/zinc/12/35/38/1026123538.db2.gz NZQGTESLVJQYKE-IUCAKERBSA-N 0 1 304.217 3.997 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)o1 ZINC000807834111 1026129704 /nfs/dbraw/zinc/12/97/04/1026129704.db2.gz JMQFXBCUEZWFLU-UHFFFAOYSA-N 0 1 320.559 3.875 20 10 DHCDMN Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000245717939 1026160220 /nfs/dbraw/zinc/16/02/20/1026160220.db2.gz HJIQAJRQSCZMRF-SUMWQHHRSA-N 0 1 303.427 3.724 20 10 DHCDMN O=[N+]([O-])c1cccnc1NCc1cc(Cl)cc(Cl)c1O ZINC000808086809 1026199861 /nfs/dbraw/zinc/19/98/61/1026199861.db2.gz HYNJDKJVHUGTQE-UHFFFAOYSA-N 0 1 314.128 3.614 20 10 DHCDMN CCc1nsc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808088895 1026201628 /nfs/dbraw/zinc/20/16/28/1026201628.db2.gz FOXGZKFXRNOKEK-UHFFFAOYSA-N 0 1 304.202 3.725 20 10 DHCDMN CSc1cncc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808089081 1026202100 /nfs/dbraw/zinc/20/21/00/1026202100.db2.gz HGTZJYMWZJGZKT-UHFFFAOYSA-N 0 1 316.213 3.823 20 10 DHCDMN O=[N+]([O-])c1cnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000808090016 1026202577 /nfs/dbraw/zinc/20/25/77/1026202577.db2.gz OYMRCZSHMXTONU-UHFFFAOYSA-N 0 1 320.157 3.676 20 10 DHCDMN Cc1cc2c(NCc3cc(Cl)cc(Cl)c3O)nccn2n1 ZINC000808089056 1026202973 /nfs/dbraw/zinc/20/29/73/1026202973.db2.gz OQYOTAXYUWKSOZ-UHFFFAOYSA-N 0 1 323.183 3.662 20 10 DHCDMN O=[N+]([O-])c1ncccc1NCc1cc(Cl)cc(Cl)c1O ZINC000808088917 1026203164 /nfs/dbraw/zinc/20/31/64/1026203164.db2.gz GKCBLFKCDGJVKM-UHFFFAOYSA-N 0 1 314.128 3.614 20 10 DHCDMN CN(C)C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000808425437 1026273982 /nfs/dbraw/zinc/27/39/82/1026273982.db2.gz FKSWBUQQSFRTBR-INIZCTEOSA-N 0 1 322.811 3.577 20 10 DHCDMN COC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808453683 1026292883 /nfs/dbraw/zinc/29/28/83/1026292883.db2.gz JLJNIMYQKHTOSV-GOSISDBHSA-N 0 1 318.848 3.883 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2cn3ccccc3n2)c1O ZINC000808672444 1026353121 /nfs/dbraw/zinc/35/31/21/1026353121.db2.gz OARWYOPUYGKWEH-GFCCVEGCSA-N 0 1 315.804 3.853 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000280066232 1026581339 /nfs/dbraw/zinc/58/13/39/1026581339.db2.gz LTLULFYMBUDHSD-NXEZZACHSA-N 0 1 316.264 3.558 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000809693351 1026585185 /nfs/dbraw/zinc/58/51/85/1026585185.db2.gz UHCZCERKEOSDOG-CYBMUJFWSA-N 0 1 309.772 3.635 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809728661 1026595942 /nfs/dbraw/zinc/59/59/42/1026595942.db2.gz DZKWEZIFNWMYFM-HNNXBMFYSA-N 0 1 306.768 3.917 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728653 1026596001 /nfs/dbraw/zinc/59/60/01/1026596001.db2.gz DQAQSCJYDKROEB-OAHLLOKOSA-N 0 1 306.768 3.917 20 10 DHCDMN CN(C)c1ccc(CN(Cc2ccn(C)c2)Cc2ccco2)cc1 ZINC000809731029 1026597093 /nfs/dbraw/zinc/59/70/93/1026597093.db2.gz AGWCTYGFFUCPQN-UHFFFAOYSA-N 0 1 323.440 3.887 20 10 DHCDMN CC[C@H]([NH2+]CCOCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216545 1026708886 /nfs/dbraw/zinc/70/88/86/1026708886.db2.gz KMPPOQHCZNZMMW-AWEZNQCLSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217208 1026709363 /nfs/dbraw/zinc/70/93/63/1026709363.db2.gz YTJVIYBOWNPJDI-DGCLKSJQSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218078 1026710154 /nfs/dbraw/zinc/71/01/54/1026710154.db2.gz OLPJVOGDLDJRTC-VZJVUDMVSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226383 1026713177 /nfs/dbraw/zinc/71/31/77/1026713177.db2.gz FEODHXXCYZHEIZ-CMPLNLGQSA-N 0 1 305.365 3.957 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217210 1026710334 /nfs/dbraw/zinc/71/03/34/1026710334.db2.gz YTJVIYBOWNPJDI-YPMHNXCESA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220226 1026711368 /nfs/dbraw/zinc/71/13/68/1026711368.db2.gz SEAPUSXOKLUGNM-GYSYKLTISA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@H]([NH2+]CC(C)(C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224034 1026711788 /nfs/dbraw/zinc/71/17/88/1026711788.db2.gz RBOVRFFACYQMER-LBPRGKRZSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221767 1026711850 /nfs/dbraw/zinc/71/18/50/1026711850.db2.gz UBDGQDPWFUBUMB-CQSZACIVSA-N 0 1 312.335 3.990 20 10 DHCDMN CC[C@H](C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-])OC ZINC000810261057 1026719868 /nfs/dbraw/zinc/71/98/68/1026719868.db2.gz SVPGPPRVLNMUDH-DGCLKSJQSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]CCOC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236252 1026725309 /nfs/dbraw/zinc/72/53/09/1026725309.db2.gz AXVYONNQMAGRBN-CYBMUJFWSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237075 1026723592 /nfs/dbraw/zinc/72/35/92/1026723592.db2.gz DWFZSVAQBDOXGE-MFKMUULPSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237986 1026726425 /nfs/dbraw/zinc/72/64/25/1026726425.db2.gz HCBSAXUJSBOQLJ-CYBMUJFWSA-N 0 1 317.351 3.614 20 10 DHCDMN CC[C@@H](NCc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894246230 1026770415 /nfs/dbraw/zinc/77/04/15/1026770415.db2.gz KGXOCYBBSTZTHI-CYBMUJFWSA-N 0 1 306.431 3.715 20 10 DHCDMN CCc1nc(C)c(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813886388 1027754806 /nfs/dbraw/zinc/75/48/06/1027754806.db2.gz AZHRSHAKRFLHDQ-CABZTGNLSA-N 0 1 304.365 3.728 20 10 DHCDMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000779025938 1027920004 /nfs/dbraw/zinc/92/00/04/1027920004.db2.gz QPUQRJJOWMBTCV-CQSZACIVSA-N 0 1 317.404 3.851 20 10 DHCDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1cocn1 ZINC000815606039 1028582003 /nfs/dbraw/zinc/58/20/03/1028582003.db2.gz MBFSRPBVPLBSHA-GOSISDBHSA-N 0 1 308.381 3.844 20 10 DHCDMN COC(=O)CC[N@@H+](Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000816492278 1028896201 /nfs/dbraw/zinc/89/62/01/1028896201.db2.gz NOSILJFNCOBFQC-UHFFFAOYSA-N 0 1 315.413 3.567 20 10 DHCDMN COC(=O)CC[N@H+](Cc1ccc2ccccc2c1[O-])CC(C)C ZINC000816492278 1028896212 /nfs/dbraw/zinc/89/62/12/1028896212.db2.gz NOSILJFNCOBFQC-UHFFFAOYSA-N 0 1 315.413 3.567 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2cccc(F)c2)ccc2ccccc12 ZINC000816543770 1028926587 /nfs/dbraw/zinc/92/65/87/1028926587.db2.gz NJWNKJKRVHBFIZ-GOSISDBHSA-N 0 1 311.356 3.508 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccc(F)cc2)ccc2ccccc12 ZINC000816528905 1028935548 /nfs/dbraw/zinc/93/55/48/1028935548.db2.gz XCNJEBNAPPVYQW-SFHVURJKSA-N 0 1 311.356 3.508 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2ccc(Cl)nc2)ccc2ccccc21 ZINC000816556612 1028942516 /nfs/dbraw/zinc/94/25/16/1028942516.db2.gz ONCCLNLWKKXJRR-UHFFFAOYSA-N 0 1 312.800 3.926 20 10 DHCDMN O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816562277 1028946036 /nfs/dbraw/zinc/94/60/36/1028946036.db2.gz FRQLXVYGPUBICT-UHFFFAOYSA-N 0 1 308.337 3.743 20 10 DHCDMN CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559596 1028946455 /nfs/dbraw/zinc/94/64/55/1028946455.db2.gz OVOGLOVYTTTXOA-GOSISDBHSA-N 0 1 301.430 3.678 20 10 DHCDMN COC(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816610339 1028961872 /nfs/dbraw/zinc/96/18/72/1028961872.db2.gz HIXATLSRVPHSGA-UHFFFAOYSA-N 0 1 321.376 3.622 20 10 DHCDMN OC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC000816637300 1028967848 /nfs/dbraw/zinc/96/78/48/1028967848.db2.gz ZEYKVEIAWJZNHP-LLVKDONJSA-N 0 1 324.207 3.795 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816656307 1028980660 /nfs/dbraw/zinc/98/06/60/1028980660.db2.gz NIHZCQSAOXOCEB-HXUWFJFHSA-N 0 1 323.436 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816656307 1028980678 /nfs/dbraw/zinc/98/06/78/1028980678.db2.gz NIHZCQSAOXOCEB-HXUWFJFHSA-N 0 1 323.436 3.936 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419823 1029154309 /nfs/dbraw/zinc/15/43/09/1029154309.db2.gz YQQRHKDQJQYWQX-LLVKDONJSA-N 0 1 318.244 3.684 20 10 DHCDMN CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779346118 1029169422 /nfs/dbraw/zinc/16/94/22/1029169422.db2.gz UZAIMCUGTKBNAI-GOSISDBHSA-N 0 1 319.399 3.913 20 10 DHCDMN CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965454 1029304360 /nfs/dbraw/zinc/30/43/60/1029304360.db2.gz VBGRGASKEILZJH-NSHDSACASA-N 0 1 303.233 3.621 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000817974692 1029311092 /nfs/dbraw/zinc/31/10/92/1029311092.db2.gz NRGPHVOKPWTMPL-PXAZEXFGSA-N 0 1 316.832 3.583 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865725847 1029992999 /nfs/dbraw/zinc/99/29/99/1029992999.db2.gz DVFDJJZFCINOND-INIZCTEOSA-N 0 1 309.837 3.875 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@](C)(O)c1ccccc1 ZINC000822516579 1030055137 /nfs/dbraw/zinc/05/51/37/1030055137.db2.gz MSHSMNVSULQLRC-KRWDZBQOSA-N 0 1 323.795 3.524 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc2ccccc2c1[O-] ZINC000866445086 1030297082 /nfs/dbraw/zinc/29/70/82/1030297082.db2.gz NAKIEQRZXDTCTE-AZPRDAFXSA-N 0 1 309.409 3.619 20 10 DHCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc2ccccc2c1[O-] ZINC000866445087 1030298037 /nfs/dbraw/zinc/29/80/37/1030298037.db2.gz NAKIEQRZXDTCTE-FOUKNCHNSA-N 0 1 309.409 3.619 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000866528244 1030346640 /nfs/dbraw/zinc/34/66/40/1030346640.db2.gz CIPVXBUJULJMRO-IPYPFGDCSA-N 0 1 319.420 3.876 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc2ccccc2c1[O-] ZINC000866632831 1030414168 /nfs/dbraw/zinc/41/41/68/1030414168.db2.gz CFIWNQKUDNLJGE-DYVFJYSZSA-N 0 1 307.397 3.928 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000824921081 1030674629 /nfs/dbraw/zinc/67/46/29/1030674629.db2.gz DXKJHEONZGBIMQ-ICCXJUOJSA-N 0 1 305.340 3.611 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939591 1030677074 /nfs/dbraw/zinc/67/70/74/1030677074.db2.gz YCUQMCXXHQXJKQ-KGLIPLIRSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939591 1030677080 /nfs/dbraw/zinc/67/70/80/1030677080.db2.gz YCUQMCXXHQXJKQ-KGLIPLIRSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939591 1030677087 /nfs/dbraw/zinc/67/70/87/1030677087.db2.gz YCUQMCXXHQXJKQ-KGLIPLIRSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1Cl ZINC000825077846 1030720368 /nfs/dbraw/zinc/72/03/68/1030720368.db2.gz JZZPTAZPYRLXKV-AWEZNQCLSA-N 0 1 318.804 3.622 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1Cl ZINC000825085520 1030720836 /nfs/dbraw/zinc/72/08/36/1030720836.db2.gz YKXYYJGWJMJXRT-HNNXBMFYSA-N 0 1 324.877 3.808 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000825144941 1030733329 /nfs/dbraw/zinc/73/33/29/1030733329.db2.gz SWCVNPYIISENCV-UHFFFAOYSA-N 0 1 305.752 3.686 20 10 DHCDMN CCc1nc(C)c(CN[C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000291997153 1030748312 /nfs/dbraw/zinc/74/83/12/1030748312.db2.gz XIDVNRYNDONCJL-MRXNPFEDSA-N 0 1 301.434 3.852 20 10 DHCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1(O)CCCC1 ZINC000825239651 1030756210 /nfs/dbraw/zinc/75/62/10/1030756210.db2.gz AIFCIGCCEIZDCK-UHFFFAOYSA-N 0 1 313.441 3.966 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000825228699 1030756922 /nfs/dbraw/zinc/75/69/22/1030756922.db2.gz ZOZHEUIUXWRKCQ-UHFFFAOYSA-N 0 1 318.214 3.934 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000825232045 1030756959 /nfs/dbraw/zinc/75/69/59/1030756959.db2.gz LLYSPSFZCZSZQB-LEWSCRJBSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(N(C)C)c2)cc1Cl ZINC000825241323 1030758801 /nfs/dbraw/zinc/75/88/01/1030758801.db2.gz QPKVRTZLEHPVMJ-UHFFFAOYSA-N 0 1 304.821 3.710 20 10 DHCDMN COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC000825279873 1030763882 /nfs/dbraw/zinc/76/38/82/1030763882.db2.gz ZEBKVEDEVMIORA-INIZCTEOSA-N 0 1 305.805 3.831 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1c(C)nn(C)c1C ZINC000825325447 1030774252 /nfs/dbraw/zinc/77/42/52/1030774252.db2.gz FEANKZMNLMLKLA-OAHLLOKOSA-N 0 1 321.852 3.945 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1c(C)nn(C)c1C ZINC000825325446 1030775767 /nfs/dbraw/zinc/77/57/67/1030775767.db2.gz FEANKZMNLMLKLA-HNNXBMFYSA-N 0 1 321.852 3.945 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1Cl ZINC000825489014 1030824115 /nfs/dbraw/zinc/82/41/15/1030824115.db2.gz BHSDSEVRWHHTPB-AWEZNQCLSA-N 0 1 309.837 3.603 20 10 DHCDMN CC(C)Oc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000844321705 1031067025 /nfs/dbraw/zinc/06/70/25/1031067025.db2.gz HFGDXIAQUDAFRH-OAHLLOKOSA-N 0 1 313.445 3.786 20 10 DHCDMN CCCc1nc(C)c(CNCc2cc(Cl)cc(OC)c2O)o1 ZINC000292757644 1031158483 /nfs/dbraw/zinc/15/84/83/1031158483.db2.gz JDRZOHGTIGARMN-UHFFFAOYSA-N 0 1 324.808 3.593 20 10 DHCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001308811840 1031296853 /nfs/dbraw/zinc/29/68/53/1031296853.db2.gz AHOPBRMPHJCDBE-LBPRGKRZSA-N 0 1 301.789 3.576 20 10 DHCDMN Cc1ccoc1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000293288268 1031411412 /nfs/dbraw/zinc/41/14/12/1031411412.db2.gz DEHBEVBGADBREH-JTQLQIEISA-N 0 1 310.191 3.907 20 10 DHCDMN Oc1cc(F)c(Br)cc1CN1CCCC(F)(F)C1 ZINC001144298825 1031436732 /nfs/dbraw/zinc/43/67/32/1031436732.db2.gz KDLYFXHZRBJACJ-UHFFFAOYSA-N 0 1 324.140 3.525 20 10 DHCDMN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc2ccccc2c1[O-] ZINC000872111652 1031502843 /nfs/dbraw/zinc/50/28/43/1031502843.db2.gz FNVKOTSLEGHRFJ-HIFRSBDPSA-N 0 1 313.397 3.539 20 10 DHCDMN CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293538743 1031505200 /nfs/dbraw/zinc/50/52/00/1031505200.db2.gz CPMCJYYVRFZUBO-UHFFFAOYSA-N 0 1 315.200 3.881 20 10 DHCDMN Oc1ccc(Br)cc1CNc1ccc2nc[nH]c2c1 ZINC001171175797 1031534736 /nfs/dbraw/zinc/53/47/36/1031534736.db2.gz DTJMUWDWSLQCEF-UHFFFAOYSA-N 0 1 318.174 3.643 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260405 1031565016 /nfs/dbraw/zinc/56/50/16/1031565016.db2.gz PSMDERGAMPMJSU-INIZCTEOSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260405 1031565028 /nfs/dbraw/zinc/56/50/28/1031565028.db2.gz PSMDERGAMPMJSU-INIZCTEOSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCc2sccc2C1 ZINC000124290073 1031672965 /nfs/dbraw/zinc/67/29/65/1031672965.db2.gz LGIKMZNXCAAYRK-UHFFFAOYSA-N 0 1 324.243 3.775 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000845971829 1031789301 /nfs/dbraw/zinc/78/93/01/1031789301.db2.gz NFPODQYMYLKZGZ-NSHDSACASA-N 0 1 318.442 3.587 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104145 1031880073 /nfs/dbraw/zinc/88/00/73/1031880073.db2.gz FKQXNDFVYPRDHZ-AWEZNQCLSA-N 0 1 301.764 3.975 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000846104145 1031880090 /nfs/dbraw/zinc/88/00/90/1031880090.db2.gz FKQXNDFVYPRDHZ-AWEZNQCLSA-N 0 1 301.764 3.975 20 10 DHCDMN CC1(C)CC2(CC([NH2+]Cc3ccc4ccccc4c3[O-])C2)CO1 ZINC000897970104 1031884440 /nfs/dbraw/zinc/88/44/40/1031884440.db2.gz FNURTHXCBFTHNU-UHFFFAOYSA-N 0 1 311.425 3.983 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000846187090 1031919840 /nfs/dbraw/zinc/91/98/40/1031919840.db2.gz IEZQUWQOJSPUFA-PRIMNGNOSA-N 0 1 319.420 3.874 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898072209 1031942816 /nfs/dbraw/zinc/94/28/16/1031942816.db2.gz ZYVKKTASXIBXJC-NSHDSACASA-N 0 1 308.834 3.567 20 10 DHCDMN C[C@]12CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]1C2(Cl)Cl ZINC000877506727 1033329029 /nfs/dbraw/zinc/32/90/29/1033329029.db2.gz CPIKXRBBLBKJLR-MFKMUULPSA-N 0 1 322.182 3.686 20 10 DHCDMN C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877563012 1033358358 /nfs/dbraw/zinc/35/83/58/1033358358.db2.gz FAVAEYYTZAOKPC-WPRPVWTQSA-N 0 1 309.278 3.833 20 10 DHCDMN CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612017 1033382069 /nfs/dbraw/zinc/38/20/69/1033382069.db2.gz AWMCSJPHKWNKNW-GIPWTMENSA-N 0 1 319.769 3.858 20 10 DHCDMN CCCCN(Cc1nccn1CC(F)F)Cc1ccccc1O ZINC000878566018 1033753575 /nfs/dbraw/zinc/75/35/75/1033753575.db2.gz YOLSCZFQOZPFSR-UHFFFAOYSA-N 0 1 323.387 3.656 20 10 DHCDMN Oc1cccc(Br)c1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000862211141 1033779419 /nfs/dbraw/zinc/77/94/19/1033779419.db2.gz CRRDUMMDOPAEQJ-CQSZACIVSA-N 0 1 321.218 3.820 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000862211141 1033779429 /nfs/dbraw/zinc/77/94/29/1033779429.db2.gz CRRDUMMDOPAEQJ-CQSZACIVSA-N 0 1 321.218 3.820 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000862211141 1033779440 /nfs/dbraw/zinc/77/94/40/1033779440.db2.gz CRRDUMMDOPAEQJ-CQSZACIVSA-N 0 1 321.218 3.820 20 10 DHCDMN CSCC[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862246744 1033792875 /nfs/dbraw/zinc/79/28/75/1033792875.db2.gz BZRLLPAGWQFHHH-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862246744 1033792889 /nfs/dbraw/zinc/79/28/89/1033792889.db2.gz BZRLLPAGWQFHHH-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN CN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000862368860 1033831891 /nfs/dbraw/zinc/83/18/91/1033831891.db2.gz MXZMQGGQAGDFEP-GFCCVEGCSA-N 0 1 317.260 3.661 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120467 1034118615 /nfs/dbraw/zinc/11/86/15/1034118615.db2.gz DQFDUNOOXGACKG-RDJZCZTQSA-N 0 1 317.816 3.662 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120467 1034118619 /nfs/dbraw/zinc/11/86/19/1034118619.db2.gz DQFDUNOOXGACKG-RDJZCZTQSA-N 0 1 317.816 3.662 20 10 DHCDMN O=C(c1ccncc1)c1ccccc1Nc1ccc2nccn2c1 ZINC001174279620 1034242882 /nfs/dbraw/zinc/24/28/82/1034242882.db2.gz DVDGDAFDQDOFAP-UHFFFAOYSA-N 0 1 314.348 3.704 20 10 DHCDMN COCc1nc2cc(NCc3ccc(F)c(F)c3O)ccc2o1 ZINC000864021659 1034261503 /nfs/dbraw/zinc/26/15/03/1034261503.db2.gz DBPYBRPLECKTIL-UHFFFAOYSA-N 0 1 320.295 3.570 20 10 DHCDMN Oc1c(CNc2ccc(N3CCCC3)cc2)ccc(F)c1F ZINC000864025468 1034262498 /nfs/dbraw/zinc/26/24/98/1034262498.db2.gz RQDVWDOINQTYBX-UHFFFAOYSA-N 0 1 304.340 3.883 20 10 DHCDMN Oc1c(CNc2cccc(-c3ncco3)c2)ccc(F)c1F ZINC000864030173 1034264395 /nfs/dbraw/zinc/26/43/95/1034264395.db2.gz IUQQPJITDDTJFA-UHFFFAOYSA-N 0 1 302.280 3.938 20 10 DHCDMN C[C@H](c1ccccc1)N(Cc1ccnn1C)Cc1ccccc1O ZINC000179642130 1034320215 /nfs/dbraw/zinc/32/02/15/1034320215.db2.gz PNKCMGCTWWRZAQ-MRXNPFEDSA-N 0 1 321.424 3.889 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Br)cc1[O-] ZINC000184845971 1034504197 /nfs/dbraw/zinc/50/41/97/1034504197.db2.gz KLWOQJWIARPEAX-MNOVXSKESA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000185162262 1034533442 /nfs/dbraw/zinc/53/34/42/1034533442.db2.gz VYIOMOOTRKYWAI-QLJPJBMISA-N 0 1 309.768 3.569 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211406694 1034545336 /nfs/dbraw/zinc/54/53/36/1034545336.db2.gz MNVOLRLYCCQEOP-RISCZKNCSA-N 0 1 310.235 3.919 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000185548179 1034557713 /nfs/dbraw/zinc/55/77/13/1034557713.db2.gz LCDQWQPRTYHNLP-WBMJQRKESA-N 0 1 319.401 3.595 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(C)cc2O)o1 ZINC000185548461 1034557856 /nfs/dbraw/zinc/55/78/56/1034557856.db2.gz WAFKCFGQRQOVIN-XJKSGUPXSA-N 0 1 303.402 3.894 20 10 DHCDMN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000794834042 1034565362 /nfs/dbraw/zinc/56/53/62/1034565362.db2.gz WPQPONMEAHMAQU-HUUCEWRRSA-N 0 1 300.446 3.926 20 10 DHCDMN C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185739061 1034569775 /nfs/dbraw/zinc/56/97/75/1034569775.db2.gz ZFFVSBSMLMTRBH-OFQRWUPVSA-N 0 1 317.404 3.737 20 10 DHCDMN Nc1ccc(N(Cc2ccccc2)c2ccc3nn[nH]c3c2)cc1 ZINC001176003412 1035182233 /nfs/dbraw/zinc/18/22/33/1035182233.db2.gz DSCYWEMCUSOYOL-UHFFFAOYSA-N 0 1 315.380 3.878 20 10 DHCDMN Nc1ccc(N(Cc2ccccc2)c2ccc3n[nH]nc3c2)cc1 ZINC001176003412 1035182237 /nfs/dbraw/zinc/18/22/37/1035182237.db2.gz DSCYWEMCUSOYOL-UHFFFAOYSA-N 0 1 315.380 3.878 20 10 DHCDMN CSc1ccccc1NC(=S)NCc1ncccc1Cl ZINC001249710159 1035350565 /nfs/dbraw/zinc/35/05/65/1035350565.db2.gz QVHNNWFGHKVJGJ-UHFFFAOYSA-N 0 1 323.874 3.944 20 10 DHCDMN Oc1c(F)cc(F)cc1CNCC(F)(F)c1cccc(F)c1 ZINC001179099897 1035463049 /nfs/dbraw/zinc/46/30/49/1035463049.db2.gz HZIDLWKRFSZGSP-UHFFFAOYSA-N 0 1 317.257 3.691 20 10 DHCDMN CN(C)c1ccc(CN2CCCCC23COC3)c2ccccc21 ZINC001204242397 1035473655 /nfs/dbraw/zinc/47/36/55/1035473655.db2.gz OYZMKBRTYHTNAX-UHFFFAOYSA-N 0 1 310.441 3.661 20 10 DHCDMN CCN(C)c1ccc(CN[C@@H](CCOC)c2ccco2)cc1 ZINC000773832673 1035509502 /nfs/dbraw/zinc/50/95/02/1035509502.db2.gz AARKKPLFEQEDFE-KRWDZBQOSA-N 0 1 302.418 3.603 20 10 DHCDMN CCCOc1ccc2c(c1)CCN(Cc1cc(F)ccc1O)C2 ZINC001179979268 1035554704 /nfs/dbraw/zinc/55/47/04/1035554704.db2.gz DYYHFWOMZSUPRT-UHFFFAOYSA-N 0 1 315.388 3.878 20 10 DHCDMN Cn1ccc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000905720277 1035624167 /nfs/dbraw/zinc/62/41/67/1035624167.db2.gz CBZGDGVKIUIAQP-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000905720277 1035624177 /nfs/dbraw/zinc/62/41/77/1035624177.db2.gz CBZGDGVKIUIAQP-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC(C)(C)C1 ZINC001193625017 1035680257 /nfs/dbraw/zinc/68/02/57/1035680257.db2.gz CVXAEVZHCDRJAI-ONGXEEELSA-N 0 1 311.809 3.696 20 10 DHCDMN C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc(O)c(O)c(Cl)c1)C2(C)C ZINC001193633787 1035683162 /nfs/dbraw/zinc/68/31/62/1035683162.db2.gz GTGWQBPXUYPMQM-MVVXRAEJSA-N 0 1 323.820 3.552 20 10 DHCDMN CC(C)([NH2+]Cc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001180664781 1035738823 /nfs/dbraw/zinc/73/88/23/1035738823.db2.gz JMBVSLAVSGIJOB-UHFFFAOYSA-N 0 1 320.776 3.979 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525780 1035932779 /nfs/dbraw/zinc/93/27/79/1035932779.db2.gz OUHDYXOQJKJFNA-HUUCEWRRSA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525780 1035932796 /nfs/dbraw/zinc/93/27/96/1035932796.db2.gz OUHDYXOQJKJFNA-HUUCEWRRSA-N 0 1 323.864 3.993 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001181526226 1035936297 /nfs/dbraw/zinc/93/62/97/1035936297.db2.gz VKYNBMIHMBVCCT-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001181526226 1035936300 /nfs/dbraw/zinc/93/63/00/1035936300.db2.gz VKYNBMIHMBVCCT-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525782 1035936895 /nfs/dbraw/zinc/93/68/95/1035936895.db2.gz OUHDYXOQJKJFNA-LSDHHAIUSA-N 0 1 323.864 3.993 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC001181525782 1035936910 /nfs/dbraw/zinc/93/69/10/1035936910.db2.gz OUHDYXOQJKJFNA-LSDHHAIUSA-N 0 1 323.864 3.993 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000227437189 1036084248 /nfs/dbraw/zinc/08/42/48/1036084248.db2.gz XHCMGFXMUAPSMQ-CYBMUJFWSA-N 0 1 322.202 3.915 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775643681 1036167668 /nfs/dbraw/zinc/16/76/68/1036167668.db2.gz SYLIRRMTLRZJQB-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000775647926 1036189788 /nfs/dbraw/zinc/18/97/88/1036189788.db2.gz HXMXSURLWBHGEW-MRXNPFEDSA-N 0 1 321.779 3.758 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000775650481 1036232213 /nfs/dbraw/zinc/23/22/13/1036232213.db2.gz DQAYOCDBGUCNLA-OAHLLOKOSA-N 0 1 306.768 3.917 20 10 DHCDMN Cc1ncc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])s1 ZINC000775659474 1036269363 /nfs/dbraw/zinc/26/93/63/1036269363.db2.gz XZSMQLALJZNACP-UHFFFAOYSA-N 0 1 300.786 3.582 20 10 DHCDMN Cc1cc(Br)cc(CN(C)Cc2ccoc2)c1O ZINC000775662700 1036287933 /nfs/dbraw/zinc/28/79/33/1036287933.db2.gz GASGMPWJNICINE-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN CCC[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccccc1O ZINC000775667490 1036311808 /nfs/dbraw/zinc/31/18/08/1036311808.db2.gz JHVDURBOMASXBK-UHFFFAOYSA-N 0 1 302.443 3.750 20 10 DHCDMN CCCN(Cc1nc2c(s1)CCC2)Cc1ccccc1O ZINC000775667490 1036311828 /nfs/dbraw/zinc/31/18/28/1036311828.db2.gz JHVDURBOMASXBK-UHFFFAOYSA-N 0 1 302.443 3.750 20 10 DHCDMN Cc1ncsc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775676005 1036393670 /nfs/dbraw/zinc/39/36/70/1036393670.db2.gz JAWCHORNELGZJA-UHFFFAOYSA-N 0 1 300.786 3.582 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc2ccncc2s1 ZINC001182686184 1036426622 /nfs/dbraw/zinc/42/66/22/1036426622.db2.gz YMPLYMNWRQOHPQ-UHFFFAOYSA-N 0 1 304.802 3.945 20 10 DHCDMN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000775698695 1036474144 /nfs/dbraw/zinc/47/41/44/1036474144.db2.gz QWCWZWKJMQPVJB-KRWDZBQOSA-N 0 1 319.832 3.910 20 10 DHCDMN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001182968710 1036490224 /nfs/dbraw/zinc/49/02/24/1036490224.db2.gz DWPXPQLQMHVDQX-PXAZEXFGSA-N 0 1 313.388 3.760 20 10 DHCDMN CC(C)([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](O)c1ccccc1 ZINC001183498505 1036609296 /nfs/dbraw/zinc/60/92/96/1036609296.db2.gz GGGRWKNAYPMUII-MRXNPFEDSA-N 0 1 305.805 3.647 20 10 DHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC001183885173 1036697632 /nfs/dbraw/zinc/69/76/32/1036697632.db2.gz FVBNMCSSEAESLK-LLVKDONJSA-N 0 1 324.396 3.582 20 10 DHCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CC1(C)C ZINC001235068541 1036748634 /nfs/dbraw/zinc/74/86/34/1036748634.db2.gz KKMNQDSZJKHBJT-JTQLQIEISA-N 0 1 316.214 3.772 20 10 DHCDMN O=C1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]12 ZINC001203586470 1036827947 /nfs/dbraw/zinc/82/79/47/1036827947.db2.gz OHODLPHRDQWCGA-CABZTGNLSA-N 0 1 314.212 3.500 20 10 DHCDMN CCCC[N@@H+](CC)Cc1cc(F)cc(Br)c1[O-] ZINC001235297662 1036962841 /nfs/dbraw/zinc/96/28/41/1036962841.db2.gz OXPNSVFDNVPVCZ-UHFFFAOYSA-N 0 1 304.203 3.916 20 10 DHCDMN C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000776005987 1037301135 /nfs/dbraw/zinc/30/11/35/1037301135.db2.gz FRULDVLEYJOUQS-OKILXGFUSA-N 0 1 310.869 3.503 20 10 DHCDMN COc1ccccc1OCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000776171151 1037674775 /nfs/dbraw/zinc/67/47/75/1037674775.db2.gz YKPSPXHASWWXLR-UHFFFAOYSA-N 0 1 321.804 3.613 20 10 DHCDMN C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775365149 1038275320 /nfs/dbraw/zinc/27/53/20/1038275320.db2.gz UUMCYHTWWQZTNB-OAHLLOKOSA-N 0 1 320.440 3.994 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507056 1038598159 /nfs/dbraw/zinc/59/81/59/1038598159.db2.gz GWIYHKRQOJCGML-DOTOQJQBSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503670 1038598362 /nfs/dbraw/zinc/59/83/62/1038598362.db2.gz LZIQBYXFPHVROO-GOEBONIOSA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507939 1038599104 /nfs/dbraw/zinc/59/91/04/1038599104.db2.gz PTAXHTFHFCRDQX-RNODOKPDSA-N 0 1 317.882 3.634 20 10 DHCDMN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760896620 1039037392 /nfs/dbraw/zinc/03/73/92/1039037392.db2.gz HIHKIHBKKHEVFE-GOSISDBHSA-N 0 1 322.456 3.880 20 10 DHCDMN CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000230698481 1039958747 /nfs/dbraw/zinc/95/87/47/1039958747.db2.gz AZPGBVUPLYDSDS-VXGBXAGGSA-N 0 1 316.264 3.528 20 10 DHCDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C(C)(C)C ZINC000227120956 1040089132 /nfs/dbraw/zinc/08/91/32/1040089132.db2.gz VPLWSQHFUDLYMF-JTQLQIEISA-N 0 1 300.240 3.927 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccsc1 ZINC000227436063 1040263387 /nfs/dbraw/zinc/26/33/87/1040263387.db2.gz SOAJAQPRVMRDNJ-UHFFFAOYSA-N 0 1 312.232 3.549 20 10 DHCDMN CCOCc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551676 192372298 /nfs/dbraw/zinc/37/22/98/192372298.db2.gz MYNRNCVHEAEESP-UHFFFAOYSA-N 0 1 305.805 3.872 20 10 DHCDMN COC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563839 130137482 /nfs/dbraw/zinc/13/74/82/130137482.db2.gz IVZPOJOTDOYPMB-GOEBONIOSA-N 0 1 303.402 3.949 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000273621539 130145363 /nfs/dbraw/zinc/14/53/63/130145363.db2.gz ZFAIVLGIQRLRRH-ONGXEEELSA-N 0 1 316.264 3.701 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H]2CCc3cccc(O)c32)o1 ZINC000297863975 132037150 /nfs/dbraw/zinc/03/71/50/132037150.db2.gz UEHBYKVZNVMTDU-LSDHHAIUSA-N 0 1 301.386 3.512 20 10 DHCDMN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185605705 333370433 /nfs/dbraw/zinc/37/04/33/333370433.db2.gz OXZNEEIXSDTLSY-GJZGRUSLSA-N 0 1 301.430 3.995 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCC23CCOCC3)c1[O-] ZINC000282801631 334137299 /nfs/dbraw/zinc/13/72/99/334137299.db2.gz RZLQSWHXQQVJKO-HNNXBMFYSA-N 0 1 309.837 3.793 20 10 DHCDMN C[C@@H](N[C@H]1COc2c1cccc2Cl)c1cc(F)ccc1O ZINC000375242905 337006436 /nfs/dbraw/zinc/00/64/36/337006436.db2.gz ROXBDZNJDNOKJU-OTYXRUKQSA-N 0 1 307.752 3.969 20 10 DHCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000376042175 337025775 /nfs/dbraw/zinc/02/57/75/337025775.db2.gz CGCJIOBAXBXEIC-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Nc2cccnc2)CC1 ZINC000377629787 337056801 /nfs/dbraw/zinc/05/68/01/337056801.db2.gz QAIKDMHZHRRLTH-UHFFFAOYSA-N 0 1 317.820 3.517 20 10 DHCDMN C[C@@H](NCc1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000377869623 337063020 /nfs/dbraw/zinc/06/30/20/337063020.db2.gz PYPQBBGZXFFSEP-CYBMUJFWSA-N 0 1 311.360 3.568 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000378637690 337077281 /nfs/dbraw/zinc/07/72/81/337077281.db2.gz ODZVTVJMTMIHIA-CQSZACIVSA-N 0 1 302.805 3.505 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000378637690 337077282 /nfs/dbraw/zinc/07/72/82/337077282.db2.gz ODZVTVJMTMIHIA-CQSZACIVSA-N 0 1 302.805 3.505 20 10 DHCDMN Cc1nc([C@H](N[C@H](C)c2cc(C)ccc2O)c2ccccc2)n[nH]1 ZINC000185324313 337205083 /nfs/dbraw/zinc/20/50/83/337205083.db2.gz PHTWMGYRCBXIHW-FZKQIMNGSA-N 0 1 322.412 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192376101 337304884 /nfs/dbraw/zinc/30/48/84/337304884.db2.gz JEUDGRUSFGHTOH-KSSFIOAISA-N 0 1 317.816 3.913 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305772235 337387314 /nfs/dbraw/zinc/38/73/14/337387314.db2.gz HUFMLIDMOUYLKC-HIFRSBDPSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121199857 337396258 /nfs/dbraw/zinc/39/62/58/337396258.db2.gz YVKLKACWTRLNDQ-OAHLLOKOSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121199857 337396259 /nfs/dbraw/zinc/39/62/59/337396259.db2.gz YVKLKACWTRLNDQ-OAHLLOKOSA-N 0 1 307.397 3.648 20 10 DHCDMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cn2ccccc2n1 ZINC000551281822 341337004 /nfs/dbraw/zinc/33/70/04/341337004.db2.gz JFDASJHIRIETKC-HNNXBMFYSA-N 0 1 318.424 3.985 20 10 DHCDMN Cc1cccc(CN[C@@H](COCC(C)C)c2ccco2)c1O ZINC000181376493 524435476 /nfs/dbraw/zinc/43/54/76/524435476.db2.gz KPHGZYRNZPQTMY-INIZCTEOSA-N 0 1 303.402 3.797 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000186355221 525590800 /nfs/dbraw/zinc/59/08/00/525590800.db2.gz PLYMYSPTHOBIDY-BHADISHBSA-N 0 1 305.393 3.530 20 10 DHCDMN Cc1c([C@H](C)NCc2ccc(N(C)C)c(F)c2)cnn1C(C)C ZINC000191240327 525920851 /nfs/dbraw/zinc/92/08/51/525920851.db2.gz BHSZHUPRLHQIMG-ZDUSSCGKSA-N 0 1 318.440 3.828 20 10 DHCDMN COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000165950665 526032694 /nfs/dbraw/zinc/03/26/94/526032694.db2.gz QCNMKFNLSLFEGX-AWEZNQCLSA-N 0 1 314.429 3.621 20 10 DHCDMN CCC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1O ZINC000829496892 601821745 /nfs/dbraw/zinc/82/17/45/601821745.db2.gz UJJFMPOBQTVIEM-UHFFFAOYSA-N 0 1 305.399 3.564 20 10 DHCDMN CCCc1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000293872249 1013113734 /nfs/dbraw/zinc/11/37/34/1013113734.db2.gz YHNOYOXRZZUIOD-ZDUSSCGKSA-N 0 1 301.434 3.852 20 10 DHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001593759980 954475165 /nfs/dbraw/zinc/47/51/65/954475165.db2.gz GSKPJRQREWKNCZ-UHFFFAOYSA-N 0 1 324.424 3.617 20 10 DHCDMN CCn1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000155247645 1013324004 /nfs/dbraw/zinc/32/40/04/1013324004.db2.gz UQAOSBQSDYQGHI-UHFFFAOYSA-N 0 1 312.461 3.525 20 10 DHCDMN C[C@@]12CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]1C2(Cl)Cl ZINC000894689558 1013456777 /nfs/dbraw/zinc/45/67/77/1013456777.db2.gz DVVVBIUIXOKOFC-WCQYABFASA-N 0 1 322.182 3.686 20 10 DHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@H](CCO)c1ccccc1 ZINC000126893495 1014501744 /nfs/dbraw/zinc/50/17/44/1014501744.db2.gz IGXZMIUBYJHTKF-MRXNPFEDSA-N 0 1 305.805 3.601 20 10 DHCDMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)C(C)(C)C ZINC001592593255 978525453 /nfs/dbraw/zinc/52/54/53/978525453.db2.gz YSBXGUNDLDKONC-NSHDSACASA-N 0 1 313.825 3.614 20 10 DHCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@H](CCO)c1ccccc1 ZINC000126893495 1014501736 /nfs/dbraw/zinc/50/17/36/1014501736.db2.gz IGXZMIUBYJHTKF-MRXNPFEDSA-N 0 1 305.805 3.601 20 10 DHCDMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595408392 980998304 /nfs/dbraw/zinc/99/83/04/980998304.db2.gz JXSVSUMWHGQHIR-WCQYABFASA-N 0 1 318.392 3.636 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895583831 1015211828 /nfs/dbraw/zinc/21/18/28/1015211828.db2.gz YQUAJJZRHKTRMX-VIFPVBQESA-N 0 1 312.797 3.631 20 10 DHCDMN CCc1cccc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1O ZINC001597587065 988408033 /nfs/dbraw/zinc/40/80/33/988408033.db2.gz OGKJRVSBYKKFDJ-UHFFFAOYSA-N 0 1 307.434 3.523 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cnn(C)c2C2CC2)C2CC2)cc1 ZINC000891595897 1015437071 /nfs/dbraw/zinc/43/70/71/1015437071.db2.gz FHZDOOYEGZEFDL-UHFFFAOYSA-N 0 1 324.472 3.528 20 10 DHCDMN C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C(C)(C)CC(=O)[O-] ZINC001598504991 992490577 /nfs/dbraw/zinc/49/05/77/992490577.db2.gz UKTYYZBVIODHON-UHFFFAOYSA-N 0 1 313.397 3.744 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccnn2C(C)C)cc1F ZINC000281006613 1015819123 /nfs/dbraw/zinc/81/91/23/1015819123.db2.gz WJOMBVHSGATJFR-UHFFFAOYSA-N 0 1 318.440 3.739 20 10 DHCDMN CC(C)Oc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000113323152 1016905687 /nfs/dbraw/zinc/90/56/87/1016905687.db2.gz DXEHXKCSOYCXFO-UHFFFAOYSA-N 0 1 306.793 3.518 20 10 DHCDMN CCc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000108927903 1016908238 /nfs/dbraw/zinc/90/82/38/1016908238.db2.gz GMCWJILSJOGRHX-UONOGXRCSA-N 0 1 305.462 3.861 20 10 DHCDMN COc1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000934560216 1017065279 /nfs/dbraw/zinc/06/52/79/1017065279.db2.gz BWLKVMLLLHOFJY-HNNXBMFYSA-N 0 1 313.445 3.851 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000185672282 1017091591 /nfs/dbraw/zinc/09/15/91/1017091591.db2.gz CJEOJMHLHDMPBJ-OFQRWUPVSA-N 0 1 310.441 3.821 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506275 1032543641 /nfs/dbraw/zinc/54/36/41/1032543641.db2.gz JUPWUOCBZAOHHU-QMTHXVAHSA-N 0 1 316.228 3.700 20 10 DHCDMN Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000897301292 1017348578 /nfs/dbraw/zinc/34/85/78/1017348578.db2.gz FPIJBRPIYMQSCD-CQSZACIVSA-N 0 1 302.443 3.530 20 10 DHCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708135168 1017667084 /nfs/dbraw/zinc/66/70/84/1017667084.db2.gz WVWALLJLIMMGQQ-MRVPVSSYSA-N 0 1 304.615 3.792 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000186143548 1017932805 /nfs/dbraw/zinc/93/28/05/1017932805.db2.gz UBWORYCDCYDUQF-HIFRSBDPSA-N 0 1 301.430 3.993 20 10 DHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC001204602518 1018061375 /nfs/dbraw/zinc/06/13/75/1018061375.db2.gz WDTANODIDFYXFT-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC001204602518 1018061389 /nfs/dbraw/zinc/06/13/89/1018061389.db2.gz WDTANODIDFYXFT-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC001204602518 1018061405 /nfs/dbraw/zinc/06/14/05/1018061405.db2.gz WDTANODIDFYXFT-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN COc1cc(C)cc(CNC2(c3nc(C)cs3)CCC2)c1O ZINC000764111291 1018157017 /nfs/dbraw/zinc/15/70/17/1018157017.db2.gz BNCYGRPNZKHFPD-UHFFFAOYSA-N 0 1 318.442 3.643 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)cc1C ZINC000728560337 1018289772 /nfs/dbraw/zinc/28/97/72/1018289772.db2.gz PEPWKAUHPSNJCC-UHFFFAOYSA-N 0 1 322.408 3.889 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1C ZINC000728560337 1018289777 /nfs/dbraw/zinc/28/97/77/1018289777.db2.gz PEPWKAUHPSNJCC-UHFFFAOYSA-N 0 1 322.408 3.889 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1C ZINC000728560337 1018289786 /nfs/dbraw/zinc/28/97/86/1018289786.db2.gz PEPWKAUHPSNJCC-UHFFFAOYSA-N 0 1 322.408 3.889 20 10 DHCDMN Cc1cc(CNCc2snnc2C)c(C)n1-c1ccccc1 ZINC000384293909 1018475845 /nfs/dbraw/zinc/47/58/45/1018475845.db2.gz WPWYLYGARJNFPZ-UHFFFAOYSA-N 0 1 312.442 3.544 20 10 DHCDMN C[N@@H+](Cc1ccc(Br)cc1)Cc1c([O-])cccc1F ZINC001137837676 1018659996 /nfs/dbraw/zinc/65/99/96/1018659996.db2.gz QRCVDYBLZUFPPH-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CC(F)(F)C(C)(C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706831622 1018763168 /nfs/dbraw/zinc/76/31/68/1018763168.db2.gz IQLXLNWEJVSSSE-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN Cc1ccc(F)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000187062664 1018978636 /nfs/dbraw/zinc/97/86/36/1018978636.db2.gz ZLRXFUCQQSCUQZ-UHFFFAOYSA-N 0 1 323.389 3.566 20 10 DHCDMN COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765665689 1019030151 /nfs/dbraw/zinc/03/01/51/1019030151.db2.gz CCPLRKXXXSCCSL-HNNXBMFYSA-N 0 1 313.445 3.624 20 10 DHCDMN CCOc1ccc(CNC(C)(C)c2nc(C)c(C)s2)c(O)c1 ZINC000736648076 1019041238 /nfs/dbraw/zinc/04/12/38/1019041238.db2.gz NPEYJBQRDVLERJ-UHFFFAOYSA-N 0 1 320.458 3.889 20 10 DHCDMN CSCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134922377 1019051089 /nfs/dbraw/zinc/05/10/89/1019051089.db2.gz PXULXLQIYSSJDS-VIFPVBQESA-N 0 1 304.253 3.558 20 10 DHCDMN CCOCc1cc(CN[C@@H](C)c2ccns2)ccc1OC ZINC000858317377 1032845056 /nfs/dbraw/zinc/84/50/56/1032845056.db2.gz MRBMJVBUMGXEAW-LBPRGKRZSA-N 0 1 306.431 3.539 20 10 DHCDMN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000186515229 1019768819 /nfs/dbraw/zinc/76/88/19/1019768819.db2.gz JIVPECIXNQQHQS-GUYCJALGSA-N 0 1 311.381 3.913 20 10 DHCDMN CCc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000929294496 1020020662 /nfs/dbraw/zinc/02/06/62/1020020662.db2.gz DPAGTVGOEDWDTQ-UHFFFAOYSA-N 0 1 301.434 3.714 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922681741 1020204950 /nfs/dbraw/zinc/20/49/50/1020204950.db2.gz SHHRWPRMFTTYSR-TVQRCGJNSA-N 0 1 323.742 3.635 20 10 DHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@H]1CCCO1 ZINC000738062440 1020861329 /nfs/dbraw/zinc/86/13/29/1020861329.db2.gz YTGUCGJDGLAIKU-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@H]1CCCO1 ZINC000738062440 1020861339 /nfs/dbraw/zinc/86/13/39/1020861339.db2.gz YTGUCGJDGLAIKU-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000174023630 1020950523 /nfs/dbraw/zinc/95/05/23/1020950523.db2.gz SZCWRIFJLFZYTH-LBPRGKRZSA-N 0 1 309.413 3.747 20 10 DHCDMN Cc1cccc(O[C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000742379641 1021115302 /nfs/dbraw/zinc/11/53/02/1021115302.db2.gz ZBVFPGMQVMVIEY-CYBMUJFWSA-N 0 1 305.805 3.911 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858584708 1032957915 /nfs/dbraw/zinc/95/79/15/1032957915.db2.gz VVXJZJTWCYGYIZ-GVXVVHGQSA-N 0 1 303.324 3.629 20 10 DHCDMN Fc1c(CNCc2ccc3c(c2)CCO3)cccc1OC1CC1 ZINC000850111887 1021421554 /nfs/dbraw/zinc/42/15/54/1021421554.db2.gz PWXWVVVHAJBRGO-UHFFFAOYSA-N 0 1 313.372 3.592 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc2cnccc2o1 ZINC000850430552 1021527943 /nfs/dbraw/zinc/52/79/43/1021527943.db2.gz MRUONJOKBUEQEA-GFCCVEGCSA-N 0 1 313.376 3.884 20 10 DHCDMN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(Cl)cc1[O-] ZINC000850549848 1021597301 /nfs/dbraw/zinc/59/73/01/1021597301.db2.gz KNAPBTHVZHPGMJ-NSHDSACASA-N 0 1 319.836 3.897 20 10 DHCDMN C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850583243 1021622762 /nfs/dbraw/zinc/62/27/62/1021622762.db2.gz KCFUWMZWVGXIKJ-PRXAMGSTSA-N 0 1 305.805 3.818 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3cc(F)ccc3o2)c1 ZINC000182371455 1021623524 /nfs/dbraw/zinc/62/35/24/1021623524.db2.gz RHGXFDHICWDJGA-SNVBAGLBSA-N 0 1 316.332 3.532 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2csc(C(C)C)n2)c1 ZINC000182462545 1021665677 /nfs/dbraw/zinc/66/56/77/1021665677.db2.gz HOUXLAGAHQBNAB-LLVKDONJSA-N 0 1 306.431 3.832 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccnc1Cl ZINC000122696492 1021952506 /nfs/dbraw/zinc/95/25/06/1021952506.db2.gz JQZXXMGXSDKOQU-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cccc(F)c2)c1[O-] ZINC000179582090 1022068189 /nfs/dbraw/zinc/06/81/89/1022068189.db2.gz CMVLAMJHQIMEPD-UHFFFAOYSA-N 0 1 319.351 3.898 20 10 DHCDMN COc1ccc(OCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756360596 1022070760 /nfs/dbraw/zinc/07/07/60/1022070760.db2.gz UMRRSHXSKYCEFO-GFCCVEGCSA-N 0 1 321.804 3.784 20 10 DHCDMN COc1ccccc1CN(Cc1cc(F)ccc1O)C1CC1 ZINC000179926017 1022094276 /nfs/dbraw/zinc/09/42/76/1022094276.db2.gz QPKZTIBRLOCLRW-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCC(F)(F)F ZINC000691426973 1022530348 /nfs/dbraw/zinc/53/03/48/1022530348.db2.gz ARSLQVMPXKOHNB-UHFFFAOYSA-N 0 1 312.129 3.587 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](CF)C2)cc1Br ZINC001237678723 1022535009 /nfs/dbraw/zinc/53/50/09/1022535009.db2.gz LNBPPCZYVSWOCD-LLVKDONJSA-N 0 1 316.214 3.645 20 10 DHCDMN CN(C)c1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1 ZINC000767417963 1022712767 /nfs/dbraw/zinc/71/27/67/1022712767.db2.gz SMYRVIWIYKTSPD-UHFFFAOYSA-N 0 1 313.445 3.615 20 10 DHCDMN CCOc1ccc(CN(C)Cc2ccc(F)cc2F)c(O)c1 ZINC000768234243 1022930232 /nfs/dbraw/zinc/93/02/32/1022930232.db2.gz YYIMQCWJWZWEHN-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN CCCN(Cc1cn2cccc(F)c2n1)Cc1ccccc1O ZINC000769201303 1023101197 /nfs/dbraw/zinc/10/11/97/1023101197.db2.gz RHYPQKSDQGQCKH-UHFFFAOYSA-N 0 1 313.376 3.591 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1C ZINC000769232859 1023103806 /nfs/dbraw/zinc/10/38/06/1023103806.db2.gz OPRDNMRQQJUYRX-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1C ZINC000769232859 1023103809 /nfs/dbraw/zinc/10/38/09/1023103809.db2.gz OPRDNMRQQJUYRX-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000769426594 1023146176 /nfs/dbraw/zinc/14/61/76/1023146176.db2.gz FVVFDHJOCRLTME-UHFFFAOYSA-N 0 1 314.216 3.547 20 10 DHCDMN CCc1nc(C)c([C@@H](C)N(C)Cc2c(O)cccc2OC)s1 ZINC000769471973 1023163679 /nfs/dbraw/zinc/16/36/79/1023163679.db2.gz ZOFOKPIBBBGYFK-GFCCVEGCSA-N 0 1 320.458 3.921 20 10 DHCDMN CCOc1cccc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1O ZINC000769504289 1023168697 /nfs/dbraw/zinc/16/86/97/1023168697.db2.gz SHHNOPCFZAIKNG-FQEVSTJZSA-N 0 1 311.425 3.955 20 10 DHCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000769871626 1023234416 /nfs/dbraw/zinc/23/44/16/1023234416.db2.gz YTFHKABIGGUTLN-CQSZACIVSA-N 0 1 313.445 3.996 20 10 DHCDMN OC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000769932675 1023250990 /nfs/dbraw/zinc/25/09/90/1023250990.db2.gz IAEARQUEUWVVOE-GOSISDBHSA-N 0 1 316.470 3.562 20 10 DHCDMN Oc1ccccc1CN1CCN(c2ccc(F)cc2Cl)CC1 ZINC000770506112 1023316456 /nfs/dbraw/zinc/31/64/56/1023316456.db2.gz SSNYWTFIMPHMHI-UHFFFAOYSA-N 0 1 320.795 3.507 20 10 DHCDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876757171 1033133354 /nfs/dbraw/zinc/13/33/54/1033133354.db2.gz DREDXZOSOGXFKR-LBPRGKRZSA-N 0 1 319.351 3.669 20 10 DHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)OC(C)(C)C2)c1 ZINC000785513879 1023585985 /nfs/dbraw/zinc/58/59/85/1023585985.db2.gz SUEKKWBMKYQANP-UHFFFAOYSA-N 0 1 321.461 3.785 20 10 DHCDMN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000789584867 1024120786 /nfs/dbraw/zinc/12/07/86/1024120786.db2.gz SFZFTSCTFUORMS-OAHLLOKOSA-N 0 1 319.832 3.735 20 10 DHCDMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000789584867 1024120789 /nfs/dbraw/zinc/12/07/89/1024120789.db2.gz SFZFTSCTFUORMS-OAHLLOKOSA-N 0 1 319.832 3.735 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cn3ccccc3n2)cc1 ZINC000268743105 1024150929 /nfs/dbraw/zinc/15/09/29/1024150929.db2.gz TUTJLTXFLDSRPU-OAHLLOKOSA-N 0 1 308.429 3.641 20 10 DHCDMN CC[C@H](NCc1cn2ccsc2n1)c1ccc(N(C)C)cc1 ZINC000268784827 1024160372 /nfs/dbraw/zinc/16/03/72/1024160372.db2.gz BXVMEXXEWGAWAJ-INIZCTEOSA-N 0 1 314.458 3.703 20 10 DHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3CSC)c2c1 ZINC000130908744 1024229715 /nfs/dbraw/zinc/22/97/15/1024229715.db2.gz GACFDXIFQIACCN-CQSZACIVSA-N 0 1 317.454 3.881 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@H]1CCCOC1 ZINC000883352681 1024397749 /nfs/dbraw/zinc/39/77/49/1024397749.db2.gz GHWGTHDTNHYOGM-NZBPQXDJSA-N 0 1 307.409 3.874 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383034 1024415618 /nfs/dbraw/zinc/41/56/18/1024415618.db2.gz RSHUWMYFPQDVIF-IEBWSBKVSA-N 0 1 315.388 3.906 20 10 DHCDMN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)cc2)c1O ZINC000314985881 1024421091 /nfs/dbraw/zinc/42/10/91/1024421091.db2.gz GCUVHHWNEASFQB-UHFFFAOYSA-N 0 1 301.361 3.674 20 10 DHCDMN CC1CCN(c2ccc(CNCc3ccns3)cc2)CC1 ZINC000877024774 1033210318 /nfs/dbraw/zinc/21/03/18/1033210318.db2.gz NXNCTRSMKFYCLE-UHFFFAOYSA-N 0 1 301.459 3.669 20 10 DHCDMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000271436496 1024505806 /nfs/dbraw/zinc/50/58/06/1024505806.db2.gz DURNDSGGROLMPJ-KGLIPLIRSA-N 0 1 316.424 3.951 20 10 DHCDMN COc1cc(Cl)cc(CNCc2ccc(F)cc2F)c1O ZINC000228672725 1024603235 /nfs/dbraw/zinc/60/32/35/1024603235.db2.gz ZWYKJIJWWMZMNT-UHFFFAOYSA-N 0 1 313.731 3.622 20 10 DHCDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC000792166633 1024641165 /nfs/dbraw/zinc/64/11/65/1024641165.db2.gz FDFPGOPBFZBDDL-GFCCVEGCSA-N 0 1 323.795 3.568 20 10 DHCDMN Cc1cc(Cl)nc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000282868356 1024652977 /nfs/dbraw/zinc/65/29/77/1024652977.db2.gz VCHHMKFLDMOSKZ-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000792820415 1024799262 /nfs/dbraw/zinc/79/92/62/1024799262.db2.gz NOGSLVWGFDDJFY-UHFFFAOYSA-N 0 1 319.445 3.726 20 10 DHCDMN COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000792820415 1024799273 /nfs/dbraw/zinc/79/92/73/1024799273.db2.gz NOGSLVWGFDDJFY-UHFFFAOYSA-N 0 1 319.445 3.726 20 10 DHCDMN CCc1cccc(F)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000792938415 1024849259 /nfs/dbraw/zinc/84/92/59/1024849259.db2.gz DCLGLFNSKVXYAW-UHFFFAOYSA-N 0 1 304.384 3.883 20 10 DHCDMN Cc1cc(O)c(CN(Cc2ccccn2)C2CC2)cc1Cl ZINC000825935389 1033246582 /nfs/dbraw/zinc/24/65/82/1033246582.db2.gz SAZCKLVZWBAYNG-UHFFFAOYSA-N 0 1 302.805 3.914 20 10 DHCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C2CC2)O1 ZINC000793221215 1024936062 /nfs/dbraw/zinc/93/60/62/1024936062.db2.gz YAPNJOBTGWILSE-OXJNMPFZSA-N 0 1 314.473 3.676 20 10 DHCDMN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000793230085 1024945648 /nfs/dbraw/zinc/94/56/48/1024945648.db2.gz DXPOFWQOCXJKTC-MFKMUULPSA-N 0 1 303.324 3.564 20 10 DHCDMN COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232522 1024949923 /nfs/dbraw/zinc/94/99/23/1024949923.db2.gz XBIPCXPGDHDARO-GZMMTYOYSA-N 0 1 323.742 3.827 20 10 DHCDMN C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1[O-] ZINC000793565557 1025104806 /nfs/dbraw/zinc/10/48/06/1025104806.db2.gz CDNNMHOVZYQRPF-LLVKDONJSA-N 0 1 315.804 3.815 20 10 DHCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc2O1 ZINC000793766043 1025156515 /nfs/dbraw/zinc/15/65/15/1025156515.db2.gz FUHNTQHHDKNEBB-AWEZNQCLSA-N 0 1 320.392 3.724 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc2O1 ZINC000793766043 1025156518 /nfs/dbraw/zinc/15/65/18/1025156518.db2.gz FUHNTQHHDKNEBB-AWEZNQCLSA-N 0 1 320.392 3.724 20 10 DHCDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2cnc(C)cn2)cc1 ZINC000794257984 1025242778 /nfs/dbraw/zinc/24/27/78/1025242778.db2.gz PKBGEYCKDBISJA-MRXNPFEDSA-N 0 1 312.461 3.824 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOC2(CCC2)C1 ZINC000886344805 1025597296 /nfs/dbraw/zinc/59/72/96/1025597296.db2.gz LRXDTZCWBDTWHW-MRXNPFEDSA-N 0 1 309.837 3.875 20 10 DHCDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(F)cc(F)c1[O-])CCC2 ZINC000894021274 1025654545 /nfs/dbraw/zinc/65/45/45/1025654545.db2.gz QUPRQCNMZMOARX-CQSZACIVSA-N 0 1 324.396 3.945 20 10 DHCDMN [O-]c1c(F)cc(F)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000894088199 1025702363 /nfs/dbraw/zinc/70/23/63/1025702363.db2.gz ITUFGAKOXHBXCN-UHFFFAOYSA-N 0 1 309.278 3.835 20 10 DHCDMN CN1CCc2cc(CNCc3ncoc3-c3ccccc3)ccc21 ZINC000359978196 1025731064 /nfs/dbraw/zinc/73/10/64/1025731064.db2.gz NRQOPSOQNCPIEV-UHFFFAOYSA-N 0 1 319.408 3.624 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2ncccc21 ZINC000806558201 1025922066 /nfs/dbraw/zinc/92/20/66/1025922066.db2.gz VSIDPIPDCSBACQ-UHFFFAOYSA-N 0 1 321.167 3.649 20 10 DHCDMN C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000093644406 1026120146 /nfs/dbraw/zinc/12/01/46/1026120146.db2.gz VIZPDUHPMOWJOV-GXFFZTMASA-N 0 1 317.260 3.614 20 10 DHCDMN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840075 1026123563 /nfs/dbraw/zinc/12/35/63/1026123563.db2.gz XCMCYLBOHZMJHS-NHYWBVRUSA-N 0 1 316.228 3.997 20 10 DHCDMN CC(F)(F)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836450 1026128993 /nfs/dbraw/zinc/12/89/93/1026128993.db2.gz XHNAUOGTKXBLLT-UHFFFAOYSA-N 0 1 312.143 3.751 20 10 DHCDMN CC1(C)CC(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807836305 1026129183 /nfs/dbraw/zinc/12/91/83/1026129183.db2.gz UPQPMKFQJVRYDM-UHFFFAOYSA-N 0 1 302.201 3.751 20 10 DHCDMN O=C(CCC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807836268 1026129684 /nfs/dbraw/zinc/12/96/84/1026129684.db2.gz UBVPWZQOYITKQY-UHFFFAOYSA-N 0 1 316.106 3.658 20 10 DHCDMN O=C(CCc1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837149 1026131719 /nfs/dbraw/zinc/13/17/19/1026131719.db2.gz CTLORJXZEWJRLK-UHFFFAOYSA-N 0 1 314.168 3.541 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccoc1Cl ZINC000807838650 1026131830 /nfs/dbraw/zinc/13/18/30/1026131830.db2.gz MXIOLFLCAVISMY-UHFFFAOYSA-N 0 1 320.559 3.875 20 10 DHCDMN CC(C)(C)c1nc(NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000808086314 1026200423 /nfs/dbraw/zinc/20/04/23/1026200423.db2.gz AOGQPTCFSNHAEB-UHFFFAOYSA-N 0 1 316.188 3.992 20 10 DHCDMN CCN(CC)c1ccc(CNc2cnccc2-n2cccn2)cc1 ZINC000809632987 1026578667 /nfs/dbraw/zinc/57/86/67/1026578667.db2.gz ZJKPURHTCJZBLV-UHFFFAOYSA-N 0 1 321.428 3.726 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000809713569 1026601135 /nfs/dbraw/zinc/60/11/35/1026601135.db2.gz UAQGPRSJYVOABS-KBPBESRZSA-N 0 1 310.235 3.823 20 10 DHCDMN CCOC1CC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809773800 1026607805 /nfs/dbraw/zinc/60/78/05/1026607805.db2.gz KIVIWGXPLYOAKU-UHFFFAOYSA-N 0 1 304.217 3.698 20 10 DHCDMN CCCC[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809753140 1026616771 /nfs/dbraw/zinc/61/67/71/1026616771.db2.gz YZBPNHZHZCTNLG-UHFFFAOYSA-N 0 1 306.233 3.684 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809787501 1026625739 /nfs/dbraw/zinc/62/57/39/1026625739.db2.gz GBKXDMYRBFFYDR-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN Cc1nc(C)c(CN(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000809933032 1026641521 /nfs/dbraw/zinc/64/15/21/1026641521.db2.gz NXYQOTWPTYFPHG-UHFFFAOYSA-N 0 1 313.445 3.914 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214851 1026708010 /nfs/dbraw/zinc/70/80/10/1026708010.db2.gz KDNAPBCQPPKGFL-OCCSQVGLSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218865 1026710121 /nfs/dbraw/zinc/71/01/21/1026710121.db2.gz DUYNTHWJQIRRQP-UONOGXRCSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227791 1026712690 /nfs/dbraw/zinc/71/26/90/1026712690.db2.gz JMZQYWVRYJZMMZ-TZMCWYRMSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226800 1026713126 /nfs/dbraw/zinc/71/31/26/1026713126.db2.gz LOJZZVIOKUDXKL-UONOGXRCSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208440 1026718181 /nfs/dbraw/zinc/71/81/81/1026718181.db2.gz VHDHZGKDUFRBGR-DGCLKSJQSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212126 1026718844 /nfs/dbraw/zinc/71/88/44/1026718844.db2.gz MFEJNFUSNVEXAJ-ZWNOBZJWSA-N 0 1 305.340 3.734 20 10 DHCDMN CC[C@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237073 1026724245 /nfs/dbraw/zinc/72/42/45/1026724245.db2.gz DWFZSVAQBDOXGE-GWCFXTLKSA-N 0 1 305.340 3.613 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1[C@H]1CCCO1 ZINC000811510318 1027026774 /nfs/dbraw/zinc/02/67/74/1027026774.db2.gz CARXCQXGIJRCOX-HIFRSBDPSA-N 0 1 313.800 3.574 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000811513695 1027029738 /nfs/dbraw/zinc/02/97/38/1027029738.db2.gz MKTCJFHZNUJYSJ-HNNXBMFYSA-N 0 1 322.792 3.718 20 10 DHCDMN Cc1cc(O)c(CN(C)Cc2cnn(-c3ccccc3)c2)cc1C ZINC000016877843 1027289023 /nfs/dbraw/zinc/28/90/23/1027289023.db2.gz POVLPTDZIASGJR-UHFFFAOYSA-N 0 1 321.424 3.827 20 10 DHCDMN O=C(CCCC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000812576228 1027329082 /nfs/dbraw/zinc/32/90/82/1027329082.db2.gz YDQIWUKNSZKENP-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Cl)ccc1[O-] ZINC000812736974 1027382600 /nfs/dbraw/zinc/38/26/00/1027382600.db2.gz KUSPYUKRVDXSHO-LLVKDONJSA-N 0 1 319.836 3.509 20 10 DHCDMN CC[C@@](C)(NCc1cc(C)cc(OC)c1O)c1nccs1 ZINC000894281227 1027527502 /nfs/dbraw/zinc/52/75/02/1027527502.db2.gz SHYWIDMFVMVCCP-MRXNPFEDSA-N 0 1 306.431 3.581 20 10 DHCDMN CCc1nc(C)c(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813886389 1027754117 /nfs/dbraw/zinc/75/41/17/1027754117.db2.gz AZHRSHAKRFLHDQ-JOYOIKCWSA-N 0 1 304.365 3.728 20 10 DHCDMN CSC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000814178938 1027914446 /nfs/dbraw/zinc/91/44/46/1027914446.db2.gz JRLRITADKCADLX-SNVBAGLBSA-N 0 1 303.830 3.760 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc2O1 ZINC000814177948 1027916360 /nfs/dbraw/zinc/91/63/60/1027916360.db2.gz WGBKHMKOUXLVSF-LBPRGKRZSA-N 0 1 303.789 3.829 20 10 DHCDMN CC[C@@H]1CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814179008 1027916669 /nfs/dbraw/zinc/91/66/69/1027916669.db2.gz MRRUWAJXIRDLOE-OAHLLOKOSA-N 0 1 303.406 3.569 20 10 DHCDMN CC(C)Oc1ncccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000048760465 1028235315 /nfs/dbraw/zinc/23/53/15/1028235315.db2.gz XNRGYPVHLJWHGM-UHFFFAOYSA-N 0 1 306.793 3.518 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CCC[C@H]2c2cc(C)on2)c1 ZINC000368046119 1028287504 /nfs/dbraw/zinc/28/75/04/1028287504.db2.gz YOFHHVCOFXQUST-WBMJQRKESA-N 0 1 302.374 3.595 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000368370190 1028346033 /nfs/dbraw/zinc/34/60/33/1028346033.db2.gz NPZLNDAGYSHHDP-MGPLVRAMSA-N 0 1 323.845 3.899 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(CNc2cccc(C3CC3)[nH+]2)c1[O-] ZINC000815143018 1028400149 /nfs/dbraw/zinc/40/01/49/1028400149.db2.gz CUGQSKUSKUXYLD-UHFFFAOYSA-N 0 1 319.748 3.838 20 10 DHCDMN COc1ccncc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000815628884 1028578913 /nfs/dbraw/zinc/57/89/13/1028578913.db2.gz MWHVRGIOYZTNEW-CYBMUJFWSA-N 0 1 308.381 3.800 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188423 1028666448 /nfs/dbraw/zinc/66/64/48/1028666448.db2.gz NPROUTCYHBSWHY-CQSZACIVSA-N 0 1 313.800 3.576 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518970 1028868139 /nfs/dbraw/zinc/86/81/39/1028868139.db2.gz XOUAPYURVFTGEM-GOEBONIOSA-N 0 1 303.427 3.978 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000816487766 1028892432 /nfs/dbraw/zinc/89/24/32/1028892432.db2.gz XJFSTUDAKUITME-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN CO[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816588698 1028938115 /nfs/dbraw/zinc/93/81/15/1028938115.db2.gz VZIQCJXGUSGEDD-CQSZACIVSA-N 0 1 313.319 3.602 20 10 DHCDMN Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816593184 1028939026 /nfs/dbraw/zinc/93/90/26/1028939026.db2.gz HWEFEYGYTJKTLT-QGZVFWFLSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816593184 1028939042 /nfs/dbraw/zinc/93/90/42/1028939042.db2.gz HWEFEYGYTJKTLT-QGZVFWFLSA-N 0 1 321.424 3.659 20 10 DHCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000816551751 1028941377 /nfs/dbraw/zinc/94/13/77/1028941377.db2.gz NVAQXCIIVPEQSB-ZWKOTPCHSA-N 0 1 311.425 3.983 20 10 DHCDMN Cc1n[nH]cc1C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816603684 1028960494 /nfs/dbraw/zinc/96/04/94/1028960494.db2.gz NIHDFLSYUVSKRG-UHFFFAOYSA-N 0 1 321.424 3.957 20 10 DHCDMN COc1cc2c(cc1Cl)CN(Cc1cc(C)ccc1O)CC2 ZINC000816665181 1028984034 /nfs/dbraw/zinc/98/40/34/1028984034.db2.gz WIPLEMIHLWMZDI-UHFFFAOYSA-N 0 1 317.816 3.921 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666369 1028984841 /nfs/dbraw/zinc/98/48/41/1028984841.db2.gz LNNPJZXRPKQCFA-WOJBJXKFSA-N 0 1 309.409 3.689 20 10 DHCDMN Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630764 1028985341 /nfs/dbraw/zinc/98/53/41/1028985341.db2.gz QVRUAWZWGSLYDJ-HXUWFJFHSA-N 0 1 323.436 3.939 20 10 DHCDMN C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413277 1029152905 /nfs/dbraw/zinc/15/29/05/1029152905.db2.gz VNFLLCQQTPOTMC-JKSUJKDBSA-N 0 1 311.425 3.510 20 10 DHCDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413277 1029152910 /nfs/dbraw/zinc/15/29/10/1029152910.db2.gz VNFLLCQQTPOTMC-JKSUJKDBSA-N 0 1 311.425 3.510 20 10 DHCDMN C[C@@H]1[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H]1C1CC1 ZINC000529391297 1029253511 /nfs/dbraw/zinc/25/35/11/1029253511.db2.gz FJKRITGUHPWPPX-YLJLNXRRSA-N 0 1 314.212 3.607 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959423 1029301125 /nfs/dbraw/zinc/30/11/25/1029301125.db2.gz REMFYFNMXMUJNE-RYUDHWBXSA-N 0 1 305.249 3.723 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517034 1030054483 /nfs/dbraw/zinc/05/44/83/1030054483.db2.gz TVDKMXFBWHUJNJ-QGZVFWFLSA-N 0 1 323.795 3.524 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924575312 1030126289 /nfs/dbraw/zinc/12/62/89/1030126289.db2.gz UQDDZTADKHSQOI-QGZVFWFLSA-N 0 1 315.848 3.968 20 10 DHCDMN COc1ccnc([C@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000924650424 1030153110 /nfs/dbraw/zinc/15/31/10/1030153110.db2.gz YDWCBJFCIHHNAS-HNNXBMFYSA-N 0 1 311.429 3.541 20 10 DHCDMN Cn1cc(NCc2cc(Cl)cc(Cl)c2O)c(C2CC2)n1 ZINC000291018926 1030292433 /nfs/dbraw/zinc/29/24/33/1030292433.db2.gz ACBZJLBZFVKZHK-UHFFFAOYSA-N 0 1 312.200 3.922 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H](O)C(F)(F)F ZINC000866464736 1030308212 /nfs/dbraw/zinc/30/82/12/1030308212.db2.gz YKIMUBOFQPOMEF-WMFXKJRFSA-N 0 1 313.319 3.508 20 10 DHCDMN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000866513614 1030340338 /nfs/dbraw/zinc/34/03/38/1030340338.db2.gz WVBZYWUUOFUTAP-XTQGRXLLSA-N 0 1 309.837 3.901 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634948 1030416449 /nfs/dbraw/zinc/41/64/49/1030416449.db2.gz WDALFBQHPBMXFT-UONOGXRCSA-N 0 1 305.809 3.818 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926811 1030674575 /nfs/dbraw/zinc/67/45/75/1030674575.db2.gz HKQBZJPCJVZJTC-BLLLJJGKSA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926811 1030674580 /nfs/dbraw/zinc/67/45/80/1030674580.db2.gz HKQBZJPCJVZJTC-BLLLJJGKSA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825366269 1030790533 /nfs/dbraw/zinc/79/05/33/1030790533.db2.gz UUQFXRGKAIEKLB-JTQLQIEISA-N 0 1 308.809 3.852 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c2c1c(F)ccc2[O-] ZINC000927070272 1031069803 /nfs/dbraw/zinc/06/98/03/1031069803.db2.gz RGVQNEYJZAEIAP-UHCFXLPNSA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc(Cl)ccc1[O-] ZINC000927090314 1031079963 /nfs/dbraw/zinc/07/99/63/1031079963.db2.gz KWDFJEABOYJURB-LLVKDONJSA-N 0 1 303.789 3.831 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1[O-] ZINC000927107942 1031095628 /nfs/dbraw/zinc/09/56/28/1031095628.db2.gz NOECPRKOBGYDDV-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1O ZINC000927107942 1031095642 /nfs/dbraw/zinc/09/56/42/1031095642.db2.gz NOECPRKOBGYDDV-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC(C)(C)C ZINC001144299858 1031439798 /nfs/dbraw/zinc/43/97/98/1031439798.db2.gz KPFUPEXTIHPYNG-UHFFFAOYSA-N 0 1 304.203 3.772 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCCCC12CC2 ZINC001144306677 1031455612 /nfs/dbraw/zinc/45/56/12/1031455612.db2.gz LVPNKLOAMLSTRA-UHFFFAOYSA-N 0 1 314.198 3.812 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)ccc(F)c1F ZINC000872260084 1031566053 /nfs/dbraw/zinc/56/60/53/1031566053.db2.gz OIXUARIJTJATAD-AWEZNQCLSA-N 0 1 311.372 3.594 20 10 DHCDMN Cc1cc(Cl)cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019099 1031810629 /nfs/dbraw/zinc/81/06/29/1031810629.db2.gz XQDKQKPJZPORFS-BDJLRTHQSA-N 0 1 323.795 3.705 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000846057296 1031816962 /nfs/dbraw/zinc/81/69/62/1031816962.db2.gz GLNKDCGDMUWTJK-AWEZNQCLSA-N 0 1 324.833 3.643 20 10 DHCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000846118827 1031865370 /nfs/dbraw/zinc/86/53/70/1031865370.db2.gz ZODMWMAWAJFZJK-MRXNPFEDSA-N 0 1 312.379 3.903 20 10 DHCDMN C[NH+](C)Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294200210 1031867036 /nfs/dbraw/zinc/86/70/36/1031867036.db2.gz KSXDUOHVWFAAJN-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN COc1cccc([C@H](C)NCc2nc(C3CC3)cs2)c1O ZINC000846152442 1031885223 /nfs/dbraw/zinc/88/52/23/1031885223.db2.gz AZVTVXNPMZWFQC-JTQLQIEISA-N 0 1 304.415 3.586 20 10 DHCDMN COc1cccc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c1O ZINC000846162164 1031891013 /nfs/dbraw/zinc/89/10/13/1031891013.db2.gz IHLLQMRXQAYOIS-LBPRGKRZSA-N 0 1 318.392 3.775 20 10 DHCDMN Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(Cl)c1O)NC2=O ZINC000877863585 1033493601 /nfs/dbraw/zinc/49/36/01/1033493601.db2.gz INCLLRXSTPKJAC-AWEZNQCLSA-N 0 1 323.179 3.862 20 10 DHCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000387523422 1033593917 /nfs/dbraw/zinc/59/39/17/1033593917.db2.gz BHOPSYDATPZONJ-LBPRGKRZSA-N 0 1 304.217 3.700 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1Cl ZINC000826029893 1033617962 /nfs/dbraw/zinc/61/79/62/1033617962.db2.gz LYCYEOBCNVJESP-UHFFFAOYSA-N 0 1 323.864 3.871 20 10 DHCDMN CCC[C@H](OCC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000861728901 1033710718 /nfs/dbraw/zinc/71/07/18/1033710718.db2.gz PJBCNIZDUFXTJK-LBPRGKRZSA-N 0 1 320.216 3.520 20 10 DHCDMN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1Cl ZINC000878455016 1033713845 /nfs/dbraw/zinc/71/38/45/1033713845.db2.gz MSXOPSJWZKQPMB-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC1(F)F ZINC000862369994 1033834381 /nfs/dbraw/zinc/83/43/81/1033834381.db2.gz GLHDQGCEOPFFCW-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC1(F)F ZINC000862369994 1033834390 /nfs/dbraw/zinc/83/43/90/1033834390.db2.gz GLHDQGCEOPFFCW-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@@H]1CN(Cc2c(O)cccc2Br)CCC1(F)F ZINC000862369994 1033834401 /nfs/dbraw/zinc/83/44/01/1033834401.db2.gz GLHDQGCEOPFFCW-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482562 1033865038 /nfs/dbraw/zinc/86/50/38/1033865038.db2.gz JVOGUKHSVKBPFG-GOSISDBHSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482562 1033865046 /nfs/dbraw/zinc/86/50/46/1033865046.db2.gz JVOGUKHSVKBPFG-GOSISDBHSA-N 0 1 317.816 3.529 20 10 DHCDMN CCOc1ccc(O)c(CN[C@](C)(CC)c2nc(C)cs2)c1 ZINC000174498435 1033939160 /nfs/dbraw/zinc/93/91/60/1033939160.db2.gz CQEJSOHEAKCKPA-QGZVFWFLSA-N 0 1 320.458 3.971 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516955 1034079391 /nfs/dbraw/zinc/07/93/91/1034079391.db2.gz ZEWDDDPVLBAHFQ-ZFWWWQNUSA-N 0 1 309.837 3.684 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC23CCSCC3)cc1Cl ZINC000826130591 1034154371 /nfs/dbraw/zinc/15/43/71/1034154371.db2.gz JSJBUCDIELKBDP-ZDUSSCGKSA-N 0 1 311.878 3.977 20 10 DHCDMN CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccc(N(C)C)cc1 ZINC000178059182 1034205025 /nfs/dbraw/zinc/20/50/25/1034205025.db2.gz PNVMUHBZKWJSKI-LJQANCHMSA-N 0 1 322.456 3.950 20 10 DHCDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000864018416 1034259094 /nfs/dbraw/zinc/25/90/94/1034259094.db2.gz SFLDKSKYZAVSAX-UHFFFAOYSA-N 0 1 309.457 3.667 20 10 DHCDMN O=C1CCCc2cc(NCc3ccc(F)c(F)c3O)ccc2N1 ZINC000864027798 1034265069 /nfs/dbraw/zinc/26/50/69/1034265069.db2.gz KOQLCXHBOJWIFJ-UHFFFAOYSA-N 0 1 318.323 3.557 20 10 DHCDMN Oc1c(CNc2ccc([C@H]3CCOC3)cc2)ccc(F)c1F ZINC000864038017 1034269120 /nfs/dbraw/zinc/26/91/20/1034269120.db2.gz DSTHFMOUNOXPCI-ZDUSSCGKSA-N 0 1 305.324 3.786 20 10 DHCDMN COc1nccc2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC000864038222 1034269895 /nfs/dbraw/zinc/26/98/95/1034269895.db2.gz JOLNQEBZZGIWRQ-UHFFFAOYSA-N 0 1 316.307 3.839 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)nc1 ZINC000179116293 1034286354 /nfs/dbraw/zinc/28/63/54/1034286354.db2.gz FOHSRTQJHSAXPK-LLVKDONJSA-N 0 1 307.800 3.791 20 10 DHCDMN O=C(c1ccncc1)c1ccccc1Nc1cccc2[nH]ncc21 ZINC001174348262 1034309942 /nfs/dbraw/zinc/30/99/42/1034309942.db2.gz UZIDICSHHALVKC-UHFFFAOYSA-N 0 1 314.348 3.933 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663716 1034319694 /nfs/dbraw/zinc/31/96/94/1034319694.db2.gz VDFDRAFSPCZBRD-YGRLFVJLSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663716 1034319707 /nfs/dbraw/zinc/31/97/07/1034319707.db2.gz VDFDRAFSPCZBRD-YGRLFVJLSA-N 0 1 310.319 3.713 20 10 DHCDMN Cc1c[nH+]ccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174538810 1034453835 /nfs/dbraw/zinc/45/38/35/1034453835.db2.gz RNRMRDITUPIRMK-UHFFFAOYSA-N 0 1 313.582 3.677 20 10 DHCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000184840084 1034504482 /nfs/dbraw/zinc/50/44/82/1034504482.db2.gz YCNAZFUXMKLOEQ-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000185119529 1034530783 /nfs/dbraw/zinc/53/07/83/1034530783.db2.gz ZJWDPYREIOLPGY-NEPJUHHUSA-N 0 1 305.805 3.950 20 10 DHCDMN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185501225 1034551207 /nfs/dbraw/zinc/55/12/07/1034551207.db2.gz KIAAKSXOPVQQNN-VHSXEESVSA-N 0 1 308.809 3.932 20 10 DHCDMN C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187747061 1034727451 /nfs/dbraw/zinc/72/74/51/1034727451.db2.gz FVOMCROLOXQAJM-LBPRGKRZSA-N 0 1 324.415 3.728 20 10 DHCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000777438654 1034741125 /nfs/dbraw/zinc/74/11/25/1034741125.db2.gz ADZZDHPLYMIMQJ-INIZCTEOSA-N 0 1 309.837 3.745 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cn(C)nc2C)cc1F ZINC001177733184 1035390041 /nfs/dbraw/zinc/39/00/41/1035390041.db2.gz HFEHAPKBQZCBTK-CYBMUJFWSA-N 0 1 318.440 3.565 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c(Cl)c1 ZINC001178773645 1035448989 /nfs/dbraw/zinc/44/89/89/1035448989.db2.gz BEXUBUGXBFHYIK-PBHICJAKSA-N 0 1 313.869 3.733 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042988 1035572421 /nfs/dbraw/zinc/57/24/21/1035572421.db2.gz NQJIOXOWLZKFFU-VBQJREDUSA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042988 1035572438 /nfs/dbraw/zinc/57/24/38/1035572438.db2.gz NQJIOXOWLZKFFU-VBQJREDUSA-N 0 1 322.880 3.883 20 10 DHCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CC=CCC1 ZINC001180311262 1035640904 /nfs/dbraw/zinc/64/09/04/1035640904.db2.gz ZSCHWLOLSFNHAL-GFCCVEGCSA-N 0 1 310.235 3.943 20 10 DHCDMN COc1cc(C)c(C[N@@H+](Cc2ccc(C)o2)C2CC2)c(O)c1 ZINC001180403405 1035663074 /nfs/dbraw/zinc/66/30/74/1035663074.db2.gz KHDXEZCXMCEECF-UHFFFAOYSA-N 0 1 301.386 3.775 20 10 DHCDMN Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)cc1Cl ZINC001180372398 1035667992 /nfs/dbraw/zinc/66/79/92/1035667992.db2.gz TTWZRHVLSOVJPX-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@H]1C1CCCCC1 ZINC001193612961 1035678080 /nfs/dbraw/zinc/67/80/80/1035678080.db2.gz VLXOMNRMQYYNEG-AWEZNQCLSA-N 0 1 323.820 3.936 20 10 DHCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCC[C@@H]1C1CCCCC1 ZINC001193612962 1035678456 /nfs/dbraw/zinc/67/84/56/1035678456.db2.gz VLXOMNRMQYYNEG-CQSZACIVSA-N 0 1 323.820 3.936 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)cc1Cl ZINC001181934886 1036051558 /nfs/dbraw/zinc/05/15/58/1036051558.db2.gz WHAJZIUSYMNSIS-INIZCTEOSA-N 0 1 324.896 3.954 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000227437198 1036086173 /nfs/dbraw/zinc/08/61/73/1036086173.db2.gz XHCMGFXMUAPSMQ-ZDUSSCGKSA-N 0 1 322.202 3.915 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2cc(Cl)cc(F)c2O)no1 ZINC000775648812 1036203852 /nfs/dbraw/zinc/20/38/52/1036203852.db2.gz FSNJBADISMPKFD-AWEZNQCLSA-N 0 1 310.756 3.818 20 10 DHCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCC[C@H]1C ZINC001195358060 1036225925 /nfs/dbraw/zinc/22/59/25/1036225925.db2.gz KCKWXYFIFGUPRR-CVEARBPZSA-N 0 1 319.445 3.584 20 10 DHCDMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775658937 1036269158 /nfs/dbraw/zinc/26/91/58/1036269158.db2.gz SGHFSJOIQCBWAX-LBPRGKRZSA-N 0 1 323.795 3.568 20 10 DHCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](CC)O1 ZINC001182462370 1036335521 /nfs/dbraw/zinc/33/55/21/1036335521.db2.gz PUUTZAKCUOBLTQ-QWRGUYRKSA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000775703735 1036486213 /nfs/dbraw/zinc/48/62/13/1036486213.db2.gz WEIPIXREOVKFHD-QGZVFWFLSA-N 0 1 317.816 3.928 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000762098780 1036517693 /nfs/dbraw/zinc/51/76/93/1036517693.db2.gz ORLUGAPMPRMPAF-UHFFFAOYSA-N 0 1 319.408 3.715 20 10 DHCDMN COCCN(Cc1ccc(C)o1)Cc1cc(Cl)cc(C)c1O ZINC000775724763 1036565306 /nfs/dbraw/zinc/56/53/06/1036565306.db2.gz IAHWOXCVJOHOPT-UHFFFAOYSA-N 0 1 323.820 3.904 20 10 DHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000775741391 1036606106 /nfs/dbraw/zinc/60/61/06/1036606106.db2.gz OUIXBSAUZKEJEW-GJZGRUSLSA-N 0 1 309.837 3.825 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CC(CC3CCOCC3)C2)cc1Cl ZINC001183560731 1036619185 /nfs/dbraw/zinc/61/91/85/1036619185.db2.gz GHKLLNPIBLDATA-UHFFFAOYSA-N 0 1 309.837 3.603 20 10 DHCDMN COc1ccccc1-c1nc(CN[C@@H](C)c2ccccc2O)co1 ZINC001197004499 1036666675 /nfs/dbraw/zinc/66/66/75/1036666675.db2.gz UIIJECDCZTWXMN-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN COC(=O)c1cc2ccccc2c(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000915202703 1036697032 /nfs/dbraw/zinc/69/70/32/1036697032.db2.gz MLCQRQFYKAIHJV-UHFFFAOYSA-N 0 1 313.397 3.705 20 10 DHCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000915202703 1036697038 /nfs/dbraw/zinc/69/70/38/1036697038.db2.gz MLCQRQFYKAIHJV-UHFFFAOYSA-N 0 1 313.397 3.705 20 10 DHCDMN C[C@]1([NH2+]Cc2ccc(Cl)cc2[O-])CCOc2ccccc21 ZINC001183958236 1036717144 /nfs/dbraw/zinc/71/71/44/1036717144.db2.gz KLCPWPMYZXFGDY-KRWDZBQOSA-N 0 1 303.789 3.833 20 10 DHCDMN C[C@H]1C[NH+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)O1 ZINC000915789554 1037186382 /nfs/dbraw/zinc/18/63/82/1037186382.db2.gz QUSNYRYEMQHLQE-STQMWFEESA-N 0 1 311.381 3.901 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CCC(C)C)ccc1[N+](=O)[O-] ZINC000774910649 1037201858 /nfs/dbraw/zinc/20/18/58/1037201858.db2.gz UCVAREZRPUXDCX-CQSZACIVSA-N 0 1 322.405 3.710 20 10 DHCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775176238 1037921733 /nfs/dbraw/zinc/92/17/33/1037921733.db2.gz MNOBWRWEFUGHLF-HNNXBMFYSA-N 0 1 318.244 3.826 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccc(F)cc1 ZINC000776221535 1037925283 /nfs/dbraw/zinc/92/52/83/1037925283.db2.gz WMIYOKVKAVUKBL-NSHDSACASA-N 0 1 309.768 3.742 20 10 DHCDMN COc1ccc(N(Cc2n[nH]c(C(C)C)n2)CC(C)C)cc1 ZINC000794414870 1038000859 /nfs/dbraw/zinc/00/08/59/1038000859.db2.gz STSAOILOBWSEOH-UHFFFAOYSA-N 0 1 302.422 3.599 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000691677460 1038052715 /nfs/dbraw/zinc/05/27/15/1038052715.db2.gz NKVPYJZGQKFROU-UHFFFAOYSA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775408423 1038379449 /nfs/dbraw/zinc/37/94/49/1038379449.db2.gz YUGMOZNAOPJAIK-NSHDSACASA-N 0 1 318.804 3.603 20 10 DHCDMN CCC[N@@H+](CCN(C)Cc1ccccc1)Cc1ccccc1O ZINC001191289472 1038481664 /nfs/dbraw/zinc/48/16/64/1038481664.db2.gz NALJIHFFFXRWFS-UHFFFAOYSA-N 0 1 312.457 3.736 20 10 DHCDMN CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000775482877 1038548726 /nfs/dbraw/zinc/54/87/26/1038548726.db2.gz FIHOUVAVJAFEKZ-INIZCTEOSA-N 0 1 321.852 3.990 20 10 DHCDMN CC[C@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775491258 1038560384 /nfs/dbraw/zinc/56/03/84/1038560384.db2.gz GWRMTPDNTXOLSA-HNNXBMFYSA-N 0 1 307.825 3.763 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1[O-] ZINC000775491863 1038565171 /nfs/dbraw/zinc/56/51/71/1038565171.db2.gz IJPHFDOIZXESFK-HNNXBMFYSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1[O-] ZINC000775514242 1038604522 /nfs/dbraw/zinc/60/45/22/1038604522.db2.gz STNKKCVBHQQZQS-BLLLJJGKSA-N 0 1 323.820 3.531 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1[O-] ZINC000775522715 1038633844 /nfs/dbraw/zinc/63/38/44/1038633844.db2.gz YMVCSTBJLBIRHV-UONOGXRCSA-N 0 1 305.809 3.887 20 10 DHCDMN CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775528011 1038646288 /nfs/dbraw/zinc/64/62/88/1038646288.db2.gz XIDRRWGPAPCNKW-OAHLLOKOSA-N 0 1 319.836 3.902 20 10 DHCDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1=CC(=O)CS1 ZINC000760807836 1038756724 /nfs/dbraw/zinc/75/67/24/1038756724.db2.gz LMYHPILFWNKUBJ-UHFFFAOYSA-N 0 1 309.297 3.520 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000129815390 1039727389 /nfs/dbraw/zinc/72/73/89/1039727389.db2.gz BNSCJFJQLYASKS-KRWDZBQOSA-N 0 1 317.816 3.649 20 10 DHCDMN CS[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000230698495 1039958578 /nfs/dbraw/zinc/95/85/78/1039958578.db2.gz AZPGBVUPLYDSDS-RYUDHWBXSA-N 0 1 316.264 3.528 20 10 DHCDMN CCc1ccc([C@@H](COC)NCc2cc(Cl)ccc2O)o1 ZINC000174480478 1040647496 /nfs/dbraw/zinc/64/74/96/1040647496.db2.gz DGQJRRFVASCSOB-CQSZACIVSA-N 0 1 309.793 3.678 20 10 DHCDMN COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273399569 130117222 /nfs/dbraw/zinc/11/72/22/130117222.db2.gz MUECHDKBYMRWRJ-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273482564 130126241 /nfs/dbraw/zinc/12/62/41/130126241.db2.gz MKPIVZTVKJCDOJ-BMIGLBTASA-N 0 1 313.319 3.509 20 10 DHCDMN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000273491767 130128139 /nfs/dbraw/zinc/12/81/39/130128139.db2.gz OJGUBLZLUGGBBD-BONVTDFDSA-N 0 1 309.768 3.569 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527034 130132113 /nfs/dbraw/zinc/13/21/13/130132113.db2.gz VMXMTMKTHLTGMW-STQMWFEESA-N 0 1 302.422 3.662 20 10 DHCDMN CC(C)COC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297831613 132035914 /nfs/dbraw/zinc/03/59/14/132035914.db2.gz RXZDQMDTRKJKPR-HOTGVXAUSA-N 0 1 315.413 3.976 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1nccn1-c1ccccc1 ZINC000290225027 334171788 /nfs/dbraw/zinc/17/17/88/334171788.db2.gz XPLBGNLAFKJJHD-MRXNPFEDSA-N 0 1 320.440 3.789 20 10 DHCDMN Cc1cc(N(C)Cc2ccccc2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302692150 336365113 /nfs/dbraw/zinc/36/51/13/336365113.db2.gz ZVEGJQIFBVLQIH-UHFFFAOYSA-N 0 1 323.352 3.793 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H]2COc3cccc(Cl)c32)c1 ZINC000377883745 337063255 /nfs/dbraw/zinc/06/32/55/337063255.db2.gz KVWYFUPPTQLBCI-HZMBPMFUSA-N 0 1 319.788 3.839 20 10 DHCDMN COc1ccc(O)c(CN2CCSC[C@H]2c2ccc(C)o2)c1 ZINC000378445161 337072872 /nfs/dbraw/zinc/07/28/72/337072872.db2.gz SHZIIEDUUDCAOJ-HNNXBMFYSA-N 0 1 319.426 3.592 20 10 DHCDMN CCc1nc([C@@H]2CCCCN2Cc2cccc(Cl)c2O)no1 ZINC000378444315 337072947 /nfs/dbraw/zinc/07/29/47/337072947.db2.gz PHRHNJUGPUKYFD-ZDUSSCGKSA-N 0 1 321.808 3.718 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000248517770 337564272 /nfs/dbraw/zinc/56/42/72/337564272.db2.gz PLYMYSPTHOBIDY-XYZKALLWSA-N 0 1 305.393 3.530 20 10 DHCDMN CC[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(C(F)(F)F)cc1[O-] ZINC000527983596 517826211 /nfs/dbraw/zinc/82/62/11/517826211.db2.gz WSCPOAVGZRMLEY-IQYSWEBNSA-N 0 1 315.335 3.631 20 10 DHCDMN Cc1cccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000180545843 524405456 /nfs/dbraw/zinc/40/54/56/524405456.db2.gz XFHAZDSCKUFOEO-CJNGLKHVSA-N 0 1 303.427 3.724 20 10 DHCDMN C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1c([O-])cccc1Cl ZINC000131120388 524646036 /nfs/dbraw/zinc/64/60/36/524646036.db2.gz WFJLQAPDYDKTNW-YGRLFVJLSA-N 0 1 311.834 3.709 20 10 DHCDMN COc1cccc(CN(C)[C@H](C)c2cc(F)ccc2F)c1O ZINC000131579114 525916856 /nfs/dbraw/zinc/91/68/56/525916856.db2.gz CRHGXMMKYQGYER-LLVKDONJSA-N 0 1 307.340 3.872 20 10 DHCDMN CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287765930 535893882 /nfs/dbraw/zinc/89/38/82/535893882.db2.gz RFENSLUFGHQCOL-INIZCTEOSA-N 0 1 310.869 3.959 20 10 DHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000740096656 599955360 /nfs/dbraw/zinc/95/53/60/599955360.db2.gz KRMGOHGDVNBQTM-QGZVFWFLSA-N 0 1 311.381 3.618 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829496443 604770332 /nfs/dbraw/zinc/77/03/32/604770332.db2.gz AMSPGFDJFCFAFA-QGZVFWFLSA-N 0 1 317.360 3.569 20 10 DHCDMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001595018725 951304261 /nfs/dbraw/zinc/30/42/61/951304261.db2.gz BPMZONQXQDEETD-AWEZNQCLSA-N 0 1 313.397 3.622 20 10 DHCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000369596841 1013213841 /nfs/dbraw/zinc/21/38/41/1013213841.db2.gz LDBIVVAXUVZWMU-ZMSDIMECSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000369596841 1013213844 /nfs/dbraw/zinc/21/38/44/1013213844.db2.gz LDBIVVAXUVZWMU-ZMSDIMECSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000369596841 1013213858 /nfs/dbraw/zinc/21/38/58/1013213858.db2.gz LDBIVVAXUVZWMU-ZMSDIMECSA-N 0 1 309.837 3.561 20 10 DHCDMN CCN(CC)c1ccc(CN2CC(C)(CCOC)C2)cc1F ZINC000839143635 1013569023 /nfs/dbraw/zinc/56/90/23/1013569023.db2.gz RHCRXABCSQRRCM-UHFFFAOYSA-N 0 1 308.441 3.530 20 10 DHCDMN CC(=O)c1cc(CN(Cc2ccccc2O)C2CCCC2)on1 ZINC000846803413 1032086790 /nfs/dbraw/zinc/08/67/90/1032086790.db2.gz CGOZFZWWFQILPX-UHFFFAOYSA-N 0 1 314.385 3.528 20 10 DHCDMN Oc1ccccc1C[N@@H+](CC[C@H]1CCOC1)C1CCCCC1 ZINC000783506775 1014776824 /nfs/dbraw/zinc/77/68/24/1014776824.db2.gz OTTBRSFMCAUYNZ-INIZCTEOSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@H+](CC[C@H]1CCOC1)C1CCCCC1 ZINC000783506775 1014776831 /nfs/dbraw/zinc/77/68/31/1014776831.db2.gz OTTBRSFMCAUYNZ-INIZCTEOSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCOC1)C1CCCCC1 ZINC000783506775 1014776838 /nfs/dbraw/zinc/77/68/38/1014776838.db2.gz OTTBRSFMCAUYNZ-INIZCTEOSA-N 0 1 303.446 3.954 20 10 DHCDMN CC[C@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1[O-])OC ZINC000834881622 1014933517 /nfs/dbraw/zinc/93/35/17/1014933517.db2.gz CBALYVCWXJEBNP-QMTHXVAHSA-N 0 1 316.239 3.620 20 10 DHCDMN Oc1c(F)cc(F)cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000895387818 1015121108 /nfs/dbraw/zinc/12/11/08/1015121108.db2.gz DKKMWUGBDVQWBP-SNVBAGLBSA-N 0 1 324.274 3.520 20 10 DHCDMN Cc1cc(CNCc2c(C)ccnc2N)c(C)n1-c1ccccc1 ZINC000895405023 1015135824 /nfs/dbraw/zinc/13/58/24/1015135824.db2.gz IMFUXQYGQRKAIE-UHFFFAOYSA-N 0 1 320.440 3.670 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000895585451 1015212766 /nfs/dbraw/zinc/21/27/66/1015212766.db2.gz XRTRHMOJNZTHJJ-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000895585451 1015212771 /nfs/dbraw/zinc/21/27/71/1015212771.db2.gz XRTRHMOJNZTHJJ-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc(F)c1F ZINC000896528712 1015612729 /nfs/dbraw/zinc/61/27/29/1015612729.db2.gz RDALLYURAILZFT-NSHDSACASA-N 0 1 324.396 3.582 20 10 DHCDMN CCc1cccc(CNCc2nc3c(s2)CCCC3)c1O ZINC000896825400 1015759819 /nfs/dbraw/zinc/75/98/19/1015759819.db2.gz RKPDGZIMBIPUQY-UHFFFAOYSA-N 0 1 302.443 3.580 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000897080255 1017041279 /nfs/dbraw/zinc/04/12/79/1017041279.db2.gz RSVDJOFWSFNCKD-INIZCTEOSA-N 0 1 307.825 3.574 20 10 DHCDMN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773038744 1032537080 /nfs/dbraw/zinc/53/70/80/1032537080.db2.gz BOHQVUKCDMGDFN-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN COc1ccc(CN[C@H](c2nnc3ccccn32)C(C)C)cc1C ZINC000237281610 1017320176 /nfs/dbraw/zinc/32/01/76/1017320176.db2.gz NKABHMGLEJJXKS-SFHVURJKSA-N 0 1 324.428 3.533 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000773135309 1032568165 /nfs/dbraw/zinc/56/81/65/1032568165.db2.gz COGVFAIKZFPSCP-ZIAGYGMSSA-N 0 1 315.465 3.796 20 10 DHCDMN Cc1cc(NC2CC2)nc(NCc2cc3ccccc3cc2O)n1 ZINC001171397997 1032583068 /nfs/dbraw/zinc/58/30/68/1032583068.db2.gz SCRLILUYSQYIRP-UHFFFAOYSA-N 0 1 320.396 3.830 20 10 DHCDMN COc1cc(C)cc(CNCc2nc(C(C)C)cs2)c1O ZINC000894349690 1013007754 /nfs/dbraw/zinc/00/77/54/1013007754.db2.gz HAKNHPJJGRGIRB-UHFFFAOYSA-N 0 1 306.431 3.579 20 10 DHCDMN Cc1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000857761209 1032676140 /nfs/dbraw/zinc/67/61/40/1032676140.db2.gz HXVBKNRVLFVNDH-UHFFFAOYSA-N 0 1 309.413 3.723 20 10 DHCDMN C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701054819 1017989916 /nfs/dbraw/zinc/98/99/16/1017989916.db2.gz FFMVHCAFZMJTTI-ZETCQYMHSA-N 0 1 312.129 3.585 20 10 DHCDMN C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701054812 1017990693 /nfs/dbraw/zinc/99/06/93/1017990693.db2.gz FFMVHCAFZMJTTI-SSDOTTSWSA-N 0 1 312.129 3.585 20 10 DHCDMN C[C@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000765099783 1018476180 /nfs/dbraw/zinc/47/61/80/1018476180.db2.gz KEWGZLSTKRQTLS-CHWSQXEVSA-N 0 1 311.381 3.901 20 10 DHCDMN C[C@H]1OCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@@H]1C ZINC000765099783 1018476184 /nfs/dbraw/zinc/47/61/84/1018476184.db2.gz KEWGZLSTKRQTLS-CHWSQXEVSA-N 0 1 311.381 3.901 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCc2occc21 ZINC000706828469 1018761789 /nfs/dbraw/zinc/76/17/89/1018761789.db2.gz FCKVIBZDEMQOAM-ZDUSSCGKSA-N 0 1 322.202 3.915 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC000715712540 1018951540 /nfs/dbraw/zinc/95/15/40/1018951540.db2.gz LTBCSRAJMKTZKE-UWVGGRQHSA-N 0 1 316.214 3.914 20 10 DHCDMN COc1cccc(CNCc2c(Cl)cccc2Cl)c1O ZINC000711331620 1019007749 /nfs/dbraw/zinc/00/77/49/1019007749.db2.gz ZGSXXABRLPZZJP-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN Cc1cnn(C)c1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858293559 1032831646 /nfs/dbraw/zinc/83/16/46/1032831646.db2.gz NNPCJDMKZIBFDL-UHFFFAOYSA-N 0 1 322.456 3.734 20 10 DHCDMN CO[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000728049922 1019867677 /nfs/dbraw/zinc/86/76/77/1019867677.db2.gz NRPLUIJMUPNBMF-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN CO[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000728049922 1019867687 /nfs/dbraw/zinc/86/76/87/1019867687.db2.gz NRPLUIJMUPNBMF-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN COc1ccccc1C1(NCc2ccc3c(c2)CCCO3)CC1 ZINC000922210402 1019877275 /nfs/dbraw/zinc/87/72/75/1019877275.db2.gz RGQUWJUKBNZECL-UHFFFAOYSA-N 0 1 309.409 3.799 20 10 DHCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000731041801 1020059999 /nfs/dbraw/zinc/05/99/99/1020059999.db2.gz WZBJKASCBIVCQJ-UHFFFAOYSA-N 0 1 318.804 3.553 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922467628 1020087926 /nfs/dbraw/zinc/08/79/26/1020087926.db2.gz ZFHPFMDINDOLJO-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN Oc1cccc(Cl)c1CNCc1nccc2c1CCCC2 ZINC000922467628 1020087938 /nfs/dbraw/zinc/08/79/38/1020087938.db2.gz ZFHPFMDINDOLJO-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922681739 1020205306 /nfs/dbraw/zinc/20/53/06/1020205306.db2.gz SHHRWPRMFTTYSR-NOZJJQNGSA-N 0 1 323.742 3.635 20 10 DHCDMN CCCCN(Cc1nccn1C(C)C)Cc1ccccc1O ZINC000282474415 1020573664 /nfs/dbraw/zinc/57/36/64/1020573664.db2.gz ODRXNNPCKMMCRW-UHFFFAOYSA-N 0 1 301.434 3.972 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1[O-] ZINC001116648558 1020602722 /nfs/dbraw/zinc/60/27/22/1020602722.db2.gz YIHLKMCIMQUOBD-ZUZCIYMTSA-N 0 1 307.825 3.889 20 10 DHCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCCC2 ZINC000742390997 1021110533 /nfs/dbraw/zinc/11/05/33/1021110533.db2.gz YOHMQGNUAFLVGY-HZPDHXFCSA-N 0 1 309.837 3.873 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858584709 1032957071 /nfs/dbraw/zinc/95/70/71/1032957071.db2.gz VVXJZJTWCYGYIZ-NQBHXWOUSA-N 0 1 303.324 3.629 20 10 DHCDMN CCCn1nccc1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000850128852 1021423245 /nfs/dbraw/zinc/42/32/45/1021423245.db2.gz LEUKRTXFSIUPIQ-UHFFFAOYSA-N 0 1 318.440 3.568 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]12C[C@H]1CCC2 ZINC000935993712 1021547179 /nfs/dbraw/zinc/54/71/79/1021547179.db2.gz UHFNYRDFCPJSBU-YMTOWFKASA-N 0 1 300.185 3.505 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850515488 1021573014 /nfs/dbraw/zinc/57/30/14/1021573014.db2.gz LOQLAXAAQGLZNB-ZWNOBZJWSA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(Cl)cc1[O-] ZINC000850534031 1021586820 /nfs/dbraw/zinc/58/68/20/1021586820.db2.gz FPMPKLIZQBCTNZ-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850535777 1021589824 /nfs/dbraw/zinc/58/98/24/1021589824.db2.gz BIXGBPMSXIFOFW-PRHODGIISA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573062 1021616656 /nfs/dbraw/zinc/61/66/56/1021616656.db2.gz TZWNQFLKYTVPOW-JKSUJKDBSA-N 0 1 312.461 3.822 20 10 DHCDMN CC(C)COc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000236655682 1021665310 /nfs/dbraw/zinc/66/53/10/1021665310.db2.gz VIIJUBBZZFJXLM-UHFFFAOYSA-N 0 1 311.425 3.946 20 10 DHCDMN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000851950426 1022049618 /nfs/dbraw/zinc/04/96/18/1022049618.db2.gz OXVJJOWGDOYBOX-LBPRGKRZSA-N 0 1 317.364 3.651 20 10 DHCDMN COc1ccc(O)c(CN(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000179683262 1022076603 /nfs/dbraw/zinc/07/66/03/1022076603.db2.gz OHBQKBOOSRINAA-LLVKDONJSA-N 0 1 307.340 3.872 20 10 DHCDMN COc1ccc(CNCc2cnccc2C(F)(F)F)cc1C ZINC000853095369 1022220987 /nfs/dbraw/zinc/22/09/87/1022220987.db2.gz LQEUXZSUWLPPKW-UHFFFAOYSA-N 0 1 310.319 3.707 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccncc2)cc1F ZINC000183747526 1022348062 /nfs/dbraw/zinc/34/80/62/1022348062.db2.gz XLBTUKLQWZMERL-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000763650288 1022682291 /nfs/dbraw/zinc/68/22/91/1022682291.db2.gz YOBLBNIKIDTMDK-LLVKDONJSA-N 0 1 310.235 3.919 20 10 DHCDMN Cc1ccc(CN(Cc2ccc(N(C)C)c(F)c2)C2CC2)o1 ZINC000768257524 1022932318 /nfs/dbraw/zinc/93/23/18/1022932318.db2.gz KPMAYGFBVPBYPZ-UHFFFAOYSA-N 0 1 302.393 3.958 20 10 DHCDMN CCCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000768256318 1022934047 /nfs/dbraw/zinc/93/40/47/1022934047.db2.gz BVDOBZGWSGNHRQ-UHFFFAOYSA-N 0 1 312.461 3.524 20 10 DHCDMN C[C@H]1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859616 1022934994 /nfs/dbraw/zinc/93/49/94/1022934994.db2.gz LURLKFMQEXLPTQ-WMLDXEAASA-N 0 1 301.386 3.555 20 10 DHCDMN C[C@H]1CC[C@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859616 1022935003 /nfs/dbraw/zinc/93/50/03/1022935003.db2.gz LURLKFMQEXLPTQ-WMLDXEAASA-N 0 1 301.386 3.555 20 10 DHCDMN COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000768268333 1022935130 /nfs/dbraw/zinc/93/51/30/1022935130.db2.gz HWVNUAINNAIOCB-SNVBAGLBSA-N 0 1 316.239 3.640 20 10 DHCDMN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000768268333 1022935138 /nfs/dbraw/zinc/93/51/38/1022935138.db2.gz HWVNUAINNAIOCB-SNVBAGLBSA-N 0 1 316.239 3.640 20 10 DHCDMN CCOc1ccc(O)c(CN(Cc2ccc(C)o2)C2CC2)c1 ZINC000768258960 1022935467 /nfs/dbraw/zinc/93/54/67/1022935467.db2.gz ZYNBMOYOXYPWMT-UHFFFAOYSA-N 0 1 301.386 3.857 20 10 DHCDMN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000857080595 1022945141 /nfs/dbraw/zinc/94/51/41/1022945141.db2.gz JESMDEOHNKSLEK-IUCAKERBSA-N 0 1 320.177 3.851 20 10 DHCDMN CCC[C@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768338695 1022947464 /nfs/dbraw/zinc/94/74/64/1022947464.db2.gz OHJXFBTWHWSPIN-JTQLQIEISA-N 0 1 316.239 3.784 20 10 DHCDMN CCC[C@H](C)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768338695 1022947471 /nfs/dbraw/zinc/94/74/71/1022947471.db2.gz OHJXFBTWHWSPIN-JTQLQIEISA-N 0 1 316.239 3.784 20 10 DHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000781913752 1022981698 /nfs/dbraw/zinc/98/16/98/1022981698.db2.gz SZGDSIMKJARXRI-CQSZACIVSA-N 0 1 310.235 3.838 20 10 DHCDMN C[C@H](C1CC1)[N@@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768532118 1022982900 /nfs/dbraw/zinc/98/29/00/1022982900.db2.gz JDUVOUSRAFYRDE-SNVBAGLBSA-N 0 1 310.235 3.918 20 10 DHCDMN COc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000769122445 1023087535 /nfs/dbraw/zinc/08/75/35/1023087535.db2.gz ZGJHDTUREGRNGN-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN COc1ccccc1CC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000769333766 1023124770 /nfs/dbraw/zinc/12/47/70/1023124770.db2.gz KXSNBOZACWALJI-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN COc1ccccc1CC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000769333766 1023124772 /nfs/dbraw/zinc/12/47/72/1023124772.db2.gz KXSNBOZACWALJI-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN CC[C@H]([NH2+]Cc1cccnc1)c1cc(Br)ccc1[O-] ZINC000020140970 1023143947 /nfs/dbraw/zinc/14/39/47/1023143947.db2.gz XLHHLINCMLZWDP-AWEZNQCLSA-N 0 1 321.218 3.791 20 10 DHCDMN COc1ccc(CNC(C)(C)c2nc3ccccc3n2C)cc1C ZINC000769924437 1023249186 /nfs/dbraw/zinc/24/91/86/1023249186.db2.gz RXEZHKDVTBLSJC-UHFFFAOYSA-N 0 1 323.440 3.915 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](CO)c2ccsc2)cc1F ZINC000769934777 1023250198 /nfs/dbraw/zinc/25/01/98/1023250198.db2.gz PAYRSTKCHAGGNA-MRXNPFEDSA-N 0 1 322.449 3.557 20 10 DHCDMN C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000769988124 1023257943 /nfs/dbraw/zinc/25/79/43/1023257943.db2.gz NCWIIGSQTVFESL-YVEFUNNKSA-N 0 1 313.422 3.991 20 10 DHCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000770330300 1023299021 /nfs/dbraw/zinc/29/90/21/1023299021.db2.gz XDTSPCISYZSAPS-CYBMUJFWSA-N 0 1 318.244 3.946 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000788544181 1023902625 /nfs/dbraw/zinc/90/26/25/1023902625.db2.gz CZGPYFRCKDOGOR-FQEVSTJZSA-N 0 1 310.441 3.894 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cn2ccccc2n1 ZINC000788585522 1023909944 /nfs/dbraw/zinc/90/99/44/1023909944.db2.gz VRTLMDXJQNOCID-HNNXBMFYSA-N 0 1 320.440 3.568 20 10 DHCDMN COc1c2ccccc2oc1CNCc1ccc2c(c1)CCO2 ZINC000788970380 1023954964 /nfs/dbraw/zinc/95/49/64/1023954964.db2.gz RVNMTSZZZLOWMS-UHFFFAOYSA-N 0 1 309.365 3.666 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000789763599 1024160430 /nfs/dbraw/zinc/16/04/30/1024160430.db2.gz MFXKYELMABJQSY-UHFFFAOYSA-N 0 1 303.830 3.902 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cn3ccc(C)cc3n2)cc1 ZINC000268858288 1024180447 /nfs/dbraw/zinc/18/04/47/1024180447.db2.gz IWYRSBLVXODXJU-MRXNPFEDSA-N 0 1 322.456 3.950 20 10 DHCDMN Cc1ccc(NCc2cc(F)cc(F)c2[O-])c(C[NH+](C)C)c1 ZINC000883065080 1024227774 /nfs/dbraw/zinc/22/77/74/1024227774.db2.gz YYVYFWCXJSAXJB-UHFFFAOYSA-N 0 1 306.356 3.653 20 10 DHCDMN Cc1cc(C[NH+](C)C)cc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883076816 1024232179 /nfs/dbraw/zinc/23/21/79/1024232179.db2.gz NYEQYHUGRQLGDZ-UHFFFAOYSA-N 0 1 306.356 3.653 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCOC1 ZINC000883352683 1024397282 /nfs/dbraw/zinc/39/72/82/1024397282.db2.gz GHWGTHDTNHYOGM-RJZRQDKASA-N 0 1 307.409 3.874 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccnn2-c2ccccc2)cc1 ZINC000790901184 1024400729 /nfs/dbraw/zinc/40/07/29/1024400729.db2.gz KWNGUAMBSLOLDR-UHFFFAOYSA-N 0 1 320.440 3.570 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000132654854 1024493626 /nfs/dbraw/zinc/49/36/26/1024493626.db2.gz XYWZVBOWMZHCDL-GFCCVEGCSA-N 0 1 304.217 3.700 20 10 DHCDMN CN(Cc1cc(Cl)cn1C)Cc1c(O)ccc(Cl)c1F ZINC000792168753 1024641064 /nfs/dbraw/zinc/64/10/64/1024641064.db2.gz FLSUVEXJTPCUMP-UHFFFAOYSA-N 0 1 317.191 3.809 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOc2ccccc2C1 ZINC000792167449 1024641830 /nfs/dbraw/zinc/64/18/30/1024641830.db2.gz SXMJNJQCDACAHR-UHFFFAOYSA-N 0 1 307.752 3.579 20 10 DHCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001139686146 1024697068 /nfs/dbraw/zinc/69/70/68/1024697068.db2.gz PDQOSVCDVZTFPP-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001139686146 1024697074 /nfs/dbraw/zinc/69/70/74/1024697074.db2.gz PDQOSVCDVZTFPP-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793232247 1024949289 /nfs/dbraw/zinc/94/92/89/1024949289.db2.gz VCQLPZHHYAVSQO-CBAPKCEASA-N 0 1 311.706 3.957 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(F)c(F)c2F)c1 ZINC000825935179 1033248374 /nfs/dbraw/zinc/24/83/74/1033248374.db2.gz OKRSLUPNGTWTES-SECBINFHSA-N 0 1 311.303 3.669 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229562336 1025063044 /nfs/dbraw/zinc/06/30/44/1025063044.db2.gz VLEYADJVQGIIPI-CMPLNLGQSA-N 0 1 316.264 3.701 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793608004 1025126447 /nfs/dbraw/zinc/12/64/47/1025126447.db2.gz HAIWNCPQKFLDEK-ZIAGYGMSSA-N 0 1 316.228 3.842 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)cc1[O-] ZINC000279902780 1025311328 /nfs/dbraw/zinc/31/13/28/1025311328.db2.gz HERCZYIAQROITL-ZJUUUORDSA-N 0 1 316.264 3.558 20 10 DHCDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894042374 1025667557 /nfs/dbraw/zinc/66/75/57/1025667557.db2.gz NEMAZGPKWDJIBP-LBPRGKRZSA-N 0 1 319.351 3.669 20 10 DHCDMN O=C(CCc1ccoc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839947 1026124780 /nfs/dbraw/zinc/12/47/80/1026124780.db2.gz NOEJAVZVVKVFJC-UHFFFAOYSA-N 0 1 314.168 3.541 20 10 DHCDMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840074 1026124856 /nfs/dbraw/zinc/12/48/56/1026124856.db2.gz XCMCYLBOHZMJHS-IAQYHMDHSA-N 0 1 316.228 3.997 20 10 DHCDMN CCc1occc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836207 1026128783 /nfs/dbraw/zinc/12/87/83/1026128783.db2.gz RSKOWKSOPTWQAM-UHFFFAOYSA-N 0 1 314.168 3.784 20 10 DHCDMN Cc1ccc(O)c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000093769048 1026129146 /nfs/dbraw/zinc/12/91/46/1026129146.db2.gz HJIQAJRQSCZMRF-DYVFJYSZSA-N 0 1 303.427 3.724 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC12CCCC2 ZINC000807837736 1026129594 /nfs/dbraw/zinc/12/95/94/1026129594.db2.gz BYMUJVMMKXOZPK-NSHDSACASA-N 0 1 314.212 3.896 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C12CCC(CC1)C2 ZINC000807838511 1026131524 /nfs/dbraw/zinc/13/15/24/1026131524.db2.gz VKWJLVPXJORUHT-UHFFFAOYSA-N 0 1 314.212 3.896 20 10 DHCDMN O=C(CCc1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837533 1026132012 /nfs/dbraw/zinc/13/20/12/1026132012.db2.gz UKCYRSLZZIVWHF-UHFFFAOYSA-N 0 1 324.207 3.948 20 10 DHCDMN Cc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837193 1026132307 /nfs/dbraw/zinc/13/23/07/1026132307.db2.gz GCZWURDHSXEAAB-UHFFFAOYSA-N 0 1 310.180 3.937 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCS1 ZINC000807838829 1026132329 /nfs/dbraw/zinc/13/23/29/1026132329.db2.gz RTFWHQVSBBNYPZ-NSHDSACASA-N 0 1 320.241 3.601 20 10 DHCDMN Cc1nc2[nH]ccc2c(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808090256 1026201554 /nfs/dbraw/zinc/20/15/54/1026201554.db2.gz WFUKUXKEPXIEPP-UHFFFAOYSA-N 0 1 323.183 3.891 20 10 DHCDMN CN(C)c1ccccc1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000808235555 1026240608 /nfs/dbraw/zinc/24/06/08/1026240608.db2.gz UKJZSVQKOVZYPN-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000808235555 1026240617 /nfs/dbraw/zinc/24/06/17/1026240617.db2.gz UKJZSVQKOVZYPN-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN Cn1nc(NCc2cc(Cl)cc(Cl)c2O)cc1C1CC1 ZINC000290016154 1026283062 /nfs/dbraw/zinc/28/30/62/1026283062.db2.gz ZETVWRHSBHHRPW-UHFFFAOYSA-N 0 1 312.200 3.922 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808726396 1026371965 /nfs/dbraw/zinc/37/19/65/1026371965.db2.gz ANSCRZZLULXYNT-VXGBXAGGSA-N 0 1 303.789 3.872 20 10 DHCDMN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000809644397 1026583090 /nfs/dbraw/zinc/58/30/90/1026583090.db2.gz YHDXUDKLBPAAKW-INIZCTEOSA-N 0 1 319.832 3.819 20 10 DHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700201 1026587920 /nfs/dbraw/zinc/58/79/20/1026587920.db2.gz ACNVTONEKXUGKH-NEPJUHHUSA-N 0 1 315.816 3.700 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218420 1026708999 /nfs/dbraw/zinc/70/89/99/1026708999.db2.gz TVIIXCMDWIEPPE-IHRRRGAJSA-N 0 1 317.351 3.755 20 10 DHCDMN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218967 1026709598 /nfs/dbraw/zinc/70/95/98/1026709598.db2.gz YPPBODHCXIIOHB-ZFWWWQNUSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218479 1026710437 /nfs/dbraw/zinc/71/04/37/1026710437.db2.gz UMCLMPHHYORMEE-ZFWWWQNUSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H](NCc1ccon1)c1ccc(C(F)(F)F)cc1O ZINC000810221273 1026711645 /nfs/dbraw/zinc/71/16/45/1026711645.db2.gz MZINUVNDHPCZPO-LBPRGKRZSA-N 0 1 300.280 3.640 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220227 1026711720 /nfs/dbraw/zinc/71/17/20/1026711720.db2.gz SEAPUSXOKLUGNM-MJVIPROJSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228159 1026712903 /nfs/dbraw/zinc/71/29/03/1026712903.db2.gz COXLTDUHAHRKPC-BXUZGUMPSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230883 1026715807 /nfs/dbraw/zinc/71/58/07/1026715807.db2.gz NEXZCRPQXOJOIJ-JOYOIKCWSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234517 1026716986 /nfs/dbraw/zinc/71/69/86/1026716986.db2.gz FHGJQSLTNDPWBZ-CWSCBRNRSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208442 1026719056 /nfs/dbraw/zinc/71/90/56/1026719056.db2.gz VHDHZGKDUFRBGR-WCQYABFASA-N 0 1 303.324 3.631 20 10 DHCDMN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237788 1026725796 /nfs/dbraw/zinc/72/57/96/1026725796.db2.gz WFQLTLKXOSXLLB-ZPSXMKBBSA-N 0 1 317.351 3.779 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238767 1026725837 /nfs/dbraw/zinc/72/58/37/1026725837.db2.gz MSCOHUPWMKBBFJ-UBHSHLNASA-N 0 1 317.351 3.611 20 10 DHCDMN CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239869 1026726303 /nfs/dbraw/zinc/72/63/03/1026726303.db2.gz ITKYPGAXBJUIDJ-AWEZNQCLSA-N 0 1 315.335 3.798 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240165 1026726459 /nfs/dbraw/zinc/72/64/59/1026726459.db2.gz PXSBGYIEJGUHGI-FZMZJTMJSA-N 0 1 319.367 3.716 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811510353 1027026175 /nfs/dbraw/zinc/02/61/75/1027026175.db2.gz CYJDNNTYMOFFRG-UKRRQHHQSA-N 0 1 313.800 3.574 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811510352 1027027140 /nfs/dbraw/zinc/02/71/40/1027027140.db2.gz CYJDNNTYMOFFRG-HIFRSBDPSA-N 0 1 313.800 3.574 20 10 DHCDMN CC1(C)C[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C1CC1 ZINC000811513330 1027028715 /nfs/dbraw/zinc/02/87/15/1027028715.db2.gz GFWODFALIXUWDV-CQSZACIVSA-N 0 1 310.235 3.775 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C1CC1 ZINC000811513330 1027028719 /nfs/dbraw/zinc/02/87/19/1027028719.db2.gz GFWODFALIXUWDV-CQSZACIVSA-N 0 1 310.235 3.775 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000295365523 1027232936 /nfs/dbraw/zinc/23/29/36/1027232936.db2.gz OCSIPCMDVQVGBQ-CYBMUJFWSA-N 0 1 309.772 3.635 20 10 DHCDMN COc1cc(C)cc(CNC(C)(C)c2nc(C)c(C)s2)c1O ZINC000894268208 1027238348 /nfs/dbraw/zinc/23/83/48/1027238348.db2.gz GVYPMWULEQXZFN-UHFFFAOYSA-N 0 1 320.458 3.807 20 10 DHCDMN Cc1cc(O)c(CNCc2nc3c(s2)CCCC3)cc1C ZINC000747811674 1027382915 /nfs/dbraw/zinc/38/29/15/1027382915.db2.gz HFLKHLPRRXDVHR-UHFFFAOYSA-N 0 1 302.443 3.634 20 10 DHCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000812776856 1027399814 /nfs/dbraw/zinc/39/98/14/1027399814.db2.gz QOBOMOTZBSZLDW-LBPRGKRZSA-N 0 1 304.217 3.698 20 10 DHCDMN Oc1cccc2c1[C@@H](NCc1c(F)cc(F)c(F)c1F)CC2 ZINC000296294647 1027599879 /nfs/dbraw/zinc/59/98/79/1027599879.db2.gz DGUVBNKTFJHZCY-LBPRGKRZSA-N 0 1 311.278 3.726 20 10 DHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000779009036 1027770885 /nfs/dbraw/zinc/77/08/85/1027770885.db2.gz IILSVSOGSCLVFV-OAHLLOKOSA-N 0 1 315.344 3.597 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365623108 1027987789 /nfs/dbraw/zinc/98/77/89/1027987789.db2.gz PQZXSOBAFFXADT-KBAYOESNSA-N 0 1 301.430 3.877 20 10 DHCDMN Cc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000527985748 1028041423 /nfs/dbraw/zinc/04/14/23/1028041423.db2.gz IMBHXBYEWNIVNM-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN CC(C)Oc1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000814634777 1028131397 /nfs/dbraw/zinc/13/13/97/1028131397.db2.gz ZICLTNWNAWVISQ-UHFFFAOYSA-N 0 1 302.422 3.526 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368040172 1028288800 /nfs/dbraw/zinc/28/88/00/1028288800.db2.gz HZRVSMUOBIMSNO-DZGCQCFKSA-N 0 1 313.401 3.593 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000815648000 1028591452 /nfs/dbraw/zinc/59/14/52/1028591452.db2.gz BHMQGQGJMCJRMQ-TZMCWYRMSA-N 0 1 311.853 3.885 20 10 DHCDMN Cc1nccnc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000815651262 1028595195 /nfs/dbraw/zinc/59/51/95/1028595195.db2.gz ORRPYRGYVMPWBB-CYBMUJFWSA-N 0 1 307.397 3.537 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccncc2OC)cc1 ZINC000189563983 1028614034 /nfs/dbraw/zinc/61/40/34/1028614034.db2.gz NQOJCYMIUIPBAO-HNNXBMFYSA-N 0 1 313.445 3.787 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188420 1028665954 /nfs/dbraw/zinc/66/59/54/1028665954.db2.gz NPROUTCYHBSWHY-AWEZNQCLSA-N 0 1 313.800 3.576 20 10 DHCDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@](CC)(CO)C2)cc1F ZINC000779218225 1028726417 /nfs/dbraw/zinc/72/64/17/1028726417.db2.gz WKHGGZOIWHTJDY-IBGZPJMESA-N 0 1 322.468 3.656 20 10 DHCDMN C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(F)ccc1[O-] ZINC000371862068 1028766319 /nfs/dbraw/zinc/76/63/19/1028766319.db2.gz ASOOUWDLPYZBMD-ZDUSSCGKSA-N 0 1 307.409 3.921 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816488546 1028891921 /nfs/dbraw/zinc/89/19/21/1028891921.db2.gz XXRPHUAGIRYEOY-CQSZACIVSA-N 0 1 310.756 3.818 20 10 DHCDMN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1[O-] ZINC000816482744 1028892923 /nfs/dbraw/zinc/89/29/23/1028892923.db2.gz RIRULDUVOYRIBD-UHFFFAOYSA-N 0 1 321.376 3.906 20 10 DHCDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1[O-] ZINC000816482744 1028892935 /nfs/dbraw/zinc/89/29/35/1028892935.db2.gz RIRULDUVOYRIBD-UHFFFAOYSA-N 0 1 321.376 3.906 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494030 1028896125 /nfs/dbraw/zinc/89/61/25/1028896125.db2.gz WHUNXKXVILYCGX-INIZCTEOSA-N 0 1 307.397 3.648 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc2ccccc21 ZINC000816494030 1028896141 /nfs/dbraw/zinc/89/61/41/1028896141.db2.gz WHUNXKXVILYCGX-INIZCTEOSA-N 0 1 307.397 3.648 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(OC)c1 ZINC000816536361 1028921683 /nfs/dbraw/zinc/92/16/83/1028921683.db2.gz SXTNFIQATRITNM-UHFFFAOYSA-N 0 1 323.392 3.852 20 10 DHCDMN CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC1 ZINC000816534841 1028923991 /nfs/dbraw/zinc/92/39/91/1028923991.db2.gz WJOKLMODRNTFTM-IBGZPJMESA-N 0 1 312.457 3.755 20 10 DHCDMN O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816548286 1028930245 /nfs/dbraw/zinc/93/02/45/1028930245.db2.gz BZOXBOSGSLZXTD-UHFFFAOYSA-N 0 1 322.364 3.786 20 10 DHCDMN C[NH+](C)CCc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816586703 1028937835 /nfs/dbraw/zinc/93/78/35/1028937835.db2.gz PZSSTBNDRRUILR-UHFFFAOYSA-N 0 1 322.811 3.901 20 10 DHCDMN Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816588082 1028938551 /nfs/dbraw/zinc/93/85/51/1028938551.db2.gz FNJMSCDHRUUXIY-LJQANCHMSA-N 0 1 321.420 3.547 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2ccc3c(c2)COC3)ccc2ccccc21 ZINC000816557670 1028940915 /nfs/dbraw/zinc/94/09/15/1028940915.db2.gz XOPIGBNZRYBMHY-UHFFFAOYSA-N 0 1 305.377 3.865 20 10 DHCDMN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559264 1028945227 /nfs/dbraw/zinc/94/52/27/1028945227.db2.gz CSBHSAWMQNWVLS-SUMWQHHRSA-N 0 1 311.381 3.740 20 10 DHCDMN Cc1ccc(O)c(CN2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000816642594 1028969918 /nfs/dbraw/zinc/96/99/18/1028969918.db2.gz DYSZZHWLOJBZBZ-OAHLLOKOSA-N 0 1 317.351 3.632 20 10 DHCDMN OC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000816666510 1028984697 /nfs/dbraw/zinc/98/46/97/1028984697.db2.gz OQEFSFBXXPBELA-INIZCTEOSA-N 0 1 311.425 3.654 20 10 DHCDMN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816666510 1028984708 /nfs/dbraw/zinc/98/47/08/1028984708.db2.gz OQEFSFBXXPBELA-INIZCTEOSA-N 0 1 311.425 3.654 20 10 DHCDMN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816666510 1028984725 /nfs/dbraw/zinc/98/47/25/1028984725.db2.gz OQEFSFBXXPBELA-INIZCTEOSA-N 0 1 311.425 3.654 20 10 DHCDMN CN(Cc1cn2c(n1)CCCC2)Cc1c(O)ccc2ccccc21 ZINC000373882191 1029161251 /nfs/dbraw/zinc/16/12/51/1029161251.db2.gz OQHKJAYNFUIMRN-UHFFFAOYSA-N 0 1 321.424 3.710 20 10 DHCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155455960 1029235446 /nfs/dbraw/zinc/23/54/46/1029235446.db2.gz CWCJRMFEWZMNOI-LBPRGKRZSA-N 0 1 304.217 3.700 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958639 1029298493 /nfs/dbraw/zinc/29/84/93/1029298493.db2.gz KZDPVZQWLNRLMD-OLZOCXBDSA-N 0 1 305.249 3.723 20 10 DHCDMN CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965453 1029304520 /nfs/dbraw/zinc/30/45/20/1029304520.db2.gz VBGRGASKEILZJH-LLVKDONJSA-N 0 1 303.233 3.621 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000817974696 1029315077 /nfs/dbraw/zinc/31/50/77/1029315077.db2.gz NRGPHVOKPWTMPL-YVEFUNNKSA-N 0 1 316.832 3.583 20 10 DHCDMN CCC[N@@H+](Cc1ccc(N(C)CC)nc1)Cc1ccccc1O ZINC000191290100 1029356159 /nfs/dbraw/zinc/35/61/59/1029356159.db2.gz XMTPUIMRTAHLSI-UHFFFAOYSA-N 0 1 313.445 3.656 20 10 DHCDMN CCOc1cccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231491 1029358138 /nfs/dbraw/zinc/35/81/38/1029358138.db2.gz XLBMUAQSVUWFOL-SJLPKXTDSA-N 0 1 301.361 3.518 20 10 DHCDMN CC(C)n1cncc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822442269 1030023247 /nfs/dbraw/zinc/02/32/47/1030023247.db2.gz BBIWDQZXCSIURO-UHFFFAOYSA-N 0 1 312.461 3.695 20 10 DHCDMN COc1ccccc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000865820880 1030042235 /nfs/dbraw/zinc/04/22/35/1030042235.db2.gz GJTCLBSFVZDQOO-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290896157 1030240573 /nfs/dbraw/zinc/24/05/73/1030240573.db2.gz LUJBBMZENHIDOF-GOEBONIOSA-N 0 1 307.821 3.579 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000866512733 1030338302 /nfs/dbraw/zinc/33/83/02/1030338302.db2.gz OKRXSVOOTBDYCX-UJFVYYJSSA-N 0 1 319.420 3.874 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000823608975 1030339228 /nfs/dbraw/zinc/33/92/28/1030339228.db2.gz MZNIYNKCHXSHEU-OAHLLOKOSA-N 0 1 320.358 3.947 20 10 DHCDMN Cc1cc(C)c([C@H](C)NCc2nn(C)cc2C(F)F)c(O)c1 ZINC000866568459 1030383357 /nfs/dbraw/zinc/38/33/57/1030383357.db2.gz VMUZFDBXZPQDBR-NSHDSACASA-N 0 1 309.360 3.531 20 10 DHCDMN Fc1cc2c(c(F)c1F)[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000823753609 1030386690 /nfs/dbraw/zinc/38/66/90/1030386690.db2.gz XQRIYQCCXIDARR-AWEZNQCLSA-N 0 1 319.326 3.816 20 10 DHCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000824850295 1030653581 /nfs/dbraw/zinc/65/35/81/1030653581.db2.gz KUSLTZOYYRJXLQ-MRXNPFEDSA-N 0 1 322.880 3.804 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000824895339 1030660964 /nfs/dbraw/zinc/66/09/64/1030660964.db2.gz UQOYSPBLWMWVQO-AWEZNQCLSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000824895339 1030660969 /nfs/dbraw/zinc/66/09/69/1030660969.db2.gz UQOYSPBLWMWVQO-AWEZNQCLSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939593 1030677668 /nfs/dbraw/zinc/67/76/68/1030677668.db2.gz YCUQMCXXHQXJKQ-ZIAGYGMSSA-N 0 1 309.837 3.603 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824942075 1030677013 /nfs/dbraw/zinc/67/70/13/1030677013.db2.gz VROLLFJJLLXLGW-GDBMZVCRSA-N 0 1 307.821 3.675 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939593 1030677658 /nfs/dbraw/zinc/67/76/58/1030677658.db2.gz YCUQMCXXHQXJKQ-ZIAGYGMSSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939593 1030677655 /nfs/dbraw/zinc/67/76/55/1030677655.db2.gz YCUQMCXXHQXJKQ-ZIAGYGMSSA-N 0 1 309.837 3.603 20 10 DHCDMN CC[C@H]([NH2+]CC1(CC)COC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825079103 1030721346 /nfs/dbraw/zinc/72/13/46/1030721346.db2.gz LPWDAZACOQQQQS-ZDUSSCGKSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825245105 1030758866 /nfs/dbraw/zinc/75/88/66/1030758866.db2.gz FHLPCFYJLSHUAA-UKRRQHHQSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CCCO)c2ccccc2)cc1Cl ZINC000825297299 1030768817 /nfs/dbraw/zinc/76/88/17/1030768817.db2.gz AHPOEIJKVRVXDZ-KRWDZBQOSA-N 0 1 319.832 3.957 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2[O-] ZINC000926915416 1030985723 /nfs/dbraw/zinc/98/57/23/1030985723.db2.gz GNGPLMBIUHOACP-KMXJZHQMSA-N 0 1 305.393 3.628 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc2ccccc2c1[O-] ZINC000926937640 1031006125 /nfs/dbraw/zinc/00/61/25/1031006125.db2.gz QPFPOCATTQFBLP-LLLHUVSDSA-N 0 1 309.409 3.787 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)c2c1c(F)ccc2[O-] ZINC000927070273 1031071231 /nfs/dbraw/zinc/07/12/31/1031071231.db2.gz RGVQNEYJZAEIAP-UJFVYYJSSA-N 0 1 319.420 3.874 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(O)c1F ZINC000872036019 1031419511 /nfs/dbraw/zinc/41/95/11/1031419511.db2.gz RNYTXZRXZBDYSQ-ZDUSSCGKSA-N 0 1 302.393 3.757 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001144307874 1031456578 /nfs/dbraw/zinc/45/65/78/1031456578.db2.gz KAPXEUVNHPUMSA-UHFFFAOYSA-N 0 1 314.198 3.668 20 10 DHCDMN Cc1noc(C)c1C(C)(C)NCc1ccc(N(C)C)c(C)c1 ZINC000293557748 1031519425 /nfs/dbraw/zinc/51/94/25/1031519425.db2.gz LXTSIEMTFGRHJI-UHFFFAOYSA-N 0 1 301.434 3.691 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260406 1031565825 /nfs/dbraw/zinc/56/58/25/1031565825.db2.gz PSMDERGAMPMJSU-MRXNPFEDSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260406 1031565839 /nfs/dbraw/zinc/56/58/39/1031565839.db2.gz PSMDERGAMPMJSU-MRXNPFEDSA-N 0 1 309.837 3.969 20 10 DHCDMN CCc1noc(C)c1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000293696441 1031576482 /nfs/dbraw/zinc/57/64/82/1031576482.db2.gz LPWDEWMUDASGMM-KRWDZBQOSA-N 0 1 301.434 3.852 20 10 DHCDMN CCCOc1ccc(CNCc2cnc3n2CCCC3)cc1C ZINC000873123549 1031718421 /nfs/dbraw/zinc/71/84/21/1031718421.db2.gz HDIHUKYRAVRZNZ-UHFFFAOYSA-N 0 1 313.445 3.606 20 10 DHCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000846012846 1031804110 /nfs/dbraw/zinc/80/41/10/1031804110.db2.gz BHVJZSJGFXFQLI-GFCCVEGCSA-N 0 1 301.789 3.574 20 10 DHCDMN CCCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1C ZINC000846059005 1031817485 /nfs/dbraw/zinc/81/74/85/1031817485.db2.gz WUNNJPWEVQLKKV-UHFFFAOYSA-N 0 1 307.825 3.559 20 10 DHCDMN CCOCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000846056668 1031818793 /nfs/dbraw/zinc/81/87/93/1031818793.db2.gz WHPYKENSHWJVTJ-UHFFFAOYSA-N 0 1 321.804 3.708 20 10 DHCDMN COc1cccc([C@H](C)N[C@H]2COc3c2cccc3Cl)c1O ZINC000846154812 1031885740 /nfs/dbraw/zinc/88/57/40/1031885740.db2.gz TYPHSODYMQWCDR-HZMBPMFUSA-N 0 1 319.788 3.839 20 10 DHCDMN COc1cccc([C@H](C)NCc2c(F)cc(F)cc2F)c1O ZINC000846172072 1031898327 /nfs/dbraw/zinc/89/83/27/1031898327.db2.gz WISNZXZEJKRAQG-VIFPVBQESA-N 0 1 311.303 3.669 20 10 DHCDMN Cc1ccoc1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825980187 1033369285 /nfs/dbraw/zinc/36/92/85/1033369285.db2.gz UNFMSDWXFGRABG-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN Cc1ccoc1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825980187 1033369294 /nfs/dbraw/zinc/36/92/94/1033369294.db2.gz UNFMSDWXFGRABG-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612016 1033383626 /nfs/dbraw/zinc/38/36/26/1033383626.db2.gz AWMCSJPHKWNKNW-BIBXISHDSA-N 0 1 319.769 3.858 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2CCC23CCOCC3)ccc2ccccc21 ZINC000877728451 1033423334 /nfs/dbraw/zinc/42/33/34/1033423334.db2.gz PCRJSPVNHOWBGA-QGZVFWFLSA-N 0 1 311.425 3.842 20 10 DHCDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877823525 1033474368 /nfs/dbraw/zinc/47/43/68/1033474368.db2.gz MCKZFXXIVOMUBJ-ZANVPECISA-N 0 1 323.742 3.587 20 10 DHCDMN Cc1c(CN(Cc2ccc(N(C)C)cc2)C2CC2)ccnc1F ZINC000862219770 1033782614 /nfs/dbraw/zinc/78/26/14/1033782614.db2.gz SMORFTXORWJUMS-UHFFFAOYSA-N 0 1 313.420 3.760 20 10 DHCDMN COc1cccc2c1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000862529497 1033876824 /nfs/dbraw/zinc/87/68/24/1033876824.db2.gz MFHXLQLDIORFED-UHFFFAOYSA-N 0 1 307.752 3.709 20 10 DHCDMN CC(C)C(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000808736159 1034250284 /nfs/dbraw/zinc/25/02/84/1034250284.db2.gz LQHFONJTCHBKKH-UHFFFAOYSA-N 0 1 301.386 3.603 20 10 DHCDMN CCOc1cc(NCc2ccc(F)c(F)c2O)ccc1OC ZINC000864019971 1034257319 /nfs/dbraw/zinc/25/73/19/1034257319.db2.gz WQRMOOYGVLIWBD-UHFFFAOYSA-N 0 1 309.312 3.690 20 10 DHCDMN CCOc1ccc(NCc2ccc(F)c(F)c2O)cc1OC ZINC000864023021 1034260984 /nfs/dbraw/zinc/26/09/84/1034260984.db2.gz IPQWXVOXVNHDPP-UHFFFAOYSA-N 0 1 309.312 3.690 20 10 DHCDMN Cc1nc(-c2cccc(NCc3ccc(F)c(F)c3O)c2)no1 ZINC000864026186 1034263518 /nfs/dbraw/zinc/26/35/18/1034263518.db2.gz XODYRHLCCYKVKL-UHFFFAOYSA-N 0 1 317.295 3.641 20 10 DHCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000183727052 1034414200 /nfs/dbraw/zinc/41/42/00/1034414200.db2.gz KBZUQMHNPYXRQP-JTQLQIEISA-N 0 1 321.764 3.542 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000184894716 1034510761 /nfs/dbraw/zinc/51/07/61/1034510761.db2.gz HZPGAMYXSFBEHX-GFCCVEGCSA-N 0 1 304.821 3.962 20 10 DHCDMN CCOCCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185070651 1034525543 /nfs/dbraw/zinc/52/55/43/1034525543.db2.gz WXHQRWOVHIOFBV-NSHDSACASA-N 0 1 316.239 3.622 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000185095506 1034527233 /nfs/dbraw/zinc/52/72/33/1034527233.db2.gz ZRUWTOGNLVFWGA-QLJPJBMISA-N 0 1 309.768 3.569 20 10 DHCDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(C)cc1O ZINC000794812558 1034529614 /nfs/dbraw/zinc/52/96/14/1034529614.db2.gz MJNSMBJISVIXEC-KRWDZBQOSA-N 0 1 308.385 3.845 20 10 DHCDMN CCc1nc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426426 1034545570 /nfs/dbraw/zinc/54/55/70/1034545570.db2.gz UHCLZPDJJSXGJI-QWRGUYRKSA-N 0 1 306.431 3.832 20 10 DHCDMN C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000185518507 1034554682 /nfs/dbraw/zinc/55/46/82/1034554682.db2.gz QBZFJUDQPLFONY-BMIGLBTASA-N 0 1 311.834 3.665 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000185548140 1034556147 /nfs/dbraw/zinc/55/61/47/1034556147.db2.gz LCDQWQPRTYHNLP-LRDDRELGSA-N 0 1 319.401 3.595 20 10 DHCDMN COC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000193280667 1034839408 /nfs/dbraw/zinc/83/94/08/1034839408.db2.gz QWNNEFJMXJFEFU-QGZVFWFLSA-N 0 1 317.816 3.752 20 10 DHCDMN CN(C)c1ccc(/C=C\CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001178998301 1035460702 /nfs/dbraw/zinc/46/07/02/1035460702.db2.gz IVLVYJDZVVJSDE-KJYWSYJISA-N 0 1 310.416 3.993 20 10 DHCDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC001179631620 1035488204 /nfs/dbraw/zinc/48/82/04/1035488204.db2.gz QWYKUJPTRYVJIX-NSHDSACASA-N 0 1 313.825 3.503 20 10 DHCDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC001179631619 1035488517 /nfs/dbraw/zinc/48/85/17/1035488517.db2.gz QWYKUJPTRYVJIX-LLVKDONJSA-N 0 1 313.825 3.503 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775555548 1035522357 /nfs/dbraw/zinc/52/23/57/1035522357.db2.gz ZXXXRNCKCHKZES-KBPBESRZSA-N 0 1 309.793 3.803 20 10 DHCDMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC001179958402 1035560927 /nfs/dbraw/zinc/56/09/27/1035560927.db2.gz ZNGPGHSFFAXTKP-HOCLYGCPSA-N 0 1 315.816 3.820 20 10 DHCDMN CC(=O)c1cccc(NC(=O)c2ccc(O)c(O)c2Cl)c1C ZINC001193229779 1035596171 /nfs/dbraw/zinc/59/61/71/1035596171.db2.gz NIYQWMMLVKGRFB-UHFFFAOYSA-N 0 1 319.744 3.515 20 10 DHCDMN O=C(Nc1ccc(C2CCC2)nc1)c1cc(O)c(O)c(Cl)c1 ZINC001193605745 1035689780 /nfs/dbraw/zinc/68/97/80/1035689780.db2.gz JPRQMOACDCDRNF-UHFFFAOYSA-N 0 1 318.760 3.666 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1Cl ZINC001181112796 1035835598 /nfs/dbraw/zinc/83/55/98/1035835598.db2.gz MPZVXQAXFKEPAH-GOSISDBHSA-N 0 1 319.832 3.741 20 10 DHCDMN CCc1cccc(CN2CCC(C)=C(Br)C2)c1O ZINC001181254609 1035884860 /nfs/dbraw/zinc/88/48/60/1035884860.db2.gz IYLFXXNJXBDQBC-UHFFFAOYSA-N 0 1 310.235 3.829 20 10 DHCDMN COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000775643478 1036164943 /nfs/dbraw/zinc/16/49/43/1036164943.db2.gz YTKNEJZYFWGTFC-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN C[N@@H+](CCCOc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000775655061 1036240363 /nfs/dbraw/zinc/24/03/63/1036240363.db2.gz TVBBEWSDGOPDRW-UHFFFAOYSA-N 0 1 305.805 3.947 20 10 DHCDMN COCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775656804 1036262101 /nfs/dbraw/zinc/26/21/01/1036262101.db2.gz MWPSXPZCKAXJPL-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN CN1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])Cc2ccccc21 ZINC000775675788 1036395581 /nfs/dbraw/zinc/39/55/81/1036395581.db2.gz CKVMNJAQTVEDIF-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN CC(C)c1ccc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC001182968711 1036489085 /nfs/dbraw/zinc/48/90/85/1036489085.db2.gz DWPXPQLQMHVDQX-SJCJKPOMSA-N 0 1 313.388 3.760 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC001183156611 1036541422 /nfs/dbraw/zinc/54/14/22/1036541422.db2.gz OAJHGNGCSSROHU-GFCCVEGCSA-N 0 1 321.779 3.880 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCCCO3)CC2)c(Cl)c1 ZINC001183490082 1036595926 /nfs/dbraw/zinc/59/59/26/1036595926.db2.gz AVNHSXWBBQTQLU-UHFFFAOYSA-N 0 1 309.837 3.889 20 10 DHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000775741392 1036606443 /nfs/dbraw/zinc/60/64/43/1036606443.db2.gz OUIXBSAUZKEJEW-HUUCEWRRSA-N 0 1 309.837 3.825 20 10 DHCDMN C[C@@H]1CCOCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774650717 1036629862 /nfs/dbraw/zinc/62/98/62/1036629862.db2.gz ROBOOJXTIYGECP-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@@H]1CCOCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774650717 1036629873 /nfs/dbraw/zinc/62/98/73/1036629873.db2.gz ROBOOJXTIYGECP-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[O-])c(OC)c1 ZINC001184314085 1036797525 /nfs/dbraw/zinc/79/75/25/1036797525.db2.gz DWLSURMCICBROG-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)n1-c1ccccc1C ZINC000261871457 1036928265 /nfs/dbraw/zinc/92/82/65/1036928265.db2.gz VGHFXHSWKMAAJR-UHFFFAOYSA-N 0 1 322.412 3.790 20 10 DHCDMN CCc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000915789517 1037187564 /nfs/dbraw/zinc/18/75/64/1037187564.db2.gz HJRDITSGJSIKLA-ZIAGYGMSSA-N 0 1 305.462 3.861 20 10 DHCDMN CCCCC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911611 1037207143 /nfs/dbraw/zinc/20/71/43/1037207143.db2.gz ICAMMDXQMCOIMM-CQSZACIVSA-N 0 1 322.405 3.854 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825529580 1037339543 /nfs/dbraw/zinc/33/95/43/1037339543.db2.gz FFYNPSLSHGNDHU-IRXDYDNUSA-N 0 1 309.837 3.649 20 10 DHCDMN C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000689896187 1037973564 /nfs/dbraw/zinc/97/35/64/1037973564.db2.gz OLAOEQJGANMRNC-UHFFFAOYSA-N 0 1 306.233 3.946 20 10 DHCDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775362605 1038274841 /nfs/dbraw/zinc/27/48/41/1038274841.db2.gz IPUIWXMNHPYRJI-GFCCVEGCSA-N 0 1 317.364 3.651 20 10 DHCDMN CCn1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc21 ZINC000775363295 1038275269 /nfs/dbraw/zinc/27/52/69/1038275269.db2.gz MHIVCKLTMBEGNV-HNNXBMFYSA-N 0 1 322.456 3.973 20 10 DHCDMN C[C@@H](NCc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000775365120 1038275449 /nfs/dbraw/zinc/27/54/49/1038275449.db2.gz UEUHPQPZBQPLEC-GFCCVEGCSA-N 0 1 301.459 3.549 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775483371 1038550946 /nfs/dbraw/zinc/55/09/46/1038550946.db2.gz SJFGIXAYWUXSQI-NVXWUHKLSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1[O-] ZINC000775491152 1038559859 /nfs/dbraw/zinc/55/98/59/1038559859.db2.gz YXVUYWHPGGXMOK-INIZCTEOSA-N 0 1 305.805 3.779 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775513864 1038608710 /nfs/dbraw/zinc/60/87/10/1038608710.db2.gz VJLHLNOWLZVHHJ-UVBJJODRSA-N 0 1 308.853 3.569 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2nn(C)c3ccccc23)cc1 ZINC000760896111 1039038775 /nfs/dbraw/zinc/03/87/75/1039038775.db2.gz DMNAYJJNHJSTTE-HNNXBMFYSA-N 0 1 322.456 3.880 20 10 DHCDMN COCC[C@@H](NCc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000272359265 130022961 /nfs/dbraw/zinc/02/29/61/130022961.db2.gz VXMAZWWHKCSQOY-MRXNPFEDSA-N 0 1 303.402 3.772 20 10 DHCDMN CC[C@H](N[C@@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864203 130070082 /nfs/dbraw/zinc/07/00/82/130070082.db2.gz NKPJJLPQIUBTFD-ZFWWWQNUSA-N 0 1 314.433 3.512 20 10 DHCDMN C[C@@H](NCc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000272914186 130073338 /nfs/dbraw/zinc/07/33/38/130073338.db2.gz WZUKCHDOGWYWTC-SNVBAGLBSA-N 0 1 311.303 3.984 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000273491765 130128220 /nfs/dbraw/zinc/12/82/20/130128220.db2.gz OJGUBLZLUGGBBD-BMIGLBTASA-N 0 1 309.768 3.569 20 10 DHCDMN Cc1nnc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287692 130223076 /nfs/dbraw/zinc/22/30/76/130223076.db2.gz ZSUKYJNJRFNVGD-MNOVXSKESA-N 0 1 317.458 3.843 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cn1 ZINC000274909503 130273448 /nfs/dbraw/zinc/27/34/48/130273448.db2.gz MYCJBBIWKSUNHS-NSHDSACASA-N 0 1 307.800 3.791 20 10 DHCDMN Cc1cc(O)c(CNCc2c(F)cc(F)c(F)c2F)cc1C ZINC000281612188 130874113 /nfs/dbraw/zinc/87/41/13/130874113.db2.gz KTSWDSHEXYNCQX-UHFFFAOYSA-N 0 1 313.294 3.855 20 10 DHCDMN CC[C@@H](NCc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000284363276 131074126 /nfs/dbraw/zinc/07/41/26/131074126.db2.gz NEJLIVLZVFKHHO-LJQANCHMSA-N 0 1 321.424 3.878 20 10 DHCDMN COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000271651998 334025029 /nfs/dbraw/zinc/02/50/29/334025029.db2.gz JDHBYXMRXMLZJV-NSHDSACASA-N 0 1 317.360 3.593 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368241806 336841026 /nfs/dbraw/zinc/84/10/26/336841026.db2.gz HHMPNYJKSMLAEI-KRWDZBQOSA-N 0 1 311.425 3.794 20 10 DHCDMN CC[C@H](N[C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339164 337191469 /nfs/dbraw/zinc/19/14/69/337191469.db2.gz DLODATFYCJUOHX-PBHICJAKSA-N 0 1 322.412 3.775 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112762 337253805 /nfs/dbraw/zinc/25/38/05/337253805.db2.gz AXIJDUCEJDYCCC-CABCVRRESA-N 0 1 322.412 3.693 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113198 337253855 /nfs/dbraw/zinc/25/38/55/337253855.db2.gz RLKSYVCSXOULTB-GJZGRUSLSA-N 0 1 322.412 3.693 20 10 DHCDMN CN1Cc2ccc(NCc3c(O)ccc(Cl)c3F)cc2C1 ZINC000191407967 337296792 /nfs/dbraw/zinc/29/67/92/337296792.db2.gz CHEZRHFTVXITTK-UHFFFAOYSA-N 0 1 306.768 3.742 20 10 DHCDMN COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000527992702 337778415 /nfs/dbraw/zinc/77/84/15/337778415.db2.gz ZUUTXPCUBSBRPK-CQSZACIVSA-N 0 1 322.408 3.842 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1F ZINC000158707573 520911271 /nfs/dbraw/zinc/91/12/71/520911271.db2.gz VIYIVHQJHRMWHJ-AWEZNQCLSA-N 0 1 318.440 3.739 20 10 DHCDMN COc1cccc(CN2CCC[C@H]2c2csc(C)n2)c1O ZINC000189919112 525941101 /nfs/dbraw/zinc/94/11/01/525941101.db2.gz JNXSQALZPNZRJK-AWEZNQCLSA-N 0 1 304.415 3.503 20 10 DHCDMN CC(C)(O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000274857782 535326167 /nfs/dbraw/zinc/32/61/67/535326167.db2.gz YYUXJXKXNYVUGU-UHFFFAOYSA-N 0 1 305.805 3.563 20 10 DHCDMN Cc1cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000738383916 599935567 /nfs/dbraw/zinc/93/55/67/599935567.db2.gz YWSFZMXEDXJGKB-ZDUSSCGKSA-N 0 1 319.445 3.683 20 10 DHCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000369596840 1013212800 /nfs/dbraw/zinc/21/28/00/1013212800.db2.gz LDBIVVAXUVZWMU-UXLLHSPISA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000369596840 1013212810 /nfs/dbraw/zinc/21/28/10/1013212810.db2.gz LDBIVVAXUVZWMU-UXLLHSPISA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000369596840 1013212817 /nfs/dbraw/zinc/21/28/17/1013212817.db2.gz LDBIVVAXUVZWMU-UXLLHSPISA-N 0 1 309.837 3.561 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1F ZINC001140129656 1013466749 /nfs/dbraw/zinc/46/67/49/1013466749.db2.gz HWURPMMCTRKATD-UHFFFAOYSA-N 0 1 302.393 3.619 20 10 DHCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001591973949 976582807 /nfs/dbraw/zinc/58/28/07/976582807.db2.gz LMNCXSLBOYOQCH-AWEZNQCLSA-N 0 1 305.418 3.592 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc4ccoc4c3)cc2)CC1 ZINC001167434274 1014348143 /nfs/dbraw/zinc/34/81/43/1014348143.db2.gz GBGHEZBKUAOGCJ-UHFFFAOYSA-N 0 1 321.424 3.797 20 10 DHCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000126893230 1014500745 /nfs/dbraw/zinc/50/07/45/1014500745.db2.gz IGXZMIUBYJHTKF-INIZCTEOSA-N 0 1 305.805 3.601 20 10 DHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000126893230 1014500792 /nfs/dbraw/zinc/50/07/92/1014500792.db2.gz IGXZMIUBYJHTKF-INIZCTEOSA-N 0 1 305.805 3.601 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2c1NCCC2 ZINC000895141430 1014580209 /nfs/dbraw/zinc/58/02/09/1014580209.db2.gz ZUZMCOULUSOJQZ-UHFFFAOYSA-N 0 1 302.805 3.694 20 10 DHCDMN Cn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C2CCCC2)n1 ZINC000895155281 1014655065 /nfs/dbraw/zinc/65/50/65/1014655065.db2.gz HEJHMAIQRDMOFT-UHFFFAOYSA-N 0 1 319.836 3.727 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cccc(F)c1 ZINC000706885269 1014702501 /nfs/dbraw/zinc/70/25/01/1014702501.db2.gz UVFOHZGCFCQRQB-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000707129729 1015085939 /nfs/dbraw/zinc/08/59/39/1015085939.db2.gz RIYPILTVMMDWQI-FZMZJTMJSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000707129729 1015085945 /nfs/dbraw/zinc/08/59/45/1015085945.db2.gz RIYPILTVMMDWQI-FZMZJTMJSA-N 0 1 310.235 3.919 20 10 DHCDMN CC[C@H]1COCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738081760 1015159588 /nfs/dbraw/zinc/15/95/88/1015159588.db2.gz ODWDICSDGCSKOW-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN CC[C@H]1COCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738081760 1015159596 /nfs/dbraw/zinc/15/95/96/1015159596.db2.gz ODWDICSDGCSKOW-AWEZNQCLSA-N 0 1 311.381 3.902 20 10 DHCDMN COc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000895690722 1015258901 /nfs/dbraw/zinc/25/89/01/1015258901.db2.gz KYXFUGWSSPNPQF-SJLPKXTDSA-N 0 1 301.361 3.516 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccoc1 ZINC000178205054 1015467881 /nfs/dbraw/zinc/46/78/81/1015467881.db2.gz JWZQFFIBLCBHRR-CQSZACIVSA-N 0 1 302.443 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229465 1015513900 /nfs/dbraw/zinc/51/39/00/1015513900.db2.gz ZBIYRWZYFIZXHC-LBPRGKRZSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896229465 1015513912 /nfs/dbraw/zinc/51/39/12/1015513912.db2.gz ZBIYRWZYFIZXHC-LBPRGKRZSA-N 0 1 323.717 3.912 20 10 DHCDMN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000277010797 1015848883 /nfs/dbraw/zinc/84/88/83/1015848883.db2.gz BWHZCQRHGVFEAI-ZETCQYMHSA-N 0 1 306.150 3.603 20 10 DHCDMN CC[C@@H](N[C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccccc1O ZINC000277097117 1015871031 /nfs/dbraw/zinc/87/10/31/1015871031.db2.gz GULJBDKSKXWBRT-OUCADQQQSA-N 0 1 302.422 3.826 20 10 DHCDMN Cc1csc(C2(NCc3ccc(N(C)C)c(C)c3)CCC2)n1 ZINC000294727732 1032131991 /nfs/dbraw/zinc/13/19/91/1032131991.db2.gz WBRHSPVVHKYPMC-UHFFFAOYSA-N 0 1 315.486 3.995 20 10 DHCDMN CCc1cc(CN2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000108927901 1016909231 /nfs/dbraw/zinc/90/92/31/1016909231.db2.gz GMCWJILSJOGRHX-KBPBESRZSA-N 0 1 305.462 3.861 20 10 DHCDMN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185540428 1016991673 /nfs/dbraw/zinc/99/16/73/1016991673.db2.gz VNPPYSZUVWADJR-ZDUSSCGKSA-N 0 1 315.413 3.928 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897082526 1017034649 /nfs/dbraw/zinc/03/46/49/1017034649.db2.gz UCPMPEXMORYCEU-DYVFJYSZSA-N 0 1 309.837 3.649 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000773002770 1032521201 /nfs/dbraw/zinc/52/12/01/1032521201.db2.gz YVUWDEWNTHBOLS-AWEZNQCLSA-N 0 1 313.401 3.820 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000773135304 1032568185 /nfs/dbraw/zinc/56/81/85/1032568185.db2.gz COGVFAIKZFPSCP-KGLIPLIRSA-N 0 1 315.465 3.796 20 10 DHCDMN Cc1cc(CN[C@@H]2CCCc3c[nH]nc32)c(C)n1-c1ccccc1 ZINC000857871999 1032698117 /nfs/dbraw/zinc/69/81/17/1032698117.db2.gz ZXYYEWKBQMAXSK-LJQANCHMSA-N 0 1 320.440 3.984 20 10 DHCDMN CCSCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701056879 1017993840 /nfs/dbraw/zinc/99/38/40/1017993840.db2.gz KKLZHOJNWIHYDO-SNVBAGLBSA-N 0 1 318.280 3.776 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000178849759 1018311032 /nfs/dbraw/zinc/31/10/32/1018311032.db2.gz ZOENEGHHUVIKAS-SFHVURJKSA-N 0 1 315.388 3.722 20 10 DHCDMN CC(C)(C)c1coc(CNCCCSc2nccs2)n1 ZINC000921755389 1018764352 /nfs/dbraw/zinc/76/43/52/1018764352.db2.gz SAAZBOITIBTDOZ-UHFFFAOYSA-N 0 1 311.476 3.701 20 10 DHCDMN Oc1cccc(Br)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000707132516 1018784219 /nfs/dbraw/zinc/78/42/19/1018784219.db2.gz REACXYFDJPWDMA-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000707132516 1018784228 /nfs/dbraw/zinc/78/42/28/1018784228.db2.gz REACXYFDJPWDMA-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC(F)(F)CC1 ZINC000707132516 1018784235 /nfs/dbraw/zinc/78/42/35/1018784235.db2.gz REACXYFDJPWDMA-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN Cc1ccc(C(C)(C)NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858156786 1032787706 /nfs/dbraw/zinc/78/77/06/1032787706.db2.gz NLIFXDOWIKLRGB-UHFFFAOYSA-N 0 1 319.399 3.759 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000842928943 1018925601 /nfs/dbraw/zinc/92/56/01/1018925601.db2.gz MYIRQKODSOCKEU-YGOYTEALSA-N 0 1 316.264 3.699 20 10 DHCDMN CCn1cc(CNCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858292716 1032831244 /nfs/dbraw/zinc/83/12/44/1032831244.db2.gz DKMQGDRYLRXHQH-UHFFFAOYSA-N 0 1 308.429 3.600 20 10 DHCDMN Cc1cc(CNCc2conc2C)c(C)n1-c1cccc(C)c1 ZINC000858293954 1032833622 /nfs/dbraw/zinc/83/36/22/1032833622.db2.gz SBRSSFGRRKYWDB-UHFFFAOYSA-N 0 1 309.413 3.989 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1Cl ZINC000132283613 1019529176 /nfs/dbraw/zinc/52/91/76/1019529176.db2.gz AJVZAJHDUWDUEG-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN CCOCc1cc(CN[C@H](C)c2ccns2)ccc1OC ZINC000858317374 1032844054 /nfs/dbraw/zinc/84/40/54/1032844054.db2.gz MRBMJVBUMGXEAW-GFCCVEGCSA-N 0 1 306.431 3.539 20 10 DHCDMN CCCN(Cc1ccn(-c2ccccc2)n1)Cc1ccccc1O ZINC000727830693 1019819244 /nfs/dbraw/zinc/81/92/44/1019819244.db2.gz HIYSOVGVWIQPMH-UHFFFAOYSA-N 0 1 321.424 3.990 20 10 DHCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000294309355 1019959614 /nfs/dbraw/zinc/95/96/14/1019959614.db2.gz VTNIHJSKMCWXHB-AWEZNQCLSA-N 0 1 304.217 3.557 20 10 DHCDMN CN(C)c1ccc(/C=C\CNCc2nc3c(s2)CCC3)cc1 ZINC000922472803 1020089720 /nfs/dbraw/zinc/08/97/20/1020089720.db2.gz OTRQERLWUMDKTA-PLNGDYQASA-N 0 1 313.470 3.501 20 10 DHCDMN Cc1nc(CN(Cc2ccccc2O)C2CCCC2)oc1C ZINC000731845919 1020158315 /nfs/dbraw/zinc/15/83/15/1020158315.db2.gz NOKVXNKBNRZEFR-UHFFFAOYSA-N 0 1 300.402 3.942 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCc2ccccc21 ZINC000733324014 1020371917 /nfs/dbraw/zinc/37/19/17/1020371917.db2.gz DHYWXHGVYMZYKA-ZDUSSCGKSA-N 0 1 316.832 3.586 20 10 DHCDMN CN(C)c1ccc(CNCc2nccc3ccccc32)cc1F ZINC000733325281 1020374807 /nfs/dbraw/zinc/37/48/07/1020374807.db2.gz BUOHGUBWQHLUMV-UHFFFAOYSA-N 0 1 309.388 3.730 20 10 DHCDMN COc1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1C ZINC000733331831 1020376888 /nfs/dbraw/zinc/37/68/88/1020376888.db2.gz JFUZPQWJSBGWII-INIZCTEOSA-N 0 1 313.397 3.626 20 10 DHCDMN COc1cc(CN2CCC[C@@H]2c2csc(C)n2)c(O)cc1C ZINC000186848881 1020509322 /nfs/dbraw/zinc/50/93/22/1020509322.db2.gz NMMLKGDJBLVBSM-OAHLLOKOSA-N 0 1 318.442 3.811 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000735321549 1020719027 /nfs/dbraw/zinc/71/90/27/1020719027.db2.gz VXNIYTHCUYGSDJ-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccnn2C)c(C)n1-c1ccccc1 ZINC000858543156 1032938588 /nfs/dbraw/zinc/93/85/88/1032938588.db2.gz QMAMSYBLPKKEDZ-HNNXBMFYSA-N 0 1 308.429 3.678 20 10 DHCDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000742160242 1021096135 /nfs/dbraw/zinc/09/61/35/1021096135.db2.gz VVZCEHHJBDXBEN-CQSZACIVSA-N 0 1 304.393 3.887 20 10 DHCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000742160242 1021096140 /nfs/dbraw/zinc/09/61/40/1021096140.db2.gz VVZCEHHJBDXBEN-CQSZACIVSA-N 0 1 304.393 3.887 20 10 DHCDMN CC[N@H+](CCCSC)Cc1cc(Br)ccc1[O-] ZINC000743871024 1021398498 /nfs/dbraw/zinc/39/84/98/1021398498.db2.gz MQFAOHHIFXEXFX-UHFFFAOYSA-N 0 1 318.280 3.730 20 10 DHCDMN CC[N@@H+](CCCSC)Cc1cc(Br)ccc1[O-] ZINC000743871024 1021398514 /nfs/dbraw/zinc/39/85/14/1021398514.db2.gz MQFAOHHIFXEXFX-UHFFFAOYSA-N 0 1 318.280 3.730 20 10 DHCDMN COc1cc(CNCc2cccc(F)n2)c(O)c(C(C)(C)C)c1 ZINC000850221153 1021444568 /nfs/dbraw/zinc/44/45/68/1021444568.db2.gz CMZAETDIQDCLDC-UHFFFAOYSA-N 0 1 318.392 3.522 20 10 DHCDMN CC[C@](C)(NCc1cc(OC)ccc1O)c1nc(C)cs1 ZINC000182226619 1021559378 /nfs/dbraw/zinc/55/93/78/1021559378.db2.gz BUXATCUDRGWUPV-INIZCTEOSA-N 0 1 306.431 3.581 20 10 DHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000850573058 1021616742 /nfs/dbraw/zinc/61/67/42/1021616742.db2.gz TZWNQFLKYTVPOW-HOTGVXAUSA-N 0 1 312.461 3.822 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2ccn(C3CCCC3)n2)c1 ZINC000182450887 1021658729 /nfs/dbraw/zinc/65/87/29/1021658729.db2.gz BCRSNGDEGPDAIP-ZDUSSCGKSA-N 0 1 315.417 3.563 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cnc(F)cc2C)cc1F ZINC000892947280 1021719047 /nfs/dbraw/zinc/71/90/47/1021719047.db2.gz BICLFZLLGHSKIH-UHFFFAOYSA-N 0 1 319.399 3.804 20 10 DHCDMN C[C@H](NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000065430398 1021884880 /nfs/dbraw/zinc/88/48/80/1021884880.db2.gz PUKNCUAIDLHLEL-HNNXBMFYSA-N 0 1 314.404 3.513 20 10 DHCDMN COc1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546305 1022289449 /nfs/dbraw/zinc/28/94/49/1022289449.db2.gz ZAOIUPAJRIAITE-MRXNPFEDSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(CN2CC[C@@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546305 1022289460 /nfs/dbraw/zinc/28/94/60/1022289460.db2.gz ZAOIUPAJRIAITE-MRXNPFEDSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(C)cc(CN(C)Cc2cc(C)ccc2F)c1O ZINC000766633453 1022321421 /nfs/dbraw/zinc/32/14/21/1022321421.db2.gz UCCSFPKRWCDYEZ-UHFFFAOYSA-N 0 1 303.377 3.789 20 10 DHCDMN Cc1cc(CN2CCO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776770420 1022559454 /nfs/dbraw/zinc/55/94/54/1022559454.db2.gz APVRDSCIQRISSH-QGZVFWFLSA-N 0 1 303.446 3.609 20 10 DHCDMN CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000318995241 1022730432 /nfs/dbraw/zinc/73/04/32/1022730432.db2.gz NMSXKSWJEMIZKW-HUUCEWRRSA-N 0 1 300.446 3.926 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000076275411 1022754822 /nfs/dbraw/zinc/75/48/22/1022754822.db2.gz CDEZITOBEOZRKG-UHFFFAOYSA-N 0 1 324.193 3.626 20 10 DHCDMN C[N@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000768159931 1022906244 /nfs/dbraw/zinc/90/62/44/1022906244.db2.gz IUGJNRLZTSKKFY-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1[O-] ZINC000768159931 1022906251 /nfs/dbraw/zinc/90/62/51/1022906251.db2.gz IUGJNRLZTSKKFY-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CCCCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768241129 1022925625 /nfs/dbraw/zinc/92/56/25/1022925625.db2.gz KEWMTJVYPFNKDB-UHFFFAOYSA-N 0 1 306.233 3.684 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cnn3ccccc23)C2CC2)cc1 ZINC000768257749 1022932058 /nfs/dbraw/zinc/93/20/58/1022932058.db2.gz PBPVLWIVIWQJNX-UHFFFAOYSA-N 0 1 320.440 3.565 20 10 DHCDMN COc1cccc(O)c1CN(C)[C@@H](C)c1sc(C)nc1C ZINC000769380291 1023136403 /nfs/dbraw/zinc/13/64/03/1023136403.db2.gz FWYPTWNSZMPOPD-NSHDSACASA-N 0 1 306.431 3.667 20 10 DHCDMN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769499877 1023168960 /nfs/dbraw/zinc/16/89/60/1023168960.db2.gz XFKXPFWWXGRCIE-OAHLLOKOSA-N 0 1 319.832 3.819 20 10 DHCDMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000769499877 1023168962 /nfs/dbraw/zinc/16/89/62/1023168962.db2.gz XFKXPFWWXGRCIE-OAHLLOKOSA-N 0 1 319.832 3.819 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286395 1023291389 /nfs/dbraw/zinc/29/13/89/1023291389.db2.gz NZFLBHKLSJEQCV-YGRLFVJLSA-N 0 1 316.228 3.700 20 10 DHCDMN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756635482 1023292265 /nfs/dbraw/zinc/29/22/65/1023292265.db2.gz GBOOILQUEKTBTD-BLLLJJGKSA-N 0 1 305.805 3.738 20 10 DHCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770668242 1023335713 /nfs/dbraw/zinc/33/57/13/1023335713.db2.gz XDMXELMKKDWVEM-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770668242 1023335719 /nfs/dbraw/zinc/33/57/19/1023335719.db2.gz XDMXELMKKDWVEM-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770668242 1023335722 /nfs/dbraw/zinc/33/57/22/1023335722.db2.gz XDMXELMKKDWVEM-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(F)c(F)c1[O-] ZINC000876725788 1033129240 /nfs/dbraw/zinc/12/92/40/1033129240.db2.gz XLZDCIKLJZDXKS-UHFFFAOYSA-N 0 1 324.396 3.638 20 10 DHCDMN C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(F)c(F)c1[O-] ZINC000876725788 1033129245 /nfs/dbraw/zinc/12/92/45/1033129245.db2.gz XLZDCIKLJZDXKS-UHFFFAOYSA-N 0 1 324.396 3.638 20 10 DHCDMN [O-]c1c(C[N@@H+](CCC(F)(F)F)CC2CC2)ccc(F)c1F ZINC000876805330 1033148178 /nfs/dbraw/zinc/14/81/78/1033148178.db2.gz CKGSETOUBUAMLL-UHFFFAOYSA-N 0 1 309.278 3.835 20 10 DHCDMN CC[C@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000786836824 1023728574 /nfs/dbraw/zinc/72/85/74/1023728574.db2.gz OXNYURAICXXKIL-VIFPVBQESA-N 0 1 312.129 3.585 20 10 DHCDMN CO[C@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786952268 1023740390 /nfs/dbraw/zinc/74/03/90/1023740390.db2.gz ZSLVKKANGUKMEU-PRHODGIISA-N 0 1 311.731 3.664 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000746717646 1023833804 /nfs/dbraw/zinc/83/38/04/1023833804.db2.gz YQRVHNRZLSXFNW-KRWDZBQOSA-N 0 1 304.393 3.930 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000746717646 1023833809 /nfs/dbraw/zinc/83/38/09/1023833809.db2.gz YQRVHNRZLSXFNW-KRWDZBQOSA-N 0 1 304.393 3.930 20 10 DHCDMN Cc1cc(C)c([C@H](C)NCc2nccn2CC(C)C)c(O)c1 ZINC000788616197 1023914593 /nfs/dbraw/zinc/91/45/93/1023914593.db2.gz YEENGUDAPDSJSM-HNNXBMFYSA-N 0 1 301.434 3.712 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185465192 1024027848 /nfs/dbraw/zinc/02/78/48/1024027848.db2.gz UETVWIXZCASIIZ-AUUYWEPGSA-N 0 1 307.393 3.930 20 10 DHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000270113833 1024351824 /nfs/dbraw/zinc/35/18/24/1024351824.db2.gz NKLSYNADNVLEJK-MQJDWESPSA-N 0 1 323.845 3.634 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Br)o1 ZINC000790965017 1024406782 /nfs/dbraw/zinc/40/67/82/1024406782.db2.gz ZLFBAUHABVLWHM-UHFFFAOYSA-N 0 1 323.234 3.706 20 10 DHCDMN COc1ccccc1[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000271667918 1024559202 /nfs/dbraw/zinc/55/92/02/1024559202.db2.gz HKOBJGCTNSQRAZ-NSHDSACASA-N 0 1 317.360 3.593 20 10 DHCDMN C[C@@H]1COCCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000772822689 1024836856 /nfs/dbraw/zinc/83/68/56/1024836856.db2.gz INKSTJICSJGXIB-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@@H]1COCCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000772822689 1024836875 /nfs/dbraw/zinc/83/68/75/1024836875.db2.gz INKSTJICSJGXIB-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CCCOc1ccc(CNC(C)(C)c2nccs2)c(O)c1 ZINC000116380118 1024860370 /nfs/dbraw/zinc/86/03/70/1024860370.db2.gz YNBLCMNDAWGZCN-UHFFFAOYSA-N 0 1 306.431 3.662 20 10 DHCDMN C[C@@H]1C[C@H](C)N1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000793229282 1024943247 /nfs/dbraw/zinc/94/32/47/1024943247.db2.gz VEPUFLOHUYEDKW-OKILXGFUSA-N 0 1 303.406 3.568 20 10 DHCDMN COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000793232527 1024947943 /nfs/dbraw/zinc/94/79/43/1024947943.db2.gz XBIPCXPGDHDARO-KWQFWETISA-N 0 1 323.742 3.827 20 10 DHCDMN CN(C)Cc1ccc(NCc2cc(F)ccc2O)cc1Cl ZINC000793337678 1024994556 /nfs/dbraw/zinc/99/45/56/1024994556.db2.gz IGEOJBPRBKDSLH-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN CC[C@H](C)[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804984907 1025519081 /nfs/dbraw/zinc/51/90/81/1025519081.db2.gz PPPDUIHJKIKIGA-DTWKUNHWSA-N 0 1 319.232 3.933 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H]2CCc3cccnc32)cc1F ZINC000886524579 1025676853 /nfs/dbraw/zinc/67/68/53/1025676853.db2.gz MXVOPOFEPVIXSU-QGZVFWFLSA-N 0 1 313.420 3.844 20 10 DHCDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1c(O)cccc1F ZINC000886585778 1025720476 /nfs/dbraw/zinc/72/04/76/1025720476.db2.gz FQNHQZWASRHEOO-LLVKDONJSA-N 0 1 306.356 3.905 20 10 DHCDMN CC1(C)CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806021188 1025738742 /nfs/dbraw/zinc/73/87/42/1025738742.db2.gz FMVNNWMTLJSIAX-LLVKDONJSA-N 0 1 317.216 3.687 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(Cl)c1[O-] ZINC000806149169 1025812130 /nfs/dbraw/zinc/81/21/30/1025812130.db2.gz PVVLTCFUNBNEQY-ZUZCIYMTSA-N 0 1 307.825 3.749 20 10 DHCDMN C/C(=C/C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807834532 1026129791 /nfs/dbraw/zinc/12/97/91/1026129791.db2.gz MYUIRZKCTQLHOL-YWEYNIOJSA-N 0 1 300.185 3.672 20 10 DHCDMN CC(C)[C@H]1C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836595 1026128665 /nfs/dbraw/zinc/12/86/65/1026128665.db2.gz GVBHPPXKUWDDEB-MNOVXSKESA-N 0 1 302.201 3.607 20 10 DHCDMN CC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808088313 1026202551 /nfs/dbraw/zinc/20/25/51/1026202551.db2.gz DOUYVOCARNAESQ-UHFFFAOYSA-N 0 1 311.168 3.909 20 10 DHCDMN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000809655355 1026583757 /nfs/dbraw/zinc/58/37/57/1026583757.db2.gz IPNJSONZWUEZPQ-KRWDZBQOSA-N 0 1 319.832 3.895 20 10 DHCDMN CC[C@@H](N[C@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233245 1026618090 /nfs/dbraw/zinc/61/80/90/1026618090.db2.gz VJKQBTDPXAJNEY-TZMCWYRMSA-N 0 1 302.422 3.744 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN(Cc1ccccn1)C1CC1 ZINC000809762916 1026621101 /nfs/dbraw/zinc/62/11/01/1026621101.db2.gz DONMAPBNCAKJLC-UHFFFAOYSA-N 0 1 306.768 3.744 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230882 1026714975 /nfs/dbraw/zinc/71/49/75/1026714975.db2.gz NEXZCRPQXOJOIJ-CABZTGNLSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234516 1026716575 /nfs/dbraw/zinc/71/65/75/1026716575.db2.gz FHGJQSLTNDPWBZ-BREBYQMCSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210799 1026717856 /nfs/dbraw/zinc/71/78/56/1026717856.db2.gz DVXQVJVXCTUTTJ-FZMZJTMJSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212124 1026718503 /nfs/dbraw/zinc/71/85/03/1026718503.db2.gz MFEJNFUSNVEXAJ-GXFFZTMASA-N 0 1 305.340 3.734 20 10 DHCDMN CCOCCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207217 1026718945 /nfs/dbraw/zinc/71/89/45/1026718945.db2.gz GADFKRDHFQRVTI-CYBMUJFWSA-N 0 1 305.340 3.878 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238587 1026725865 /nfs/dbraw/zinc/72/58/65/1026725865.db2.gz LAYAMDUJPKWYGI-CWSCBRNRSA-N 0 1 305.340 3.875 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)NCc2ncccc2N(C)C)c1O ZINC000810247014 1026729371 /nfs/dbraw/zinc/72/93/71/1026729371.db2.gz INSSSLBHZJIKAF-LBPRGKRZSA-N 0 1 319.836 3.666 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000271709473 1027125520 /nfs/dbraw/zinc/12/55/20/1027125520.db2.gz AJIZVFSIMDINNQ-MRXNPFEDSA-N 0 1 303.789 3.619 20 10 DHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H](C)OC ZINC000812302901 1027249374 /nfs/dbraw/zinc/24/93/74/1027249374.db2.gz HQLCTBBZBHGJAZ-CYBMUJFWSA-N 0 1 317.429 3.874 20 10 DHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H](C)OC ZINC000812302901 1027249388 /nfs/dbraw/zinc/24/93/88/1027249388.db2.gz HQLCTBBZBHGJAZ-CYBMUJFWSA-N 0 1 317.429 3.874 20 10 DHCDMN CC[C@@H]([NH2+]CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000157991479 1027408292 /nfs/dbraw/zinc/40/82/92/1027408292.db2.gz ZYJJUHAZYWSCQM-GFCCVEGCSA-N 0 1 316.239 3.620 20 10 DHCDMN COCC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000778120150 1027608370 /nfs/dbraw/zinc/60/83/70/1027608370.db2.gz CTNMJZJLSKDPFO-CQSZACIVSA-N 0 1 309.793 3.814 20 10 DHCDMN CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000813683069 1027695285 /nfs/dbraw/zinc/69/52/85/1027695285.db2.gz RWDRPNYZUFXVDR-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015109 1027817978 /nfs/dbraw/zinc/81/79/78/1027817978.db2.gz MYYBRUAYDAYNPL-CVEARBPZSA-N 0 1 303.446 3.952 20 10 DHCDMN C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015109 1027818000 /nfs/dbraw/zinc/81/80/00/1027818000.db2.gz MYYBRUAYDAYNPL-CVEARBPZSA-N 0 1 303.446 3.952 20 10 DHCDMN COc1cccc([C@H](C[NH2+]Cc2c([O-])cccc2Cl)OC)c1 ZINC000527732910 1027850778 /nfs/dbraw/zinc/85/07/78/1027850778.db2.gz BLYOWVCXXKCJJS-KRWDZBQOSA-N 0 1 321.804 3.532 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc2O1 ZINC000814177947 1027913311 /nfs/dbraw/zinc/91/33/11/1027913311.db2.gz WGBKHMKOUXLVSF-GFCCVEGCSA-N 0 1 303.789 3.829 20 10 DHCDMN Cc1ncccc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000527985746 1028041586 /nfs/dbraw/zinc/04/15/86/1028041586.db2.gz IMBHXBYEWNIVNM-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000370739452 1028645834 /nfs/dbraw/zinc/64/58/34/1028645834.db2.gz KZTTZDICPPXABA-UHFFFAOYSA-N 0 1 302.805 3.652 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372212243 1028825209 /nfs/dbraw/zinc/82/52/09/1028825209.db2.gz OUGADOAINIRSRB-QGZVFWFLSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372212243 1028825220 /nfs/dbraw/zinc/82/52/20/1028825220.db2.gz OUGADOAINIRSRB-QGZVFWFLSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+](CCO)Cc2ccccc2)ccc2ccccc12 ZINC000816480178 1028886804 /nfs/dbraw/zinc/88/68/04/1028886804.db2.gz FVOBYXBGMOSWBY-UHFFFAOYSA-N 0 1 307.393 3.540 20 10 DHCDMN [O-]c1c(C[N@@H+](CCO)Cc2ccccc2)ccc2ccccc12 ZINC000816480178 1028886819 /nfs/dbraw/zinc/88/68/19/1028886819.db2.gz FVOBYXBGMOSWBY-UHFFFAOYSA-N 0 1 307.393 3.540 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816519777 1028905967 /nfs/dbraw/zinc/90/59/67/1028905967.db2.gz UZOFQEYXQASFAV-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816528587 1028918104 /nfs/dbraw/zinc/91/81/04/1028918104.db2.gz JINGNHNQVTWCLC-UHFFFAOYSA-N 0 1 307.349 3.564 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548456 1028930306 /nfs/dbraw/zinc/93/03/06/1028930306.db2.gz IKDTZKVGEPYCTA-AWEZNQCLSA-N 0 1 307.393 3.972 20 10 DHCDMN COc1ccc(O)c(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816550595 1028931578 /nfs/dbraw/zinc/93/15/78/1028931578.db2.gz VXZXURCGRDUDRZ-UHFFFAOYSA-N 0 1 309.365 3.549 20 10 DHCDMN CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554033 1028940615 /nfs/dbraw/zinc/94/06/15/1028940615.db2.gz NGFQSXYQMFDNAF-OAHLLOKOSA-N 0 1 301.430 3.680 20 10 DHCDMN Cc1cccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816556271 1028942028 /nfs/dbraw/zinc/94/20/28/1028942028.db2.gz DXQWASYGJVHMEK-IBGZPJMESA-N 0 1 307.393 3.677 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599410 1028957675 /nfs/dbraw/zinc/95/76/75/1028957675.db2.gz LUZMWBZRPCFGJO-INIZCTEOSA-N 0 1 304.393 3.930 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599410 1028957683 /nfs/dbraw/zinc/95/76/83/1028957683.db2.gz LUZMWBZRPCFGJO-INIZCTEOSA-N 0 1 304.393 3.930 20 10 DHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609282 1028959305 /nfs/dbraw/zinc/95/93/05/1028959305.db2.gz WOYHXTDNBSGJMR-WCQYABFASA-N 0 1 315.816 3.700 20 10 DHCDMN COc1ccc(N2CCC(Nc3cc4c(cn3)CCC4)CC2)cc1 ZINC000816660660 1028981049 /nfs/dbraw/zinc/98/10/49/1028981049.db2.gz LRROPZDMTFJRHJ-UHFFFAOYSA-N 0 1 323.440 3.660 20 10 DHCDMN Oc1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666936 1028985610 /nfs/dbraw/zinc/98/56/10/1028985610.db2.gz YKYZDAGNNXTWQE-PMACEKPBSA-N 0 1 309.409 3.689 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000373370263 1029024382 /nfs/dbraw/zinc/02/43/82/1029024382.db2.gz POWKBAYIPGBFCF-DLBZAZTESA-N 0 1 309.837 3.649 20 10 DHCDMN C[C@@H]1CC[C@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859602 1029184898 /nfs/dbraw/zinc/18/48/98/1029184898.db2.gz LURLKFMQEXLPTQ-RHSMWYFYSA-N 0 1 301.386 3.555 20 10 DHCDMN CCOc1cccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231488 1029358200 /nfs/dbraw/zinc/35/82/00/1029358200.db2.gz XLBMUAQSVUWFOL-AEFFLSMTSA-N 0 1 301.361 3.518 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000290525445 1030088840 /nfs/dbraw/zinc/08/88/40/1030088840.db2.gz QGXWEKWKNKZCJM-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cn(C)cn1 ZINC000925011021 1030247641 /nfs/dbraw/zinc/24/76/41/1030247641.db2.gz JNIWJJCWQIJDFC-MRXNPFEDSA-N 0 1 312.461 3.507 20 10 DHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccncc1F ZINC000823404662 1030280413 /nfs/dbraw/zinc/28/04/13/1030280413.db2.gz UBQZKNVAZOXJHY-UHFFFAOYSA-N 0 1 301.409 3.697 20 10 DHCDMN C[C@H](NCC(C)(C)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866408160 1030284956 /nfs/dbraw/zinc/28/49/56/1030284956.db2.gz HMMBFIADCBSWMY-LBPRGKRZSA-N 0 1 314.832 3.575 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000866499015 1030327334 /nfs/dbraw/zinc/32/73/34/1030327334.db2.gz CRZAIEGATDFMRZ-BDODKLCJSA-N 0 1 324.140 3.756 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515046 1030569876 /nfs/dbraw/zinc/56/98/76/1030569876.db2.gz DDKDUALPRYUWFR-BXUZGUMPSA-N 0 1 319.367 3.860 20 10 DHCDMN CN(C)c1ccc(CN(Cc2c(C3CC3)cnn2C)C2CC2)cc1 ZINC000824556335 1030582332 /nfs/dbraw/zinc/58/23/32/1030582332.db2.gz PRSCRUSQZCCLLD-UHFFFAOYSA-N 0 1 324.472 3.528 20 10 DHCDMN CCCn1nccc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000824567730 1030582648 /nfs/dbraw/zinc/58/26/48/1030582648.db2.gz VDTNFIYRIODDHI-UHFFFAOYSA-N 0 1 314.477 3.770 20 10 DHCDMN CC[C@H]([NH2+]CC1=CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824597857 1030591999 /nfs/dbraw/zinc/59/19/99/1030591999.db2.gz YCDZVRDOJILYOH-AWEZNQCLSA-N 0 1 315.335 3.798 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1O ZINC000824942078 1030676940 /nfs/dbraw/zinc/67/69/40/1030676940.db2.gz VROLLFJJLLXLGW-ZBFHGGJFSA-N 0 1 307.821 3.675 20 10 DHCDMN CC[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825040380 1030707554 /nfs/dbraw/zinc/70/75/54/1030707554.db2.gz JSFIXQGHJCLSMC-CYBMUJFWSA-N 0 1 317.351 3.614 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000248689815 1030759680 /nfs/dbraw/zinc/75/96/80/1030759680.db2.gz ANEFTEXOMBKMCO-GDJRKYJOSA-N 0 1 307.821 3.654 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825245103 1030760000 /nfs/dbraw/zinc/76/00/00/1030760000.db2.gz FHLPCFYJLSHUAA-DZGCQCFKSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825327756 1030778644 /nfs/dbraw/zinc/77/86/44/1030778644.db2.gz ZZLSMGMHEULAIW-CYBMUJFWSA-N 0 1 311.834 3.547 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(Cl)nc2)cc1Cl ZINC000825337074 1030781516 /nfs/dbraw/zinc/78/15/16/1030781516.db2.gz HYFWSNVMPDHBDF-UHFFFAOYSA-N 0 1 311.212 3.735 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1Cl ZINC000825390128 1030786826 /nfs/dbraw/zinc/78/68/26/1030786826.db2.gz AFLHWPRZNNTCKZ-QGZVFWFLSA-N 0 1 302.805 3.990 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc2ccccc2c1[O-] ZINC000926937642 1031004906 /nfs/dbraw/zinc/00/49/06/1031004906.db2.gz QPFPOCATTQFBLP-XBVQOTNRSA-N 0 1 309.409 3.787 20 10 DHCDMN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000927067700 1031068051 /nfs/dbraw/zinc/06/80/51/1031068051.db2.gz CYJXPXBTEFCRLO-XTQGRXLLSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1[O-] ZINC000927107939 1031093915 /nfs/dbraw/zinc/09/39/15/1031093915.db2.gz NOECPRKOBGYDDV-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(Cl)cc1O ZINC000927107939 1031093928 /nfs/dbraw/zinc/09/39/28/1031093928.db2.gz NOECPRKOBGYDDV-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCCC1 ZINC001144299567 1031438607 /nfs/dbraw/zinc/43/86/07/1031438607.db2.gz ALKUUHGXKHOJKH-UHFFFAOYSA-N 0 1 302.187 3.668 20 10 DHCDMN CC[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306505 1031456711 /nfs/dbraw/zinc/45/67/11/1031456711.db2.gz DVWDAXPDJDRJMV-JTQLQIEISA-N 0 1 316.214 3.916 20 10 DHCDMN Cc1nc(C)c(CN(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000929185475 1031460081 /nfs/dbraw/zinc/46/00/81/1031460081.db2.gz SKHIYSKTBUMCKM-UHFFFAOYSA-N 0 1 312.461 3.649 20 10 DHCDMN Cc1ccc(C)c(NCc2cc(Br)ccc2O)n1 ZINC001171174221 1031529413 /nfs/dbraw/zinc/52/94/13/1031529413.db2.gz NMUVAOMWPOVIFQ-UHFFFAOYSA-N 0 1 307.191 3.779 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1cc(Cl)ccc1[O-] ZINC000872135514 1031531575 /nfs/dbraw/zinc/53/15/75/1031531575.db2.gz WWCDDLHACFUFDL-RISCZKNCSA-N 0 1 305.809 3.946 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cccnc2C(F)(F)F)cc1 ZINC001144538905 1031685744 /nfs/dbraw/zinc/68/57/44/1031685744.db2.gz VNECYZIRHXOBAG-UHFFFAOYSA-N 0 1 323.362 3.798 20 10 DHCDMN Cc1cc(Cl)cc(CN[C@@H](c2ccccc2F)[C@H](C)O)c1O ZINC000846019105 1031807703 /nfs/dbraw/zinc/80/77/03/1031807703.db2.gz XQDKQKPJZPORFS-MEDUHNTESA-N 0 1 323.795 3.705 20 10 DHCDMN CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001144679409 1031825504 /nfs/dbraw/zinc/82/55/04/1031825504.db2.gz BABVIONMWGBOIS-UHFFFAOYSA-N 0 1 318.442 3.534 20 10 DHCDMN [O-]c1cc(F)c(F)cc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001142520572 1031847370 /nfs/dbraw/zinc/84/73/70/1031847370.db2.gz LPIGXEOGFHOOAG-HNNXBMFYSA-N 0 1 324.415 3.511 20 10 DHCDMN Oc1ccccc1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117934 1031867155 /nfs/dbraw/zinc/86/71/55/1031867155.db2.gz RMLJBUKZFTXSOJ-IHPCNDPISA-N 0 1 309.409 3.887 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C2CC3(C2)COC(C)(C)C3)c(Cl)c1 ZINC000897970873 1031884061 /nfs/dbraw/zinc/88/40/61/1031884061.db2.gz QITXRPYTFCFKNY-UHFFFAOYSA-N 0 1 309.837 3.791 20 10 DHCDMN C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1F ZINC000846182411 1031916748 /nfs/dbraw/zinc/91/67/48/1031916748.db2.gz JPWHSYRWZFOIKG-DINDLPBHSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183962 1031917185 /nfs/dbraw/zinc/91/71/85/1031917185.db2.gz PRBNADHSFCIVGI-IQUTYRLHSA-N 0 1 316.420 3.664 20 10 DHCDMN Cc1nc(C(C)(C)NCc2ccc3c(c2)CCO3)sc1C ZINC000124719717 1031949377 /nfs/dbraw/zinc/94/93/77/1031949377.db2.gz CPKPSRDZJHXMNH-UHFFFAOYSA-N 0 1 302.443 3.720 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877709781 1033421303 /nfs/dbraw/zinc/42/13/03/1033421303.db2.gz IFDSPFXENAFICY-GUYCJALGSA-N 0 1 309.837 3.649 20 10 DHCDMN COc1cc(O)c(CNCc2ccc(C(C)(C)C)o2)cc1OC ZINC000877734860 1033426056 /nfs/dbraw/zinc/42/60/56/1033426056.db2.gz HZVRCSBTPRBCOY-UHFFFAOYSA-N 0 1 319.401 3.590 20 10 DHCDMN Cc1ccnc(CN[C@H](C)c2ccccc2O)c1Br ZINC000877757833 1033435089 /nfs/dbraw/zinc/43/50/89/1033435089.db2.gz WHLZLXKQEPFIAY-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877824113 1033472248 /nfs/dbraw/zinc/47/22/48/1033472248.db2.gz OVVLNYMMSORTJT-NOZJJQNGSA-N 0 1 323.742 3.587 20 10 DHCDMN CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877846865 1033484285 /nfs/dbraw/zinc/48/42/85/1033484285.db2.gz IZBDAGJRFVFTLT-AWEZNQCLSA-N 0 1 324.714 3.520 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473517 1033862117 /nfs/dbraw/zinc/86/21/17/1033862117.db2.gz TZVIHJAHRIXZBU-NEPJUHHUSA-N 0 1 301.814 3.655 20 10 DHCDMN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@H](CCF)C1 ZINC000862530493 1033876285 /nfs/dbraw/zinc/87/62/85/1033876285.db2.gz NPXSJGBZQZROMA-GOSISDBHSA-N 0 1 315.388 3.620 20 10 DHCDMN COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826140176 1034180896 /nfs/dbraw/zinc/18/08/96/1034180896.db2.gz ZXYQRFSFPGCAJM-LLVKDONJSA-N 0 1 313.825 3.503 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3cccs3)C1)CCC2 ZINC000128443961 1034343350 /nfs/dbraw/zinc/34/33/50/1034343350.db2.gz OFSWPVOAXVPUBI-KRWDZBQOSA-N 0 1 315.438 3.516 20 10 DHCDMN COCCCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185232705 1034535061 /nfs/dbraw/zinc/53/50/61/1034535061.db2.gz GNBQAEIVUJZJSU-NSHDSACASA-N 0 1 316.239 3.622 20 10 DHCDMN CCc1nc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426446 1034545234 /nfs/dbraw/zinc/54/52/34/1034545234.db2.gz UHCLZPDJJSXGJI-GHMZBOCLSA-N 0 1 306.431 3.832 20 10 DHCDMN C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185528713 1034553478 /nfs/dbraw/zinc/55/34/78/1034553478.db2.gz HFSOWCLSQDHZDN-BONVTDFDSA-N 0 1 311.834 3.665 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2cc(F)ccc2O)o1 ZINC000185548824 1034556811 /nfs/dbraw/zinc/55/68/11/1034556811.db2.gz WMCKMBWKRMROBE-NHYWBVRUSA-N 0 1 307.365 3.725 20 10 DHCDMN C[C@@H]([NH2+]C1CCSCC1)c1ccc(Br)cc1[O-] ZINC000185979254 1034590274 /nfs/dbraw/zinc/59/02/74/1034590274.db2.gz MDQSEBOZVQWAGZ-SECBINFHSA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@H]1C[C@H]1c1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000865296563 1034591902 /nfs/dbraw/zinc/59/19/02/1034591902.db2.gz ZXFAUNNMSUGVGD-IMTBSYHQSA-N 0 1 314.172 3.818 20 10 DHCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000186131094 1034602203 /nfs/dbraw/zinc/60/22/03/1034602203.db2.gz WNNJUJFPCCLOJP-TZMCWYRMSA-N 0 1 309.413 3.859 20 10 DHCDMN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nc1 ZINC001137166924 1034603395 /nfs/dbraw/zinc/60/33/95/1034603395.db2.gz MTWAYFICKOSWCL-UHFFFAOYSA-N 0 1 315.848 3.967 20 10 DHCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nc1 ZINC001137166924 1034603409 /nfs/dbraw/zinc/60/34/09/1034603409.db2.gz MTWAYFICKOSWCL-UHFFFAOYSA-N 0 1 315.848 3.967 20 10 DHCDMN CCCCn1cc(CNCc2ccc(OC)c(C)c2)c(C)n1 ZINC000773408419 1034635323 /nfs/dbraw/zinc/63/53/23/1034635323.db2.gz GVQAIAAGKLJVHB-UHFFFAOYSA-N 0 1 301.434 3.598 20 10 DHCDMN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000194755449 1035322483 /nfs/dbraw/zinc/32/24/83/1035322483.db2.gz IUXIGNDJPZFUIX-AWEZNQCLSA-N 0 1 309.413 3.860 20 10 DHCDMN CCN(C)c1ccc(CN(CCOC)Cc2ccc(C)o2)cc1 ZINC000773767118 1035443995 /nfs/dbraw/zinc/44/39/95/1035443995.db2.gz WXYMMWBGTQVFMJ-UHFFFAOYSA-N 0 1 316.445 3.693 20 10 DHCDMN CC[C@](C)(NCc1ccc(N(C)C)c(C)c1)c1nccs1 ZINC000815071375 1035505781 /nfs/dbraw/zinc/50/57/81/1035505781.db2.gz JICPYKGIPZVAKB-KRWDZBQOSA-N 0 1 303.475 3.933 20 10 DHCDMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001180142300 1035599049 /nfs/dbraw/zinc/59/90/49/1035599049.db2.gz MGMNRBPIPHVVJZ-STQMWFEESA-N 0 1 301.402 3.776 20 10 DHCDMN CC(C)c1cccc(NC(=O)c2cc(O)c(O)c(Cl)c2)n1 ZINC001193589401 1035671806 /nfs/dbraw/zinc/67/18/06/1035671806.db2.gz JYEVFDAUAOYVRI-UHFFFAOYSA-N 0 1 306.749 3.522 20 10 DHCDMN Cc1ccc2c(c1)N(Cc1ccc(F)c(F)c1O)C[C@@H](C)O2 ZINC001180646325 1035734831 /nfs/dbraw/zinc/73/48/31/1035734831.db2.gz JHJIXTGWDCCKSH-LLVKDONJSA-N 0 1 305.324 3.766 20 10 DHCDMN Cc1ccc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001180820877 1035765738 /nfs/dbraw/zinc/76/57/38/1035765738.db2.gz SVMKDGMCLRXUDM-AWEZNQCLSA-N 0 1 303.352 3.968 20 10 DHCDMN C[N@@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2C1 ZINC000816617991 1035825250 /nfs/dbraw/zinc/82/52/50/1035825250.db2.gz MZTWNHUVQRORAM-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN C[N@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2C1 ZINC000816617991 1035825269 /nfs/dbraw/zinc/82/52/69/1035825269.db2.gz MZTWNHUVQRORAM-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN COC(=O)Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001181656661 1035957057 /nfs/dbraw/zinc/95/70/57/1035957057.db2.gz TVRJVWGQQXGUHW-UHFFFAOYSA-N 0 1 320.776 3.514 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1Cl ZINC001204335062 1036217533 /nfs/dbraw/zinc/21/75/33/1036217533.db2.gz OLACSFNRJAWYOB-QGZVFWFLSA-N 0 1 319.832 3.910 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1Cl ZINC001204335062 1036217553 /nfs/dbraw/zinc/21/75/53/1036217553.db2.gz OLACSFNRJAWYOB-QGZVFWFLSA-N 0 1 319.832 3.910 20 10 DHCDMN COc1ccc(O)c(C[N@@H+](Cc2ccccc2F)C(C)C)c1 ZINC000775651656 1036244946 /nfs/dbraw/zinc/24/49/46/1036244946.db2.gz POUYQZCVFQXVPU-UHFFFAOYSA-N 0 1 303.377 3.951 20 10 DHCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](CC)O1 ZINC001182462366 1036337639 /nfs/dbraw/zinc/33/76/39/1036337639.db2.gz PUUTZAKCUOBLTQ-GHMZBOCLSA-N 0 1 301.789 3.574 20 10 DHCDMN CCOC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001182625269 1036403142 /nfs/dbraw/zinc/40/31/42/1036403142.db2.gz NJSPMRWKIASYIT-UHFFFAOYSA-N 0 1 313.825 3.518 20 10 DHCDMN CCOC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001182625269 1036403148 /nfs/dbraw/zinc/40/31/48/1036403148.db2.gz NJSPMRWKIASYIT-UHFFFAOYSA-N 0 1 313.825 3.518 20 10 DHCDMN COc1ccc(O)c(CN2CCc3c(Cl)cccc3C2)c1 ZINC000775690638 1036469818 /nfs/dbraw/zinc/46/98/18/1036469818.db2.gz WNFKHCVYLUPTHJ-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN COc1ccc(O)c(CN2CCc3cccc(F)c3[C@@H]2C)c1 ZINC000775701493 1036473941 /nfs/dbraw/zinc/47/39/41/1036473941.db2.gz YYMFRDFBHNZQQQ-LBPRGKRZSA-N 0 1 301.361 3.659 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1c1ccccc1 ZINC000775726790 1036576261 /nfs/dbraw/zinc/57/62/61/1036576261.db2.gz XJABQLGWXVAVBQ-MRXNPFEDSA-N 0 1 303.789 3.619 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000775741390 1036605430 /nfs/dbraw/zinc/60/54/30/1036605430.db2.gz OUIXBSAUZKEJEW-CABCVRRESA-N 0 1 309.837 3.825 20 10 DHCDMN COc1cccc(F)c1CNCc1cc(C(C)C)ccc1O ZINC001184045432 1036735831 /nfs/dbraw/zinc/73/58/31/1036735831.db2.gz NGFJCHHFQNXCJH-UHFFFAOYSA-N 0 1 303.377 3.953 20 10 DHCDMN O=C1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12 ZINC001203586468 1036825378 /nfs/dbraw/zinc/82/53/78/1036825378.db2.gz OHODLPHRDQWCGA-BXKDBHETSA-N 0 1 314.212 3.500 20 10 DHCDMN CCCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000774834581 1037035171 /nfs/dbraw/zinc/03/51/71/1037035171.db2.gz XDURVZRCHWKRNI-UHFFFAOYSA-N 0 1 310.394 3.710 20 10 DHCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1Cl)c1ccsc1 ZINC001185384273 1037120944 /nfs/dbraw/zinc/12/09/44/1037120944.db2.gz SSECUELMZDJGGI-UHFFFAOYSA-N 0 1 324.210 3.561 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2CCC(C)C)ccc1[N+](=O)[O-] ZINC000774910648 1037203242 /nfs/dbraw/zinc/20/32/42/1037203242.db2.gz UCVAREZRPUXDCX-AWEZNQCLSA-N 0 1 322.405 3.710 20 10 DHCDMN CCN(C)c1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000776174596 1037678181 /nfs/dbraw/zinc/67/81/81/1037678181.db2.gz PFLIIIJUQQHGPT-UHFFFAOYSA-N 0 1 304.821 3.792 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000164275059 1038111719 /nfs/dbraw/zinc/11/17/19/1038111719.db2.gz OEQPGXFIFHVNNF-GOSISDBHSA-N 0 1 315.388 3.722 20 10 DHCDMN C[C@H](NCc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775362574 1038275869 /nfs/dbraw/zinc/27/58/69/1038275869.db2.gz IFHREZQHNJRUHS-ZDUSSCGKSA-N 0 1 315.486 3.939 20 10 DHCDMN CN(C)c1ccc(CN2CCc3c(Cl)cccc3C2)cc1 ZINC001191130956 1038454630 /nfs/dbraw/zinc/45/46/30/1038454630.db2.gz BOZKINGHBXQQAI-UHFFFAOYSA-N 0 1 300.833 3.964 20 10 DHCDMN CC[N@H+](Cc1cc(Br)ccc1O)CC1CC=CC1 ZINC001191269380 1038476618 /nfs/dbraw/zinc/47/66/18/1038476618.db2.gz ROBCRIAJJLCFCK-UHFFFAOYSA-N 0 1 310.235 3.943 20 10 DHCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC=CC1 ZINC001191269380 1038476619 /nfs/dbraw/zinc/47/66/19/1038476619.db2.gz ROBCRIAJJLCFCK-UHFFFAOYSA-N 0 1 310.235 3.943 20 10 DHCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CC=CC1 ZINC001191269380 1038476622 /nfs/dbraw/zinc/47/66/22/1038476622.db2.gz ROBCRIAJJLCFCK-UHFFFAOYSA-N 0 1 310.235 3.943 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)c1ccc(F)cc1 ZINC001191289471 1038481407 /nfs/dbraw/zinc/48/14/07/1038481407.db2.gz NAAWDKFIKUAGIH-LJQANCHMSA-N 0 1 317.404 3.651 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483458 1038551271 /nfs/dbraw/zinc/55/12/71/1038551271.db2.gz WBRCMYXJWAYTPF-CABCVRRESA-N 0 1 322.836 3.982 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc(Cl)ccc1[O-] ZINC000775489899 1038564166 /nfs/dbraw/zinc/56/41/66/1038564166.db2.gz TXWQFUBIFZMQDZ-CYBMUJFWSA-N 0 1 321.833 3.996 20 10 DHCDMN CC[C@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775501274 1038585325 /nfs/dbraw/zinc/58/53/25/1038585325.db2.gz FJSJALDYBXUONB-INIZCTEOSA-N 0 1 310.869 3.961 20 10 DHCDMN CC[C@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775508405 1038593235 /nfs/dbraw/zinc/59/32/35/1038593235.db2.gz BPVQBLDNLZNBPN-AWEZNQCLSA-N 0 1 305.809 3.593 20 10 DHCDMN CC[C@@H]([NH2+]CCc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775502135 1038593649 /nfs/dbraw/zinc/59/36/49/1038593649.db2.gz OGGVXZDWLVTTPC-OAHLLOKOSA-N 0 1 308.809 3.934 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512301 1038606446 /nfs/dbraw/zinc/60/64/46/1038606446.db2.gz IXUPVSHEZIDLJC-CGTJXYLNSA-N 0 1 317.816 3.745 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775513917 1038608545 /nfs/dbraw/zinc/60/85/45/1038608545.db2.gz WMOCDTNYDOEOIZ-FFSVYQOJSA-N 0 1 308.853 3.712 20 10 DHCDMN CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1[O-] ZINC000775531455 1038669607 /nfs/dbraw/zinc/66/96/07/1038669607.db2.gz DGYXJTBLDXYTER-QGZVFWFLSA-N 0 1 319.832 3.821 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2c(Cl)cccc2OC)c1 ZINC000188281970 200221084 /nfs/dbraw/zinc/22/10/84/200221084.db2.gz SEUYXRGQVZIRIV-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN CC(C)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000021818373 182293565 /nfs/dbraw/zinc/29/35/65/182293565.db2.gz KNXBYCSZYGKBHK-UHFFFAOYSA-N 0 1 317.260 3.661 20 10 DHCDMN COCC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272323319 130021005 /nfs/dbraw/zinc/02/10/05/130021005.db2.gz QPAMFHFYHOGBTO-KRWDZBQOSA-N 0 1 302.418 3.521 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NC2(c3nc(C)cs3)CCC2)c1 ZINC000273356865 130111214 /nfs/dbraw/zinc/11/12/14/130111214.db2.gz CUZMCVXZAFNYTN-GFCCVEGCSA-N 0 1 318.442 3.896 20 10 DHCDMN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000273482567 130126116 /nfs/dbraw/zinc/12/61/16/130126116.db2.gz MKPIVZTVKJCDOJ-BONVTDFDSA-N 0 1 313.319 3.509 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000273723060 130159374 /nfs/dbraw/zinc/15/93/74/130159374.db2.gz ITCNHYNUPADBFP-CQSZACIVSA-N 0 1 306.793 3.719 20 10 DHCDMN CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]c(C)nc21 ZINC000284410639 131078457 /nfs/dbraw/zinc/07/84/57/131078457.db2.gz NXEVFHBCQXKXMY-UHFFFAOYSA-N 0 1 323.396 3.629 20 10 DHCDMN CSc1cccc(F)c1CNCc1ccc2c(c1)CCO2 ZINC000285628525 131188127 /nfs/dbraw/zinc/18/81/27/131188127.db2.gz RAVQZHYGKCZAOC-UHFFFAOYSA-N 0 1 303.402 3.772 20 10 DHCDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000271651996 334024994 /nfs/dbraw/zinc/02/49/94/334024994.db2.gz JDHBYXMRXMLZJV-LLVKDONJSA-N 0 1 317.360 3.593 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000367598992 336826162 /nfs/dbraw/zinc/82/61/62/336826162.db2.gz SVVBPSRXFQYKIO-UHFFFAOYSA-N 0 1 302.805 3.652 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235396 336840915 /nfs/dbraw/zinc/84/09/15/336840915.db2.gz OSXKGUOMJPTOMD-IUODEOHRSA-N 0 1 301.361 3.932 20 10 DHCDMN Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000368315896 336842294 /nfs/dbraw/zinc/84/22/94/336842294.db2.gz MXSIQPMSCJDKMM-HOCLYGCPSA-N 0 1 321.424 3.716 20 10 DHCDMN CC(C)[C@H](NCc1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000368851108 336854031 /nfs/dbraw/zinc/85/40/31/336854031.db2.gz OLXAOLWNIDWSIE-KRWDZBQOSA-N 0 1 323.396 3.929 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN[C@H]1COc2cccc(F)c21 ZINC000373620995 336966954 /nfs/dbraw/zinc/96/69/54/336966954.db2.gz ARMBDJAVMDXGPE-NSHDSACASA-N 0 1 311.715 3.547 20 10 DHCDMN COc1cccc([C@H](NCc2ccccc2O)c2ccccn2)c1 ZINC000375073277 337002540 /nfs/dbraw/zinc/00/25/40/337002540.db2.gz DUSLQVJDLXEFBM-FQEVSTJZSA-N 0 1 320.392 3.675 20 10 DHCDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563429 337036873 /nfs/dbraw/zinc/03/68/73/337036873.db2.gz TXIHYYSBJCCKDL-LSDHHAIUSA-N 0 1 307.397 3.990 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377836050 337062134 /nfs/dbraw/zinc/06/21/34/337062134.db2.gz YMHQJHJISJEGDS-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN CCOc1cccc(CN[C@@H]2COc3c2cccc3Cl)c1O ZINC000378094893 337066362 /nfs/dbraw/zinc/06/63/62/337066362.db2.gz PDZHAUBPPUGWJL-CQSZACIVSA-N 0 1 319.788 3.668 20 10 DHCDMN Cc1cc(O)c(CN[C@H](c2cnn(C)c2)c2ccccc2)cc1C ZINC000378650565 337077687 /nfs/dbraw/zinc/07/76/87/337077687.db2.gz PRAJBEZLGOLSSG-FQEVSTJZSA-N 0 1 321.424 3.622 20 10 DHCDMN COc1cc(Cl)cc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000228675955 337078117 /nfs/dbraw/zinc/07/81/17/337078117.db2.gz YOFNFCDZCNIJKD-VIFPVBQESA-N 0 1 312.822 3.670 20 10 DHCDMN C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000183617591 337193803 /nfs/dbraw/zinc/19/38/03/337193803.db2.gz PWDXTNDOSJMQQF-LBPRGKRZSA-N 0 1 311.410 3.762 20 10 DHCDMN Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000188950587 337276927 /nfs/dbraw/zinc/27/69/27/337276927.db2.gz QLYJMFXCVLFUQM-HNNXBMFYSA-N 0 1 303.789 3.967 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Br)ccc1[O-] ZINC000156207134 522661049 /nfs/dbraw/zinc/66/10/49/522661049.db2.gz KVOGKTFGCHKNBJ-AWEZNQCLSA-N 0 1 323.234 3.734 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnccn1 ZINC000157503113 525525541 /nfs/dbraw/zinc/52/55/41/525525541.db2.gz VAUJODBMXROZMM-MRXNPFEDSA-N 0 1 310.445 3.564 20 10 DHCDMN COc1cccc(CN2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189919127 525939213 /nfs/dbraw/zinc/93/92/13/525939213.db2.gz JNXSQALZPNZRJK-CQSZACIVSA-N 0 1 304.415 3.503 20 10 DHCDMN CO[C@H](C)c1nc(CN[C@H](C)c2ccc(C)cc2O)cs1 ZINC000273367557 536514024 /nfs/dbraw/zinc/51/40/24/536514024.db2.gz BSSXCFKFAYEWMY-VXGBXAGGSA-N 0 1 306.431 3.715 20 10 DHCDMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275375 536027025 /nfs/dbraw/zinc/02/70/25/536027025.db2.gz QBVIAPOFFLNMGM-XQQFMLRXSA-N 0 1 302.422 3.744 20 10 DHCDMN O=C([O-])c1occc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000740282077 600318497 /nfs/dbraw/zinc/31/84/97/600318497.db2.gz RIKUAQLHOHMFFX-UHFFFAOYSA-N 0 1 315.369 3.628 20 10 DHCDMN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000829719007 601546112 /nfs/dbraw/zinc/54/61/12/601546112.db2.gz VPGSGCJTCJKWNP-UHFFFAOYSA-N 0 1 318.442 3.534 20 10 DHCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001589606613 949294882 /nfs/dbraw/zinc/29/48/82/949294882.db2.gz YLHNILWSCPFTKN-SFHVURJKSA-N 0 1 305.418 3.592 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715702575 1024038169 /nfs/dbraw/zinc/03/81/69/1024038169.db2.gz LXEUWVSKSPYVEI-VIFPVBQESA-N 0 1 302.187 3.526 20 10 DHCDMN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccs2)c1O ZINC000050143599 1014088713 /nfs/dbraw/zinc/08/87/13/1014088713.db2.gz MLRHAYSFJKVDDK-SNVBAGLBSA-N 0 1 307.390 3.988 20 10 DHCDMN Cc1cc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC001167431170 1014295799 /nfs/dbraw/zinc/29/57/99/1014295799.db2.gz KPKPECITUVOZOS-UHFFFAOYSA-N 0 1 323.484 3.976 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000707129730 1015086058 /nfs/dbraw/zinc/08/60/58/1015086058.db2.gz RIYPILTVMMDWQI-RISCZKNCSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000707129730 1015086067 /nfs/dbraw/zinc/08/60/67/1015086067.db2.gz RIYPILTVMMDWQI-RISCZKNCSA-N 0 1 310.235 3.919 20 10 DHCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000895658761 1015245988 /nfs/dbraw/zinc/24/59/88/1015245988.db2.gz OCCMAEFWYFFZPK-INIZCTEOSA-N 0 1 305.805 3.647 20 10 DHCDMN CCC[N@H+](CC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727820603 1015482680 /nfs/dbraw/zinc/48/26/80/1015482680.db2.gz LBHLNGQDZJPWEQ-UHFFFAOYSA-N 0 1 301.386 3.564 20 10 DHCDMN CCC[N@@H+](CC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000727820603 1015482683 /nfs/dbraw/zinc/48/26/83/1015482683.db2.gz LBHLNGQDZJPWEQ-UHFFFAOYSA-N 0 1 301.386 3.564 20 10 DHCDMN CC(C)C[C@@H](C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001591134241 991838697 /nfs/dbraw/zinc/83/86/97/991838697.db2.gz QTMCXJFLYKVRCB-GFCCVEGCSA-N 0 1 313.825 3.614 20 10 DHCDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000276847999 1015710327 /nfs/dbraw/zinc/71/03/27/1015710327.db2.gz CUVUMDKSJRKLQV-MELADBBJSA-N 0 1 315.465 3.796 20 10 DHCDMN C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)c(F)c1O ZINC000276956011 1015772679 /nfs/dbraw/zinc/77/26/79/1015772679.db2.gz RHVVGELLDZTQBT-SNVBAGLBSA-N 0 1 321.323 3.621 20 10 DHCDMN Oc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277128576 1015900467 /nfs/dbraw/zinc/90/04/67/1015900467.db2.gz YQCOHIZCOUXWIT-UHFFFAOYSA-N 0 1 315.388 3.713 20 10 DHCDMN COCc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccc1F ZINC000113339715 1016907714 /nfs/dbraw/zinc/90/77/14/1016907714.db2.gz JYELCYNMNFFLSU-UHFFFAOYSA-N 0 1 309.768 3.621 20 10 DHCDMN COc1ccc(OC)c(CNCc2c(C)c3ccccc3n2C)c1 ZINC000475195537 1017064160 /nfs/dbraw/zinc/06/41/60/1017064160.db2.gz OAVYXQGHEAICKO-UHFFFAOYSA-N 0 1 324.424 3.794 20 10 DHCDMN CC(C)c1nnc(CNCc2cc(-c3ccccc3)ccc2O)[nH]1 ZINC000294898858 1032199980 /nfs/dbraw/zinc/19/99/80/1032199980.db2.gz XBCLOEQWPDLUAF-UHFFFAOYSA-N 0 1 322.412 3.591 20 10 DHCDMN C[N@@H+](CCCF)Cc1cc(Cl)cc(Br)c1[O-] ZINC000716639022 1032699662 /nfs/dbraw/zinc/69/96/62/1032699662.db2.gz DCAFJBQBRMMUSE-UHFFFAOYSA-N 0 1 310.594 3.600 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@@H]2CCc3ccccc32)cc1F ZINC000858090330 1032764755 /nfs/dbraw/zinc/76/47/55/1032764755.db2.gz MNZQXFDUCPPFEO-QGZVFWFLSA-N 0 1 302.368 3.808 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715718471 1018949632 /nfs/dbraw/zinc/94/96/32/1018949632.db2.gz NSUQYEANYDVUJZ-ZJUUUORDSA-N 0 1 316.214 3.914 20 10 DHCDMN CCc1onc(C)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000922988714 1018971128 /nfs/dbraw/zinc/97/11/28/1018971128.db2.gz ULBLELPOQOYWLD-UHFFFAOYSA-N 0 1 313.445 3.826 20 10 DHCDMN CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134937581 1019051291 /nfs/dbraw/zinc/05/12/91/1019051291.db2.gz RMUCXVHSBKEZAA-DTWKUNHWSA-N 0 1 304.253 3.557 20 10 DHCDMN CSC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134922487 1019052608 /nfs/dbraw/zinc/05/26/08/1019052608.db2.gz YFTMHUYYQVAVSX-RKDXNWHRSA-N 0 1 304.253 3.557 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000732049480 1020197382 /nfs/dbraw/zinc/19/73/82/1020197382.db2.gz ZDFOJHXZCUJFAN-ZDUSSCGKSA-N 0 1 323.849 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000732049480 1020197387 /nfs/dbraw/zinc/19/73/87/1020197387.db2.gz ZDFOJHXZCUJFAN-ZDUSSCGKSA-N 0 1 323.849 3.579 20 10 DHCDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1=CC(=O)CS1 ZINC000732281529 1020222499 /nfs/dbraw/zinc/22/24/99/1020222499.db2.gz NPDZDAORJZINLU-UHFFFAOYSA-N 0 1 313.382 3.850 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCS1 ZINC000922839495 1020303400 /nfs/dbraw/zinc/30/34/00/1020303400.db2.gz UCMKAIOQKVIMKL-ZJUUUORDSA-N 0 1 316.264 3.528 20 10 DHCDMN CCN(CC)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000733326069 1020371647 /nfs/dbraw/zinc/37/16/47/1020371647.db2.gz HDFVIDHUUBIFKX-OAHLLOKOSA-N 0 1 322.836 3.811 20 10 DHCDMN COc1cccc2c1OCC[C@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000733331843 1020376164 /nfs/dbraw/zinc/37/61/64/1020376164.db2.gz JNNYJROKVDQBDF-CQSZACIVSA-N 0 1 319.788 3.668 20 10 DHCDMN c1coc(-c2ncc(CNCc3ccc4c(c3)CCO4)s2)c1 ZINC000785447453 1020443078 /nfs/dbraw/zinc/44/30/78/1020443078.db2.gz HYMLDIHLBLWFBU-UHFFFAOYSA-N 0 1 312.394 3.628 20 10 DHCDMN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000858485434 1032914573 /nfs/dbraw/zinc/91/45/73/1032914573.db2.gz MXVVMZSLARJNFS-GOEBONIOSA-N 0 1 301.430 3.993 20 10 DHCDMN CCOC(=O)C1(C)CCC([N@@H+](CC)Cc2ccccc2O)CC1 ZINC001171956777 1032923114 /nfs/dbraw/zinc/92/31/14/1032923114.db2.gz OOUCKOVMQXUDBF-UHFFFAOYSA-N 0 1 319.445 3.726 20 10 DHCDMN CCOC(=O)C1(C)CCC([N@H+](CC)Cc2ccccc2[O-])CC1 ZINC001171956777 1032923121 /nfs/dbraw/zinc/92/31/21/1032923121.db2.gz OOUCKOVMQXUDBF-UHFFFAOYSA-N 0 1 319.445 3.726 20 10 DHCDMN CCOC(=O)C1(C)CCC([N@@H+](CC)Cc2ccccc2[O-])CC1 ZINC001171956777 1032923134 /nfs/dbraw/zinc/92/31/34/1032923134.db2.gz OOUCKOVMQXUDBF-UHFFFAOYSA-N 0 1 319.445 3.726 20 10 DHCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000742390657 1021110552 /nfs/dbraw/zinc/11/05/52/1021110552.db2.gz KZKZCCZEOHHSDT-HZPDHXFCSA-N 0 1 309.837 3.873 20 10 DHCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000742390654 1021110838 /nfs/dbraw/zinc/11/08/38/1021110838.db2.gz KZKZCCZEOHHSDT-CVEARBPZSA-N 0 1 309.837 3.873 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858592814 1032958078 /nfs/dbraw/zinc/95/80/78/1032958078.db2.gz LUFGQKUDAQQEMT-SCDSUCTJSA-N 0 1 317.351 3.877 20 10 DHCDMN Cc1ccc(O)c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000154317801 1021211763 /nfs/dbraw/zinc/21/17/63/1021211763.db2.gz RHENNDJCOLBJMO-UHFFFAOYSA-N 0 1 312.369 3.773 20 10 DHCDMN COc1cc(CN(C)Cc2cccn2C)c(O)c(C(C)(C)C)c1 ZINC000164503933 1021263657 /nfs/dbraw/zinc/26/36/57/1021263657.db2.gz HUEQFGTVRNILKZ-UHFFFAOYSA-N 0 1 316.445 3.669 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1[O-] ZINC000181596041 1021269354 /nfs/dbraw/zinc/26/93/54/1021269354.db2.gz OXWJJSYWLSRLRZ-VIFPVBQESA-N 0 1 323.314 3.863 20 10 DHCDMN CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000181596041 1021269369 /nfs/dbraw/zinc/26/93/69/1021269369.db2.gz OXWJJSYWLSRLRZ-VIFPVBQESA-N 0 1 323.314 3.863 20 10 DHCDMN COc1ccc(N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000918021585 1021421806 /nfs/dbraw/zinc/42/18/06/1021421806.db2.gz BGRMMPPWJMOPTG-OAHLLOKOSA-N 0 1 314.404 3.718 20 10 DHCDMN CCc1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)on1 ZINC000850157850 1021430666 /nfs/dbraw/zinc/43/06/66/1021430666.db2.gz MNAKMNQIWGTPGO-UHFFFAOYSA-N 0 1 318.417 3.539 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695121198 1021525186 /nfs/dbraw/zinc/52/51/86/1021525186.db2.gz XLGVVVGSVARKNM-LLVKDONJSA-N 0 1 320.177 3.822 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000850572501 1021614911 /nfs/dbraw/zinc/61/49/11/1021614911.db2.gz KUGMCZUMHSPECB-ZJNRKIDTSA-N 0 1 319.832 3.861 20 10 DHCDMN O=[N+]([O-])c1cccc(CN(Cc2cc(F)ccc2O)C2CC2)c1 ZINC000179933533 1022093851 /nfs/dbraw/zinc/09/38/51/1022093851.db2.gz RTMSRJZNNBHOFF-UHFFFAOYSA-N 0 1 316.332 3.604 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2c[nH]nc2C)cc1F ZINC000180508625 1022146308 /nfs/dbraw/zinc/14/63/08/1022146308.db2.gz PVKMIHXDRGQZIV-GFCCVEGCSA-N 0 1 304.413 3.554 20 10 DHCDMN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565734 1022293352 /nfs/dbraw/zinc/29/33/52/1022293352.db2.gz JKCUOXVKCTUULR-VBKZILBWSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565734 1022293359 /nfs/dbraw/zinc/29/33/59/1022293359.db2.gz JKCUOXVKCTUULR-VBKZILBWSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@]12COC[C@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565735 1022294470 /nfs/dbraw/zinc/29/44/70/1022294470.db2.gz JKCUOXVKCTUULR-VLIAUNLRSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565735 1022294477 /nfs/dbraw/zinc/29/44/77/1022294477.db2.gz JKCUOXVKCTUULR-VLIAUNLRSA-N 0 1 323.392 3.760 20 10 DHCDMN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1F ZINC000854243798 1022437777 /nfs/dbraw/zinc/43/77/77/1022437777.db2.gz BUVQJDMXRJVSDY-UHFFFAOYSA-N 0 1 324.440 3.605 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2scnc2C)cc1 ZINC000179766488 1022533012 /nfs/dbraw/zinc/53/30/12/1022533012.db2.gz VNXWTQUVOBWTGM-UHFFFAOYSA-N 0 1 303.475 3.930 20 10 DHCDMN C[C@H](NCc1csc(-c2ccco2)n1)c1ccccc1O ZINC000179902482 1022571915 /nfs/dbraw/zinc/57/19/15/1022571915.db2.gz GTZPQKPPWKOAPR-NSHDSACASA-N 0 1 300.383 3.960 20 10 DHCDMN Oc1ccccc1C[N@@H+](Cc1cccc2nccn21)C1CCCC1 ZINC000180183012 1022652656 /nfs/dbraw/zinc/65/26/56/1022652656.db2.gz WNFURDLZJMDRTF-UHFFFAOYSA-N 0 1 321.424 3.985 20 10 DHCDMN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000763645457 1022655580 /nfs/dbraw/zinc/65/55/80/1022655580.db2.gz GQFIDQSCGQVUSQ-NSHDSACASA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000763645457 1022655585 /nfs/dbraw/zinc/65/55/85/1022655585.db2.gz GQFIDQSCGQVUSQ-NSHDSACASA-N 0 1 310.235 3.919 20 10 DHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(F)nc1 ZINC000189277828 1022844543 /nfs/dbraw/zinc/84/45/43/1022844543.db2.gz PGFQVFAXPKJRQX-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000768169805 1022910360 /nfs/dbraw/zinc/91/03/60/1022910360.db2.gz XDXUGOWHDGLXOB-LBPRGKRZSA-N 0 1 303.324 3.565 20 10 DHCDMN CCOc1cccc(CN(C)Cc2ccc(F)cc2F)c1O ZINC000768233746 1022929790 /nfs/dbraw/zinc/92/97/90/1022929790.db2.gz RAIHSQXUGQFKPI-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN Cc1cccc(CCC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825883208 1033089069 /nfs/dbraw/zinc/08/90/69/1033089069.db2.gz UEHIGKNCWDCOJU-UHFFFAOYSA-N 0 1 304.821 3.780 20 10 DHCDMN CC[C@@H]([NH2+]CCCSC)c1cc(Br)ccc1[O-] ZINC000069432709 1023058606 /nfs/dbraw/zinc/05/86/06/1023058606.db2.gz PALHIEGDDALIRB-GFCCVEGCSA-N 0 1 318.280 3.949 20 10 DHCDMN C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1O ZINC000192874034 1023062399 /nfs/dbraw/zinc/06/23/99/1023062399.db2.gz XGFYTGYXILHWNZ-MRXNPFEDSA-N 0 1 310.441 3.707 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000768999849 1023075587 /nfs/dbraw/zinc/07/55/87/1023075587.db2.gz QBMVBTWGNAMQST-UHFFFAOYSA-N 0 1 316.832 3.758 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000768999849 1023075595 /nfs/dbraw/zinc/07/55/95/1023075595.db2.gz QBMVBTWGNAMQST-UHFFFAOYSA-N 0 1 316.832 3.758 20 10 DHCDMN CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769342360 1023128141 /nfs/dbraw/zinc/12/81/41/1023128141.db2.gz LIDDVBDCRYGSKG-UHFFFAOYSA-N 0 1 320.260 3.930 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCc3ccsc3C2)c1[O-] ZINC000769431516 1023148345 /nfs/dbraw/zinc/14/83/45/1023148345.db2.gz AQHSKFIGWDYXCB-UHFFFAOYSA-N 0 1 324.789 3.574 20 10 DHCDMN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000769497391 1023166319 /nfs/dbraw/zinc/16/63/19/1023166319.db2.gz CRYFZDVAPLKEIU-KRWDZBQOSA-N 0 1 319.832 3.819 20 10 DHCDMN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000769497391 1023166324 /nfs/dbraw/zinc/16/63/24/1023166324.db2.gz CRYFZDVAPLKEIU-KRWDZBQOSA-N 0 1 319.832 3.819 20 10 DHCDMN CN(C)c1cccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000769854811 1023218685 /nfs/dbraw/zinc/21/86/85/1023218685.db2.gz XUHPRNQBCFXKQO-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000769854811 1023218689 /nfs/dbraw/zinc/21/86/89/1023218689.db2.gz XUHPRNQBCFXKQO-UHFFFAOYSA-N 0 1 321.424 3.638 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](CO)c2ccsc2)cc1F ZINC000769934776 1023251126 /nfs/dbraw/zinc/25/11/26/1023251126.db2.gz PAYRSTKCHAGGNA-INIZCTEOSA-N 0 1 322.449 3.557 20 10 DHCDMN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000769988122 1023257519 /nfs/dbraw/zinc/25/75/19/1023257519.db2.gz NCWIIGSQTVFESL-SJCJKPOMSA-N 0 1 313.422 3.991 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCSc1nccs1 ZINC000124246276 1023316782 /nfs/dbraw/zinc/31/67/82/1023316782.db2.gz XVZMGZPLVIJDDV-UHFFFAOYSA-N 0 1 314.863 3.774 20 10 DHCDMN [O-]c1c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)ccc(F)c1F ZINC000876684981 1033122310 /nfs/dbraw/zinc/12/23/10/1033122310.db2.gz VTIAKJABRARWKT-INIZCTEOSA-N 0 1 319.351 3.634 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000825892203 1033125655 /nfs/dbraw/zinc/12/56/55/1033125655.db2.gz AWOKLNDKKQNQTJ-UHFFFAOYSA-N 0 1 324.140 3.587 20 10 DHCDMN C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000129660104 1024038849 /nfs/dbraw/zinc/03/88/49/1024038849.db2.gz DGPDJLHHFJQGOW-UHFFFAOYSA-N 0 1 318.244 3.948 20 10 DHCDMN CC1(C)CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715719069 1024040189 /nfs/dbraw/zinc/04/01/89/1024040189.db2.gz POIFMXYQOPHXPQ-UHFFFAOYSA-N 0 1 316.214 3.916 20 10 DHCDMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000789927037 1024184386 /nfs/dbraw/zinc/18/43/86/1024184386.db2.gz NTUONDMXLDSLJK-UHFFFAOYSA-N 0 1 323.400 3.588 20 10 DHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000131062053 1024254421 /nfs/dbraw/zinc/25/44/21/1024254421.db2.gz DQUZONUMJHSDMZ-VIFPVBQESA-N 0 1 310.737 3.740 20 10 DHCDMN COc1ccc(N2CCC(Nc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000883233031 1024307705 /nfs/dbraw/zinc/30/77/05/1024307705.db2.gz YLQZZSFRMBDMEY-UHFFFAOYSA-N 0 1 322.412 3.652 20 10 DHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000270113835 1024353565 /nfs/dbraw/zinc/35/35/65/1024353565.db2.gz NKLSYNADNVLEJK-WIUDPPPLSA-N 0 1 323.845 3.634 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000883319875 1024373875 /nfs/dbraw/zinc/37/38/75/1024373875.db2.gz SZLTVMQHAXXTCO-SUHUHFCYSA-N 0 1 317.351 3.877 20 10 DHCDMN C[C@@H](N[C@@H](C)C(F)F)c1cc(Br)c(F)cc1O ZINC000883399509 1024428297 /nfs/dbraw/zinc/42/82/97/1024428297.db2.gz OYHGWWGQZNAZAW-RITPCOANSA-N 0 1 312.129 3.598 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883383035 1024416249 /nfs/dbraw/zinc/41/62/49/1024416249.db2.gz RSHUWMYFPQDVIF-MJGOQNOKSA-N 0 1 315.388 3.906 20 10 DHCDMN C[C@H](N[C@@H](C)C(F)F)c1cc(Br)c(F)cc1O ZINC000883399510 1024430098 /nfs/dbraw/zinc/43/00/98/1024430098.db2.gz OYHGWWGQZNAZAW-WDSKDSINSA-N 0 1 312.129 3.598 20 10 DHCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792181267 1024644481 /nfs/dbraw/zinc/64/44/81/1024644481.db2.gz ZOLSUMXHJLAZRN-INIZCTEOSA-N 0 1 315.816 3.558 20 10 DHCDMN CC[C@H]([NH2+]CCCCF)c1cc(Br)ccc1[O-] ZINC000310213141 1024785959 /nfs/dbraw/zinc/78/59/59/1024785959.db2.gz DPTMZVQJBVYDPS-LBPRGKRZSA-N 0 1 304.203 3.945 20 10 DHCDMN CCOCc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113320535 1024796826 /nfs/dbraw/zinc/79/68/26/1024796826.db2.gz LBNQPLWWMIWNTJ-UHFFFAOYSA-N 0 1 305.805 3.872 20 10 DHCDMN Cc1ccc(O)c(CN[C@H](COCC(C)C)c2ccco2)c1 ZINC000113332114 1024797984 /nfs/dbraw/zinc/79/79/84/1024797984.db2.gz LWGUUDNPEDBREV-MRXNPFEDSA-N 0 1 303.402 3.797 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000793221220 1024936270 /nfs/dbraw/zinc/93/62/70/1024936270.db2.gz YAPNJOBTGWILSE-UZLBHIALSA-N 0 1 314.473 3.676 20 10 DHCDMN CCCN(CC)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000318961956 1025124664 /nfs/dbraw/zinc/12/46/64/1025124664.db2.gz FMRQBCPMXCTDTB-HNNXBMFYSA-N 0 1 300.446 3.928 20 10 DHCDMN Oc1ccccc1CN1CCc2ccc(Br)cc2C1 ZINC000793609311 1025129647 /nfs/dbraw/zinc/12/96/47/1025129647.db2.gz AGYBVRAFIMORTR-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN CCN(C#N)CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001168244679 1025381653 /nfs/dbraw/zinc/38/16/53/1025381653.db2.gz QXGPMFMFDKADSM-QGZVFWFLSA-N 0 1 323.440 3.758 20 10 DHCDMN CC(C)[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805189082 1025550886 /nfs/dbraw/zinc/55/08/86/1025550886.db2.gz PQBYYBIBDIYKRG-SECBINFHSA-N 0 1 319.232 3.790 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)CSC)c1cc(Br)ccc1[O-] ZINC000137414938 1025565739 /nfs/dbraw/zinc/56/57/39/1025565739.db2.gz DDCLPTXWXJPBHK-CABZTGNLSA-N 0 1 318.280 3.947 20 10 DHCDMN CC1(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805399471 1025582437 /nfs/dbraw/zinc/58/24/37/1025582437.db2.gz XBVHPUKFFQYYEU-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])s1 ZINC000894014611 1025656252 /nfs/dbraw/zinc/65/62/52/1025656252.db2.gz NLNUMVQDWMPWNH-VIFPVBQESA-N 0 1 312.385 3.937 20 10 DHCDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])n1 ZINC000894031129 1025657900 /nfs/dbraw/zinc/65/79/00/1025657900.db2.gz PHMMIVIOPZVCQA-INIZCTEOSA-N 0 1 304.340 3.711 20 10 DHCDMN C[C@H]1C[C@H](NCc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684388 1025785422 /nfs/dbraw/zinc/78/54/22/1025785422.db2.gz KPBRPZHRIJDUAP-XPTSAGLGSA-N 0 1 302.349 3.735 20 10 DHCDMN CC[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806128644 1025792904 /nfs/dbraw/zinc/79/29/04/1025792904.db2.gz UVJGDOSJUIPJQI-MRXNPFEDSA-N 0 1 310.869 3.962 20 10 DHCDMN COc1ccc(CN[C@@H](c2nnc3ccccn32)C(C)C)cc1C ZINC000237337609 1025823913 /nfs/dbraw/zinc/82/39/13/1025823913.db2.gz NKABHMGLEJJXKS-GOSISDBHSA-N 0 1 324.428 3.533 20 10 DHCDMN CC[N@H+](Cc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000076118603 1025861192 /nfs/dbraw/zinc/86/11/92/1025861192.db2.gz GMSWUXDGNIEYEG-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Br)ccc1[O-] ZINC000076118603 1025861212 /nfs/dbraw/zinc/86/12/12/1025861212.db2.gz GMSWUXDGNIEYEG-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839969 1026123434 /nfs/dbraw/zinc/12/34/34/1026123434.db2.gz NZQGTESLVJQYKE-RKDXNWHRSA-N 0 1 304.217 3.997 20 10 DHCDMN Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807836466 1026128232 /nfs/dbraw/zinc/12/82/32/1026128232.db2.gz XQQSYWDCKPGTDY-UHFFFAOYSA-N 0 1 324.207 3.866 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC(F)(F)C1 ZINC000807836193 1026128466 /nfs/dbraw/zinc/12/84/66/1026128466.db2.gz RCCZUDHHWJGTHY-SSDOTTSWSA-N 0 1 324.154 3.751 20 10 DHCDMN CC(C)[C@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836594 1026129728 /nfs/dbraw/zinc/12/97/28/1026129728.db2.gz GVBHPPXKUWDDEB-GHMZBOCLSA-N 0 1 302.201 3.607 20 10 DHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807837978 1026131492 /nfs/dbraw/zinc/13/14/92/1026131492.db2.gz IFJBONQUMFCFRX-UHFFFAOYSA-N 0 1 310.180 3.937 20 10 DHCDMN Cc1ccsc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837179 1026131996 /nfs/dbraw/zinc/13/19/96/1026131996.db2.gz FHDQAOJRDXILTI-UHFFFAOYSA-N 0 1 316.209 3.999 20 10 DHCDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000808444614 1026288474 /nfs/dbraw/zinc/28/84/74/1026288474.db2.gz PDNSPWNRRDHYLP-SGTLLEGYSA-N 0 1 300.377 3.504 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC2(CCC2)CC1 ZINC000809707225 1026599096 /nfs/dbraw/zinc/59/90/96/1026599096.db2.gz TWNSDWRECXMAIU-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214849 1026707417 /nfs/dbraw/zinc/70/74/17/1026707417.db2.gz KDNAPBCQPPKGFL-GXTWGEPZSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213534 1026707759 /nfs/dbraw/zinc/70/77/59/1026707759.db2.gz USEMPLHMTOFFLS-OCCSQVGLSA-N 0 1 316.367 3.546 20 10 DHCDMN CCC[C@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217378 1026709301 /nfs/dbraw/zinc/70/93/01/1026709301.db2.gz CFQDYJBCXCMCNU-WCQYABFASA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218076 1026710250 /nfs/dbraw/zinc/71/02/50/1026710250.db2.gz OLPJVOGDLDJRTC-DGFSRKRXSA-N 0 1 319.367 3.859 20 10 DHCDMN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237785 1026725519 /nfs/dbraw/zinc/72/55/19/1026725519.db2.gz WFQLTLKXOSXLLB-CLDOCUBWSA-N 0 1 317.351 3.779 20 10 DHCDMN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238387 1026726559 /nfs/dbraw/zinc/72/65/59/1026726559.db2.gz ZUNLZJVVAXONPS-FZMZJTMJSA-N 0 1 317.351 3.878 20 10 DHCDMN COCC1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000812826387 1027419201 /nfs/dbraw/zinc/41/92/01/1027419201.db2.gz LKNPSPVULKWRPX-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN COCC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000812826387 1027419208 /nfs/dbraw/zinc/41/92/08/1027419208.db2.gz LKNPSPVULKWRPX-UHFFFAOYSA-N 0 1 303.446 3.954 20 10 DHCDMN COc1ccc(CCC[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000779000161 1027756215 /nfs/dbraw/zinc/75/62/15/1027756215.db2.gz QVROPGOJPCTBMW-UHFFFAOYSA-N 0 1 303.377 3.605 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](C)CO1 ZINC000779021432 1027863445 /nfs/dbraw/zinc/86/34/45/1027863445.db2.gz YOXPUEDBDDUDHM-LIRRHRJNSA-N 0 1 315.388 3.802 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000367308750 1028161977 /nfs/dbraw/zinc/16/19/77/1028161977.db2.gz QXVCVRHUSAFPKB-FAJBIJEISA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000367308750 1028161981 /nfs/dbraw/zinc/16/19/81/1028161981.db2.gz QXVCVRHUSAFPKB-FAJBIJEISA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000367308750 1028161987 /nfs/dbraw/zinc/16/19/87/1028161987.db2.gz QXVCVRHUSAFPKB-FAJBIJEISA-N 0 1 303.446 3.859 20 10 DHCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C ZINC000188294680 1028505951 /nfs/dbraw/zinc/50/59/51/1028505951.db2.gz WYMJDNAIUNXDDY-RNCFNFMXSA-N 0 1 304.217 3.556 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1[O-] ZINC000815643102 1028589482 /nfs/dbraw/zinc/58/94/82/1028589482.db2.gz UBRIETQJVUWASB-QMTHXVAHSA-N 0 1 306.793 3.948 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(O)CCCCCC1 ZINC000779203635 1028697385 /nfs/dbraw/zinc/69/73/85/1028697385.db2.gz FCVWGNHMXHLKPE-UHFFFAOYSA-N 0 1 315.816 3.702 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cn3cccc(C)c3n2)cc1 ZINC000076895308 1028752301 /nfs/dbraw/zinc/75/23/01/1028752301.db2.gz WOEBAPFWOKQATK-UHFFFAOYSA-N 0 1 322.456 3.779 20 10 DHCDMN COc1cccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816480995 1028887470 /nfs/dbraw/zinc/88/74/70/1028887470.db2.gz DPFUIIRIPRZMCG-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000816484110 1028892120 /nfs/dbraw/zinc/89/21/20/1028892120.db2.gz PVOQXOXXVKLNFN-QGZVFWFLSA-N 0 1 321.779 3.758 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOc3ccccc3C2)ccc2ccccc21 ZINC000816494305 1028897775 /nfs/dbraw/zinc/89/77/75/1028897775.db2.gz GFZKGWNBZLXSEY-UHFFFAOYSA-N 0 1 305.377 3.940 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOc3ccccc3C2)ccc2ccccc21 ZINC000816494305 1028897787 /nfs/dbraw/zinc/89/77/87/1028897787.db2.gz GFZKGWNBZLXSEY-UHFFFAOYSA-N 0 1 305.377 3.940 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)no1 ZINC000372817525 1028907178 /nfs/dbraw/zinc/90/71/78/1028907178.db2.gz ZVKFGTMCKDWDQS-CYBMUJFWSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501933 1028909778 /nfs/dbraw/zinc/90/97/78/1028909778.db2.gz HLBDGABPPZXWAG-KRWDZBQOSA-N 0 1 307.397 3.579 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc2ccccc21 ZINC000816501933 1028909792 /nfs/dbraw/zinc/90/97/92/1028909792.db2.gz HLBDGABPPZXWAG-KRWDZBQOSA-N 0 1 307.397 3.579 20 10 DHCDMN CC(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816535622 1028923134 /nfs/dbraw/zinc/92/31/34/1028923134.db2.gz UWVSJTAMKBYPMF-UHFFFAOYSA-N 0 1 320.392 3.794 20 10 DHCDMN [O-]c1c(C[NH2+]CCOc2cccc(F)c2)ccc2ccccc21 ZINC000816537251 1028927421 /nfs/dbraw/zinc/92/74/21/1028927421.db2.gz YEZGKILAGFHJIS-UHFFFAOYSA-N 0 1 311.356 3.853 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2COc3ccccc3C2)ccc2ccccc21 ZINC000816528035 1028936417 /nfs/dbraw/zinc/93/64/17/1028936417.db2.gz JPRUDYFQKWTJII-OAHLLOKOSA-N 0 1 319.404 3.886 20 10 DHCDMN Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816588004 1028937505 /nfs/dbraw/zinc/93/75/05/1028937505.db2.gz CUSUYIHVENKDIH-IBGZPJMESA-N 0 1 321.420 3.547 20 10 DHCDMN CCCN(Cc1cccc([O-])c1Cl)c1ccc(C[NH3+])cc1 ZINC000816592146 1028938896 /nfs/dbraw/zinc/93/88/96/1028938896.db2.gz AFCCPOWFGRUXHM-UHFFFAOYSA-N 0 1 304.821 3.921 20 10 DHCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000816551749 1028943025 /nfs/dbraw/zinc/94/30/25/1028943025.db2.gz NVAQXCIIVPEQSB-QZTJIDSGSA-N 0 1 311.425 3.983 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000816560662 1028946415 /nfs/dbraw/zinc/94/64/15/1028946415.db2.gz WUBZGRFVLGPRIY-OAHLLOKOSA-N 0 1 313.800 3.576 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(O)c1 ZINC000816597385 1028955897 /nfs/dbraw/zinc/95/58/97/1028955897.db2.gz PLIBDNULUGCHDN-UHFFFAOYSA-N 0 1 309.365 3.549 20 10 DHCDMN CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816662385 1028982103 /nfs/dbraw/zinc/98/21/03/1028982103.db2.gz OEHZVPICVWQTLR-FQEVSTJZSA-N 0 1 313.441 3.776 20 10 DHCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816662385 1028982115 /nfs/dbraw/zinc/98/21/15/1028982115.db2.gz OEHZVPICVWQTLR-FQEVSTJZSA-N 0 1 313.441 3.776 20 10 DHCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662807 1028985810 /nfs/dbraw/zinc/98/58/10/1028985810.db2.gz ZAUCTIHUGZKTFQ-QGZVFWFLSA-N 0 1 311.853 3.585 20 10 DHCDMN CO[C@H](C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000688106351 1029289656 /nfs/dbraw/zinc/28/96/56/1029289656.db2.gz PMSMJDBLRCYAPP-SNVBAGLBSA-N 0 1 306.233 3.944 20 10 DHCDMN COc1ccccc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000865821539 1030042537 /nfs/dbraw/zinc/04/25/37/1030042537.db2.gz GJTCLBSFVZDQOO-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000290525450 1030089833 /nfs/dbraw/zinc/08/98/33/1030089833.db2.gz QGXWEKWKNKZCJM-CQSZACIVSA-N 0 1 305.809 3.723 20 10 DHCDMN COC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000866505349 1030330303 /nfs/dbraw/zinc/33/03/03/1030330303.db2.gz XVPLBIUHJCYQCW-JTQLQIEISA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000866528246 1030348090 /nfs/dbraw/zinc/34/80/90/1030348090.db2.gz CIPVXBUJULJMRO-UMVBOHGHSA-N 0 1 319.420 3.876 20 10 DHCDMN CCN(C)c1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000777565889 1030403976 /nfs/dbraw/zinc/40/39/76/1030403976.db2.gz HXWYZEAMKWUJAT-HNNXBMFYSA-N 0 1 321.428 3.897 20 10 DHCDMN CCCOc1ccc(CNCc2oc(CCC)nc2C)c(O)c1 ZINC000291656198 1030583868 /nfs/dbraw/zinc/58/38/68/1030583868.db2.gz DMEYXLMQZCPBDQ-UHFFFAOYSA-N 0 1 318.417 3.720 20 10 DHCDMN CC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824783570 1030651731 /nfs/dbraw/zinc/65/17/31/1030651731.db2.gz WATIBHGORDTYQA-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000824783570 1030651739 /nfs/dbraw/zinc/65/17/39/1030651739.db2.gz WATIBHGORDTYQA-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CSCC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824843511 1030660349 /nfs/dbraw/zinc/66/03/49/1030660349.db2.gz PKAACWRDQFBCEA-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824843511 1030660358 /nfs/dbraw/zinc/66/03/58/1030660358.db2.gz PKAACWRDQFBCEA-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824920374 1030671829 /nfs/dbraw/zinc/67/18/29/1030671829.db2.gz MBXOSKVQMOFMBJ-INIZCTEOSA-N 0 1 319.836 3.733 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824920374 1030671833 /nfs/dbraw/zinc/67/18/33/1030671833.db2.gz MBXOSKVQMOFMBJ-INIZCTEOSA-N 0 1 319.836 3.733 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000824920374 1030671839 /nfs/dbraw/zinc/67/18/39/1030671839.db2.gz MBXOSKVQMOFMBJ-INIZCTEOSA-N 0 1 319.836 3.733 20 10 DHCDMN Oc1ccc(F)cc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045309 1030706731 /nfs/dbraw/zinc/70/67/31/1030706731.db2.gz CYQWIUPBFDOISV-LBPRGKRZSA-N 0 1 311.278 3.726 20 10 DHCDMN Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)o1 ZINC000825304177 1030770454 /nfs/dbraw/zinc/77/04/54/1030770454.db2.gz RXQFHZLQLPYXGN-QGZVFWFLSA-N 0 1 323.820 3.561 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2cccnc2)C2CC2)cc1Cl ZINC000825390127 1030787314 /nfs/dbraw/zinc/78/73/14/1030787314.db2.gz AFLHWPRZNNTCKZ-KRWDZBQOSA-N 0 1 302.805 3.990 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2[O-] ZINC000926915413 1030987206 /nfs/dbraw/zinc/98/72/06/1030987206.db2.gz GNGPLMBIUHOACP-HMECXNKFSA-N 0 1 305.393 3.628 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1[O-] ZINC000927107122 1031092111 /nfs/dbraw/zinc/09/21/11/1031092111.db2.gz CTJZOTYUAQQRGH-HNNXBMFYSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107122 1031092128 /nfs/dbraw/zinc/09/21/28/1031092128.db2.gz CTJZOTYUAQQRGH-HNNXBMFYSA-N 0 1 319.836 3.897 20 10 DHCDMN CCCc1nc(C)c(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000292888478 1031236893 /nfs/dbraw/zinc/23/68/93/1031236893.db2.gz YQJUDYJDGUAMGZ-UHFFFAOYSA-N 0 1 308.809 3.893 20 10 DHCDMN CCCN(CCC)c1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000844934528 1031407738 /nfs/dbraw/zinc/40/77/38/1031407738.db2.gz NKXBHAKGEXGMCB-YJBOKZPZSA-N 0 1 318.461 3.751 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@@H]1C ZINC001144299929 1031438989 /nfs/dbraw/zinc/43/89/89/1031438989.db2.gz MSAOKQJMXDQYFT-NXEZZACHSA-N 0 1 316.214 3.914 20 10 DHCDMN CCc1onc(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929295962 1031487528 /nfs/dbraw/zinc/48/75/28/1031487528.db2.gz NJEACDBADNJWIB-UHFFFAOYSA-N 0 1 313.445 3.776 20 10 DHCDMN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc2ccccc2c1[O-] ZINC000872111656 1031502876 /nfs/dbraw/zinc/50/28/76/1031502876.db2.gz FNVKOTSLEGHRFJ-ZFWWWQNUSA-N 0 1 313.397 3.539 20 10 DHCDMN CCCc1nc(C)c(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000293797947 1031630275 /nfs/dbraw/zinc/63/02/75/1031630275.db2.gz UTHRDEZMJSXPGR-LLVKDONJSA-N 0 1 304.390 3.501 20 10 DHCDMN COC/C(C)=C/CN(Cc1ccco1)Cc1ccccc1O ZINC000929970062 1031663609 /nfs/dbraw/zinc/66/36/09/1031663609.db2.gz HTLHLNVGQRSXCU-OQLLNIDSSA-N 0 1 301.386 3.580 20 10 DHCDMN CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000294011005 1031752747 /nfs/dbraw/zinc/75/27/47/1031752747.db2.gz UHNXKQABTOXYPC-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000845973270 1031788882 /nfs/dbraw/zinc/78/88/82/1031788882.db2.gz XAIJSAGFMRBMPE-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN Cc1cc(Cl)cc(CN[C@H](c2ccccc2F)[C@@H](C)O)c1O ZINC000846019102 1031808089 /nfs/dbraw/zinc/80/80/89/1031808089.db2.gz XQDKQKPJZPORFS-BZNIZROVSA-N 0 1 323.795 3.705 20 10 DHCDMN COc1cccc([C@H](C)N[C@@H]2COc3c2cccc3Cl)c1O ZINC000846154815 1031885635 /nfs/dbraw/zinc/88/56/35/1031885635.db2.gz TYPHSODYMQWCDR-IINYFYTJSA-N 0 1 319.788 3.839 20 10 DHCDMN COc1cccc([C@@H](C)N[C@@H](C)c2c(F)cccc2OC)c1O ZINC000846144520 1031905632 /nfs/dbraw/zinc/90/56/32/1031905632.db2.gz HKRZQEOHGWTSPC-NEPJUHHUSA-N 0 1 319.376 3.960 20 10 DHCDMN C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000846184056 1031916170 /nfs/dbraw/zinc/91/61/70/1031916170.db2.gz QICVOLVLOBVQTI-DINDLPBHSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183957 1031916905 /nfs/dbraw/zinc/91/69/05/1031916905.db2.gz PRBNADHSFCIVGI-CKFHNAJUSA-N 0 1 316.420 3.664 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@](C)(O)c1ccccc1 ZINC000846185540 1031919768 /nfs/dbraw/zinc/91/97/68/1031919768.db2.gz APTYROHJTRQKER-VEVIJQCQSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000846187089 1031919965 /nfs/dbraw/zinc/91/99/65/1031919965.db2.gz IEZQUWQOJSPUFA-KOXAJKMWSA-N 0 1 319.420 3.874 20 10 DHCDMN Cc1cccc(CNCc2cc(F)ccc2Br)c1O ZINC000124717830 1031951076 /nfs/dbraw/zinc/95/10/76/1031951076.db2.gz BTMMWLXZAXULDY-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172762376 1033357436 /nfs/dbraw/zinc/35/74/36/1033357436.db2.gz WWPVXELOWBIZOK-AWEZNQCLSA-N 0 1 315.413 3.755 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516949 1034081522 /nfs/dbraw/zinc/08/15/22/1034081522.db2.gz ZEWDDDPVLBAHFQ-DZGCQCFKSA-N 0 1 309.837 3.684 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1Cl ZINC000826142374 1034210160 /nfs/dbraw/zinc/21/01/60/1034210160.db2.gz ANQVFCYMLSQKMW-AWEZNQCLSA-N 0 1 301.764 3.975 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1Cl ZINC000826142374 1034210183 /nfs/dbraw/zinc/21/01/83/1034210183.db2.gz ANQVFCYMLSQKMW-AWEZNQCLSA-N 0 1 301.764 3.975 20 10 DHCDMN COCCOc1ccc(NCc2ccc(F)c(F)c2O)c(C)c1 ZINC000864022386 1034260563 /nfs/dbraw/zinc/26/05/63/1034260563.db2.gz PVOXYZRNQVLQCF-UHFFFAOYSA-N 0 1 323.339 3.616 20 10 DHCDMN Cn1ccnc1-c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864025169 1034262620 /nfs/dbraw/zinc/26/26/20/1034262620.db2.gz FPJIEOLOAKJMBJ-UHFFFAOYSA-N 0 1 315.323 3.683 20 10 DHCDMN COCCCOc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864026776 1034264904 /nfs/dbraw/zinc/26/49/04/1034264904.db2.gz CKGJAJWXPCDOOM-UHFFFAOYSA-N 0 1 323.339 3.698 20 10 DHCDMN C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183714967 1034414716 /nfs/dbraw/zinc/41/47/16/1034414716.db2.gz SWAXYAKWXZUVPY-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183714967 1034414721 /nfs/dbraw/zinc/41/47/21/1034414721.db2.gz SWAXYAKWXZUVPY-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1OC ZINC000185076770 1034527996 /nfs/dbraw/zinc/52/79/96/1034527996.db2.gz YAESBHBPOAXHMG-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN Cc1cc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)[nH]n1 ZINC001176484121 1035278282 /nfs/dbraw/zinc/27/82/82/1035278282.db2.gz ANQNPJKOKJTDFI-LJQANCHMSA-N 0 1 312.461 3.820 20 10 DHCDMN CN1CCCc2cc(CNCc3cccc(F)c3F)ccc21 ZINC001177529180 1035377072 /nfs/dbraw/zinc/37/70/72/1035377072.db2.gz MODWJMPYGKVSLO-UHFFFAOYSA-N 0 1 302.368 3.637 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c(Cl)c1 ZINC001178773648 1035449088 /nfs/dbraw/zinc/44/90/88/1035449088.db2.gz BEXUBUGXBFHYIK-YOEHRIQHSA-N 0 1 313.869 3.733 20 10 DHCDMN C[C@@H]1Cc2cc(C[NH2+]Cc3c([O-])cccc3Cl)ccc2O1 ZINC001179537370 1035481103 /nfs/dbraw/zinc/48/11/03/1035481103.db2.gz ISYOWWIDNNPJFW-LLVKDONJSA-N 0 1 303.789 3.659 20 10 DHCDMN COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001179988503 1035554353 /nfs/dbraw/zinc/55/43/53/1035554353.db2.gz FEKDQKLOPFGGMP-LBPRGKRZSA-N 0 1 321.367 3.742 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001180042931 1035573395 /nfs/dbraw/zinc/57/33/95/1035573395.db2.gz MLJGNIROTSASLE-DVOMOZLQSA-N 0 1 324.415 3.508 20 10 DHCDMN CC(C)C[N@H+](Cc1ccccn1)Cc1c([O-])ccc2ccncc21 ZINC000905746862 1035622297 /nfs/dbraw/zinc/62/22/97/1035622297.db2.gz XZEKANNHERYGEX-UHFFFAOYSA-N 0 1 321.424 3.994 20 10 DHCDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2ccncc21 ZINC000905746862 1035622309 /nfs/dbraw/zinc/62/23/09/1035622309.db2.gz XZEKANNHERYGEX-UHFFFAOYSA-N 0 1 321.424 3.994 20 10 DHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648060 1036187799 /nfs/dbraw/zinc/18/77/99/1036187799.db2.gz OQEQOLUWXWOCJF-UHFFFAOYSA-N 0 1 315.175 3.865 20 10 DHCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCCC[C@H]1C ZINC001195358062 1036228074 /nfs/dbraw/zinc/22/80/74/1036228074.db2.gz KCKWXYFIFGUPRR-HZPDHXFCSA-N 0 1 319.445 3.584 20 10 DHCDMN Cc1cc(Cl)cc(CN2CCc3ccc(O)cc3C2)c1O ZINC000775656442 1036248803 /nfs/dbraw/zinc/24/88/03/1036248803.db2.gz UREWUPKURQCAMU-UHFFFAOYSA-N 0 1 303.789 3.618 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2cc(Cl)cc(C)c2O)on1 ZINC000775656067 1036250342 /nfs/dbraw/zinc/25/03/42/1036250342.db2.gz OAKZJZRYKVDNFA-CQSZACIVSA-N 0 1 306.793 3.988 20 10 DHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1OCCc2ccccc21 ZINC000775661176 1036275023 /nfs/dbraw/zinc/27/50/23/1036275023.db2.gz MTZIOYBBAMPTGG-QGZVFWFLSA-N 0 1 317.816 3.791 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000775667555 1036317662 /nfs/dbraw/zinc/31/76/62/1036317662.db2.gz LAKVAWRIBQSGNW-ZDUSSCGKSA-N 0 1 309.772 3.635 20 10 DHCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](CC)CO1 ZINC001182755817 1036434851 /nfs/dbraw/zinc/43/48/51/1036434851.db2.gz VHTHIIKMDCELIY-QWRGUYRKSA-N 0 1 301.789 3.574 20 10 DHCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](CC)CO1 ZINC001182755818 1036436662 /nfs/dbraw/zinc/43/66/62/1036436662.db2.gz VHTHIIKMDCELIY-WDEREUQCSA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1cc(Cl)cc(CN2CCN(c3cccs3)CC2)c1O ZINC000775725824 1036559955 /nfs/dbraw/zinc/55/99/55/1036559955.db2.gz UAKHQBXLYCPZTH-UHFFFAOYSA-N 0 1 322.861 3.738 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCc2c(F)cc(F)cc2C1 ZINC000775733686 1036583322 /nfs/dbraw/zinc/58/33/22/1036583322.db2.gz GYFIDJXPKNYXHK-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000775732752 1036587463 /nfs/dbraw/zinc/58/74/63/1036587463.db2.gz PUXIZUXWFLDHTA-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN CC(C)[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC001203585437 1036802828 /nfs/dbraw/zinc/80/28/28/1036802828.db2.gz ITGXPVZTCVOCGD-NSHDSACASA-N 0 1 317.260 3.614 20 10 DHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC001184373581 1036839223 /nfs/dbraw/zinc/83/92/23/1036839223.db2.gz AIFHYFIUCQQHBG-CQSZACIVSA-N 0 1 315.816 3.822 20 10 DHCDMN COc1ccc(F)cc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000237184470 1036997357 /nfs/dbraw/zinc/99/73/57/1036997357.db2.gz QAGKVTZXRRRGGM-LBPRGKRZSA-N 0 1 301.361 3.620 20 10 DHCDMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774879606 1037155080 /nfs/dbraw/zinc/15/50/80/1037155080.db2.gz JGTMWLMJSBYCPW-NWDGAFQWSA-N 0 1 322.405 3.708 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203636135 1037364802 /nfs/dbraw/zinc/36/48/02/1037364802.db2.gz PRBNYZOYBROSGU-RYUDHWBXSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203636135 1037364808 /nfs/dbraw/zinc/36/48/08/1037364808.db2.gz PRBNYZOYBROSGU-RYUDHWBXSA-N 0 1 310.235 3.777 20 10 DHCDMN C[C@H](NCc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000775365121 1038274662 /nfs/dbraw/zinc/27/46/62/1038274662.db2.gz UEUHPQPZBQPLEC-LBPRGKRZSA-N 0 1 301.459 3.549 20 10 DHCDMN C[C@@H](NCc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775362572 1038275125 /nfs/dbraw/zinc/27/51/25/1038275125.db2.gz IFHREZQHNJRUHS-CYBMUJFWSA-N 0 1 315.486 3.939 20 10 DHCDMN CC[C@H](NCc1csc([C@H](C)OC)n1)c1ccccc1O ZINC000775414915 1038392827 /nfs/dbraw/zinc/39/28/27/1038392827.db2.gz LKSDIQWOHRJVFR-FZMZJTMJSA-N 0 1 306.431 3.797 20 10 DHCDMN CC[C@@H](NCc1nc(C)c2ccccc2n1)c1ccccc1O ZINC000775414969 1038394095 /nfs/dbraw/zinc/39/40/95/1038394095.db2.gz MWFSNWNMGOFTQS-MRXNPFEDSA-N 0 1 307.397 3.885 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)C[C@](C)(O)c1ccc(F)cc1 ZINC001191289470 1038480790 /nfs/dbraw/zinc/48/07/90/1038480790.db2.gz NAAWDKFIKUAGIH-IBGZPJMESA-N 0 1 317.404 3.651 20 10 DHCDMN CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775486751 1038553999 /nfs/dbraw/zinc/55/39/99/1038553999.db2.gz GTDFRNPSORWJAG-MRXNPFEDSA-N 0 1 321.852 3.679 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775498199 1038580843 /nfs/dbraw/zinc/58/08/43/1038580843.db2.gz INFPVMLRJYOXEY-MEBBXXQBSA-N 0 1 307.825 3.889 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775498197 1038581296 /nfs/dbraw/zinc/58/12/96/1038581296.db2.gz INFPVMLRJYOXEY-BONVTDFDSA-N 0 1 307.825 3.889 20 10 DHCDMN CC[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1[O-] ZINC000775500902 1038589593 /nfs/dbraw/zinc/58/95/93/1038589593.db2.gz AOUOMFBMKDREIC-INIZCTEOSA-N 0 1 305.805 3.779 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775508561 1038593043 /nfs/dbraw/zinc/59/30/43/1038593043.db2.gz CGPAIJBLJHDQNJ-UKRRQHHQSA-N 0 1 309.793 3.721 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775536666 1038679633 /nfs/dbraw/zinc/67/96/33/1038679633.db2.gz MQPDUMZDZMIYCK-ZYHUDNBSSA-N 0 1 311.731 3.664 20 10 DHCDMN C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000760897432 1039038264 /nfs/dbraw/zinc/03/82/64/1039038264.db2.gz LTGKFBXCLDFVRZ-NSHDSACASA-N 0 1 315.804 3.783 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000158260323 1040192512 /nfs/dbraw/zinc/19/25/12/1040192512.db2.gz RZMBLBDFBJVUPC-CRAIPNDOSA-N 0 1 321.420 3.800 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+](C)C2Cc3ccccc3C2)c1[O-] ZINC000761194705 1040554780 /nfs/dbraw/zinc/55/47/80/1040554780.db2.gz FKPVYSDROLLINM-UHFFFAOYSA-N 0 1 317.816 3.653 20 10 DHCDMN COc1cc(Cl)cc(C[N@@H+](C)C2Cc3ccccc3C2)c1[O-] ZINC000761194705 1040554798 /nfs/dbraw/zinc/55/47/98/1040554798.db2.gz FKPVYSDROLLINM-UHFFFAOYSA-N 0 1 317.816 3.653 20 10 DHCDMN COc1cc(Cl)cc(CN2CCc3ccccc3C2)c1O ZINC000228560954 1040942587 /nfs/dbraw/zinc/94/25/87/1040942587.db2.gz PTYYBBJBQZWGDG-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527029 130132442 /nfs/dbraw/zinc/13/24/42/130132442.db2.gz VMXMTMKTHLTGMW-QWHCGFSZSA-N 0 1 302.422 3.662 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000286739855 131248290 /nfs/dbraw/zinc/24/82/90/131248290.db2.gz HXUCWVIFEIAKQB-UHFFFAOYSA-N 0 1 315.335 3.744 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1cnc(C(C)(C)C)nc1 ZINC000560287722 332327653 /nfs/dbraw/zinc/32/76/53/332327653.db2.gz GVCPDCHWOANTOV-UHFFFAOYSA-N 0 1 322.456 3.864 20 10 DHCDMN CCOc1cccc(CNC2(c3nc(C)cs3)CCC2)c1O ZINC000263645168 333946862 /nfs/dbraw/zinc/94/68/62/333946862.db2.gz BDKWQBJDSMWGQH-UHFFFAOYSA-N 0 1 318.442 3.725 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214697 336840366 /nfs/dbraw/zinc/84/03/66/336840366.db2.gz ZUYPNPYEHAQDFI-QMTHXVAHSA-N 0 1 305.324 3.763 20 10 DHCDMN C[C@@H](N[C@H](C)c1ccccc1O)c1nccn1-c1ccccc1 ZINC000376563428 337036932 /nfs/dbraw/zinc/03/69/32/337036932.db2.gz TXIHYYSBJCCKDL-HUUCEWRRSA-N 0 1 307.397 3.990 20 10 DHCDMN Cc1nc([C@@H](N[C@@H](C)c2cc(C)ccc2O)c2ccccc2)n[nH]1 ZINC000185324296 337205110 /nfs/dbraw/zinc/20/51/10/337205110.db2.gz PHTWMGYRCBXIHW-UGSOOPFHSA-N 0 1 322.412 3.567 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684532 337250142 /nfs/dbraw/zinc/25/01/42/337250142.db2.gz JMLZGGXNUALAHV-DZGCQCFKSA-N 0 1 314.433 3.601 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186442304 337256141 /nfs/dbraw/zinc/25/61/41/337256141.db2.gz YYTVNGZFEUVKNQ-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186442304 337256142 /nfs/dbraw/zinc/25/61/42/337256142.db2.gz YYTVNGZFEUVKNQ-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@H]1C1CC1 ZINC000529391294 340753903 /nfs/dbraw/zinc/75/39/03/340753903.db2.gz FJKRITGUHPWPPX-HAGUPOPPSA-N 0 1 314.212 3.607 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cn3cc(C)ccc3n2)cc1 ZINC000268899524 520284593 /nfs/dbraw/zinc/28/45/93/520284593.db2.gz LWVNIEZPAVMXPV-MRXNPFEDSA-N 0 1 322.456 3.950 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000182413667 524771898 /nfs/dbraw/zinc/77/18/98/524771898.db2.gz NCOMESDWYUPSHN-JTQLQIEISA-N 0 1 304.415 3.586 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000184857684 525383740 /nfs/dbraw/zinc/38/37/40/525383740.db2.gz BFEKAKSZIMVXLN-FZMZJTMJSA-N 0 1 308.809 3.592 20 10 DHCDMN C[C@@H]1[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCC12CCOCC2 ZINC000364780833 525547105 /nfs/dbraw/zinc/54/71/05/525547105.db2.gz XFXBLFRYSAXMMC-NSHDSACASA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365664661 526346170 /nfs/dbraw/zinc/34/61/70/526346170.db2.gz WJJFBCCQXBZUJX-HOTGVXAUSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365664661 526346173 /nfs/dbraw/zinc/34/61/73/526346173.db2.gz WJJFBCCQXBZUJX-HOTGVXAUSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000264987433 526365470 /nfs/dbraw/zinc/36/54/70/526365470.db2.gz WGDDETWOYRQMRJ-AWEZNQCLSA-N 0 1 307.752 3.798 20 10 DHCDMN Oc1cccc(Cl)c1CN[C@H]1CCOc2ccc(F)cc21 ZINC000264987433 526365471 /nfs/dbraw/zinc/36/54/71/526365471.db2.gz WGDDETWOYRQMRJ-AWEZNQCLSA-N 0 1 307.752 3.798 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC001593708880 954168553 /nfs/dbraw/zinc/16/85/53/954168553.db2.gz JLXJOGMTOWSBFV-UHFFFAOYSA-N 0 1 324.424 3.615 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(Cl)c1 ZINC001203200585 1013354662 /nfs/dbraw/zinc/35/46/62/1013354662.db2.gz QQMOCRNQFGARQA-MORSLUCNSA-N 0 1 317.791 3.921 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(Cl)c1 ZINC001203200583 1013355847 /nfs/dbraw/zinc/35/58/47/1013355847.db2.gz QQMOCRNQFGARQA-JEBQAFNWSA-N 0 1 317.791 3.921 20 10 DHCDMN CC(C)(C)CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000840998704 969221128 /nfs/dbraw/zinc/22/11/28/969221128.db2.gz OMESZVIYTVNESP-LBPRGKRZSA-N 0 1 317.788 3.554 20 10 DHCDMN COc1ccc(F)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000726980634 1014318655 /nfs/dbraw/zinc/31/86/55/1014318655.db2.gz CKPCGUXALOFBHZ-UHFFFAOYSA-N 0 1 302.393 3.532 20 10 DHCDMN COCCOCCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000322392641 1032093177 /nfs/dbraw/zinc/09/31/77/1032093177.db2.gz MUSIKKUNBSGGIF-OAHLLOKOSA-N 0 1 317.429 3.639 20 10 DHCDMN COc1cc(C)cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1OC ZINC000895137493 1014558217 /nfs/dbraw/zinc/55/82/17/1014558217.db2.gz WCFWYAYVAVLXNW-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895156525 1014663407 /nfs/dbraw/zinc/66/34/07/1014663407.db2.gz XURXFGIBSFLVMY-UHFFFAOYSA-N 0 1 303.789 3.660 20 10 DHCDMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001595362576 980772718 /nfs/dbraw/zinc/77/27/18/980772718.db2.gz KKGVIGMCAIXOPC-INIZCTEOSA-N 0 1 317.360 3.569 20 10 DHCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001595362576 980772722 /nfs/dbraw/zinc/77/27/22/980772722.db2.gz KKGVIGMCAIXOPC-INIZCTEOSA-N 0 1 317.360 3.569 20 10 DHCDMN CCN(C)c1ccc(C[N@@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])cc1 ZINC001596194409 983577333 /nfs/dbraw/zinc/57/73/33/983577333.db2.gz LAJRJGNAINUHKX-LJQANCHMSA-N 0 1 318.461 3.608 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844542 1015324264 /nfs/dbraw/zinc/32/42/64/1015324264.db2.gz LXFXZOUNEJTJQM-YGRLFVJLSA-N 0 1 316.228 3.700 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844541 1015323589 /nfs/dbraw/zinc/32/35/89/1015323589.db2.gz LXFXZOUNEJTJQM-QMTHXVAHSA-N 0 1 316.228 3.700 20 10 DHCDMN Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140461939 1015441825 /nfs/dbraw/zinc/44/18/25/1015441825.db2.gz ZIWJLJFIXLGZDI-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN Cc1ccc(N2CCN(Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140461939 1015441831 /nfs/dbraw/zinc/44/18/31/1015441831.db2.gz ZIWJLJFIXLGZDI-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000277174765 1016008237 /nfs/dbraw/zinc/00/82/37/1016008237.db2.gz SIDNIWKWVXYXTI-LLVKDONJSA-N 0 1 320.177 3.993 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCS1 ZINC000896953181 1016957658 /nfs/dbraw/zinc/95/76/58/1016957658.db2.gz WBZMNMLUCQYUQW-CABZTGNLSA-N 0 1 316.264 3.528 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2c(F)cccc2OC)c1 ZINC000185566663 1017014983 /nfs/dbraw/zinc/01/49/83/1017014983.db2.gz NURZQKQGXVFRGW-NEPJUHHUSA-N 0 1 319.376 3.960 20 10 DHCDMN COCc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000840874611 1017241312 /nfs/dbraw/zinc/24/13/12/1017241312.db2.gz HUGOTAPZMAZRCQ-UHFFFAOYSA-N 0 1 305.805 3.790 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000773007452 1032522233 /nfs/dbraw/zinc/52/22/33/1032522233.db2.gz GHLNPWCUKQSPFB-KUHUBIRLSA-N 0 1 316.420 3.666 20 10 DHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160149066 1011900279 /nfs/dbraw/zinc/90/02/79/1011900279.db2.gz OSXDTRSWQJQKGA-LSDHHAIUSA-N 0 1 300.402 3.528 20 10 DHCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160148789 1011900607 /nfs/dbraw/zinc/90/06/07/1011900607.db2.gz OSXDTRSWQJQKGA-GJZGRUSLSA-N 0 1 300.402 3.528 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000840943384 1017526463 /nfs/dbraw/zinc/52/64/63/1017526463.db2.gz PPZJRFNPTRGYEG-UHFFFAOYSA-N 0 1 309.837 3.747 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766120371 1018416808 /nfs/dbraw/zinc/41/68/08/1018416808.db2.gz RSXWVIWYJJPCMD-NSHDSACASA-N 0 1 310.319 3.715 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766120371 1018416814 /nfs/dbraw/zinc/41/68/14/1018416814.db2.gz RSXWVIWYJJPCMD-NSHDSACASA-N 0 1 310.319 3.715 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000765447410 1018789800 /nfs/dbraw/zinc/78/98/00/1018789800.db2.gz BZPAXAFFKJYTAL-CQSZACIVSA-N 0 1 301.459 3.984 20 10 DHCDMN CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134922657 1019051501 /nfs/dbraw/zinc/05/15/01/1019051501.db2.gz JZYZATZCLVUPSN-RKDXNWHRSA-N 0 1 304.253 3.557 20 10 DHCDMN CS[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134937601 1019051628 /nfs/dbraw/zinc/05/16/28/1019051628.db2.gz RMUCXVHSBKEZAA-RKDXNWHRSA-N 0 1 304.253 3.557 20 10 DHCDMN CS[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134937285 1019053213 /nfs/dbraw/zinc/05/32/13/1019053213.db2.gz SSEHJMSMWCPMPV-IUCAKERBSA-N 0 1 304.253 3.557 20 10 DHCDMN Fc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000922036756 1019352386 /nfs/dbraw/zinc/35/23/86/1019352386.db2.gz SYABRFYTWJNYRJ-QGZVFWFLSA-N 0 1 313.372 3.764 20 10 DHCDMN Cc1noc(C)c1C(C)(C)NCc1ccc2c(c1)CCCO2 ZINC000922128429 1019491021 /nfs/dbraw/zinc/49/10/21/1019491021.db2.gz XPXIYLRDFFFJQL-UHFFFAOYSA-N 0 1 300.402 3.641 20 10 DHCDMN Oc1ccccc1CN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001203556517 1020093927 /nfs/dbraw/zinc/09/39/27/1020093927.db2.gz RGLXYRDXKJNSBX-MRXNPFEDSA-N 0 1 303.402 3.821 20 10 DHCDMN Cc1ccc(O)c(CNCc2nc(-c3ccncc3)cs2)c1 ZINC000733331120 1020376026 /nfs/dbraw/zinc/37/60/26/1020376026.db2.gz BVEQEBDUCZAVML-UHFFFAOYSA-N 0 1 311.410 3.509 20 10 DHCDMN C[C@H]1c2cccn2CCN1Cc1cccc(Br)c1O ZINC000179566984 1020411323 /nfs/dbraw/zinc/41/13/23/1020411323.db2.gz VYNYVOYGBFUXJQ-NSHDSACASA-N 0 1 321.218 3.533 20 10 DHCDMN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)cc1[O-] ZINC000850535779 1021071903 /nfs/dbraw/zinc/07/19/03/1021071903.db2.gz BIXGBPMSXIFOFW-UFBFGSQYSA-N 0 1 320.177 3.851 20 10 DHCDMN Cc1ccccc1O[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000742378799 1021115534 /nfs/dbraw/zinc/11/55/34/1021115534.db2.gz BHETYGGUDVACAM-CYBMUJFWSA-N 0 1 305.805 3.911 20 10 DHCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCCSCC1)CCCC3 ZINC000917462010 1021267889 /nfs/dbraw/zinc/26/78/89/1021267889.db2.gz GQGQOFVVVIWIBF-UHFFFAOYSA-N 0 1 317.454 3.956 20 10 DHCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCCSCC1)CCCC3 ZINC000917462010 1021267899 /nfs/dbraw/zinc/26/78/99/1021267899.db2.gz GQGQOFVVVIWIBF-UHFFFAOYSA-N 0 1 317.454 3.956 20 10 DHCDMN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)CO1 ZINC000743409062 1021290896 /nfs/dbraw/zinc/29/08/96/1021290896.db2.gz QYTFQLHUZICXEW-YWZLYKJASA-N 0 1 323.436 3.843 20 10 DHCDMN CCc1ncc(CNCc2cc(OC)cc(C(C)(C)C)c2O)o1 ZINC000850318440 1021472302 /nfs/dbraw/zinc/47/23/02/1021472302.db2.gz SYTJWHLWZGWZQJ-UHFFFAOYSA-N 0 1 318.417 3.539 20 10 DHCDMN COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850505618 1021565513 /nfs/dbraw/zinc/56/55/13/1021565513.db2.gz UFEYLSPPWGPCKW-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@H]([NH2+]CCc1ccoc1)c1ccc(Br)cc1[O-] ZINC000850530809 1021584215 /nfs/dbraw/zinc/58/42/15/1021584215.db2.gz DEYGKAVBMIXOAY-JTQLQIEISA-N 0 1 310.191 3.641 20 10 DHCDMN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850573089 1021617090 /nfs/dbraw/zinc/61/70/90/1021617090.db2.gz JFJUWLOJOCZFQG-FHSNZYRGSA-N 0 1 319.832 3.861 20 10 DHCDMN CC(C)[N@H+](CCCCCO)Cc1c([O-])ccc(F)c1Cl ZINC001237127646 1021712988 /nfs/dbraw/zinc/71/29/88/1021712988.db2.gz HWBQUKUOHDSTGP-UHFFFAOYSA-N 0 1 303.805 3.558 20 10 DHCDMN CC(C)[N@@H+](CCCCCO)Cc1c([O-])ccc(F)c1Cl ZINC001237127646 1021713004 /nfs/dbraw/zinc/71/30/04/1021713004.db2.gz HWBQUKUOHDSTGP-UHFFFAOYSA-N 0 1 303.805 3.558 20 10 DHCDMN CCc1cc(CN2CCO[C@H](CC)C2)c(O)c(C(C)(C)C)c1 ZINC000919939928 1021978418 /nfs/dbraw/zinc/97/84/18/1021978418.db2.gz KPMOQGNHUUYEOJ-MRXNPFEDSA-N 0 1 305.462 3.863 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000919954224 1021984275 /nfs/dbraw/zinc/98/42/75/1021984275.db2.gz NTRACXYFPYOXNM-SFHVURJKSA-N 0 1 305.381 3.673 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000919954224 1021984286 /nfs/dbraw/zinc/98/42/86/1021984286.db2.gz NTRACXYFPYOXNM-SFHVURJKSA-N 0 1 305.381 3.673 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824985 1033476370 /nfs/dbraw/zinc/47/63/70/1033476370.db2.gz WAMJWXRBTODBDI-JOYOIKCWSA-N 0 1 323.742 3.587 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854473553 1022477596 /nfs/dbraw/zinc/47/75/96/1022477596.db2.gz BCIOAEUMEQBUGH-XXILOJSOSA-N 0 1 314.212 3.751 20 10 DHCDMN Cc1cccc(CN(C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000179617932 1022493370 /nfs/dbraw/zinc/49/33/70/1022493370.db2.gz JNXZBQUPTLOKFK-UHFFFAOYSA-N 0 1 307.397 3.518 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776770570 1022558259 /nfs/dbraw/zinc/55/82/59/1022558259.db2.gz BGGCYJWGYDUDCT-LJQANCHMSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776770570 1022558269 /nfs/dbraw/zinc/55/82/69/1022558269.db2.gz BGGCYJWGYDUDCT-LJQANCHMSA-N 0 1 311.425 3.936 20 10 DHCDMN CCCCCn1cc(CNCc2ccc3c(c2)CCO3)c(C)n1 ZINC000767427689 1022715987 /nfs/dbraw/zinc/71/59/87/1022715987.db2.gz VRXTUAHEVLNFEC-UHFFFAOYSA-N 0 1 313.445 3.606 20 10 DHCDMN Oc1ccccc1CN(Cc1ccc(Cl)o1)C[C@H]1CCCO1 ZINC000768162559 1022906806 /nfs/dbraw/zinc/90/68/06/1022906806.db2.gz QDIOEFAUXPXDAR-CQSZACIVSA-N 0 1 321.804 3.820 20 10 DHCDMN COCCN(Cc1cccs1)Cc1ccc(N(C)C)c(F)c1 ZINC000768196759 1022923888 /nfs/dbraw/zinc/92/38/88/1022923888.db2.gz GUQHMNDFTZEVTB-UHFFFAOYSA-N 0 1 322.449 3.602 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000768197398 1022925364 /nfs/dbraw/zinc/92/53/64/1022925364.db2.gz JWNUPODZXKPFEN-UHFFFAOYSA-N 0 1 314.477 3.679 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000769102996 1023092223 /nfs/dbraw/zinc/09/22/23/1023092223.db2.gz RNSFRKPJWHFSKN-OXQOHEQNSA-N 0 1 310.441 3.715 20 10 DHCDMN C[C@@H]1[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451807 1023155769 /nfs/dbraw/zinc/15/57/69/1023155769.db2.gz OHBLEJLGSYDMRN-INIZCTEOSA-N 0 1 302.462 3.676 20 10 DHCDMN C[C@@H]1N(Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451807 1023155772 /nfs/dbraw/zinc/15/57/72/1023155772.db2.gz OHBLEJLGSYDMRN-INIZCTEOSA-N 0 1 302.462 3.676 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)c2c1c(F)ccc2[O-] ZINC000756624950 1023232628 /nfs/dbraw/zinc/23/26/28/1023232628.db2.gz HZAPTQOGTKCMSP-JSGCOSHPSA-N 0 1 307.409 3.612 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](CCO)C1CCCCC1 ZINC000771934012 1023489444 /nfs/dbraw/zinc/48/94/44/1023489444.db2.gz RKPNNCDMVGYZJY-UHFFFAOYSA-N 0 1 318.244 3.826 20 10 DHCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000785990026 1023648950 /nfs/dbraw/zinc/64/89/50/1023648950.db2.gz YBSBMAYPWJNAMC-GPCCPHFNSA-N 0 1 318.244 3.680 20 10 DHCDMN CC1(C)CC[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000788379448 1023879276 /nfs/dbraw/zinc/87/92/76/1023879276.db2.gz YPNPFRQCFPCXKF-UHFFFAOYSA-N 0 1 302.443 3.658 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000788379448 1023879284 /nfs/dbraw/zinc/87/92/84/1023879284.db2.gz YPNPFRQCFPCXKF-UHFFFAOYSA-N 0 1 302.443 3.658 20 10 DHCDMN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788499924 1023894977 /nfs/dbraw/zinc/89/49/77/1023894977.db2.gz XCZWVPPRYDBSON-LLVKDONJSA-N 0 1 318.383 3.649 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cn2ccccc2n1 ZINC000788525858 1023905590 /nfs/dbraw/zinc/90/55/90/1023905590.db2.gz NPTFYDLDSARSLJ-INIZCTEOSA-N 0 1 320.440 3.785 20 10 DHCDMN CN(C)c1ccc(CNCc2cc(F)c(Cl)cc2F)cc1 ZINC000788532134 1023907260 /nfs/dbraw/zinc/90/72/60/1023907260.db2.gz LCGXAINBYLBEJR-UHFFFAOYSA-N 0 1 310.775 3.974 20 10 DHCDMN C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788979433 1023969508 /nfs/dbraw/zinc/96/95/08/1023969508.db2.gz GOMXCQNIEXJWNP-LLVKDONJSA-N 0 1 322.311 3.743 20 10 DHCDMN Oc1cc2c(cc1O)C[N@@H+](Cc1cccc3cccnc31)CCC2 ZINC001137178140 1024039631 /nfs/dbraw/zinc/03/96/31/1024039631.db2.gz VTQUMZFDIRGABS-UHFFFAOYSA-N 0 1 320.392 3.594 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccc(COC)o2)cc1 ZINC000268825254 1024172396 /nfs/dbraw/zinc/17/23/96/1024172396.db2.gz YPYAELJEDNFMNA-UHFFFAOYSA-N 0 1 302.418 3.562 20 10 DHCDMN Cc1ccc(O)c(CN(C)Cc2ccc(Br)o2)c1 ZINC000130701397 1024203679 /nfs/dbraw/zinc/20/36/79/1024203679.db2.gz ATOKZSSGHZIVTG-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000883319874 1024374452 /nfs/dbraw/zinc/37/44/52/1024374452.db2.gz SZLTVMQHAXXTCO-SCDSUCTJSA-N 0 1 317.351 3.877 20 10 DHCDMN CCOc1cccc(CN[C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883383298 1024417090 /nfs/dbraw/zinc/41/70/90/1024417090.db2.gz WMVZAGVPXNBWSC-SJLPKXTDSA-N 0 1 315.388 3.906 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000132654662 1024494107 /nfs/dbraw/zinc/49/41/07/1024494107.db2.gz XYWZVBOWMZHCDL-LBPRGKRZSA-N 0 1 304.217 3.700 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000792174901 1024640570 /nfs/dbraw/zinc/64/05/70/1024640570.db2.gz MNWVGLZXYVAWPC-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN CS[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173449 1024642084 /nfs/dbraw/zinc/64/20/84/1024642084.db2.gz WQAJVHTWTYTWOX-SNVBAGLBSA-N 0 1 303.830 3.902 20 10 DHCDMN CC(C)N(Cc1ccnn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000792788420 1024792391 /nfs/dbraw/zinc/79/23/91/1024792391.db2.gz FCTBBQHPLBFTOH-UHFFFAOYSA-N 0 1 314.477 3.941 20 10 DHCDMN CCOc1ccc(O)c(CNC(C)(C)c2nc(C)cs2)c1 ZINC000116383061 1024859573 /nfs/dbraw/zinc/85/95/73/1024859573.db2.gz VWTUZNGNTJDMHU-UHFFFAOYSA-N 0 1 306.431 3.581 20 10 DHCDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000134787534 1033244430 /nfs/dbraw/zinc/24/44/30/1033244430.db2.gz ANEFTEXOMBKMCO-LPGAHRBXSA-N 0 1 307.821 3.654 20 10 DHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793340570 1024983488 /nfs/dbraw/zinc/98/34/88/1024983488.db2.gz QRSCYCTXHMYHDI-OAHLLOKOSA-N 0 1 301.789 3.576 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000793610758 1025129086 /nfs/dbraw/zinc/12/90/86/1025129086.db2.gz XYHXIAOPGGHPNR-CYBMUJFWSA-N 0 1 318.244 3.826 20 10 DHCDMN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000318995240 1025129148 /nfs/dbraw/zinc/12/91/48/1025129148.db2.gz NMSXKSWJEMIZKW-GJZGRUSLSA-N 0 1 300.446 3.926 20 10 DHCDMN COc1ccc(N(Cc2n[nH]c(C(C)C)n2)[C@@H](C)C2CC2)cc1 ZINC000794411041 1025260557 /nfs/dbraw/zinc/26/05/57/1025260557.db2.gz JFXMXCMRXXOXIE-ZDUSSCGKSA-N 0 1 314.433 3.742 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135821383 1025287769 /nfs/dbraw/zinc/28/77/69/1025287769.db2.gz CSNBQRUUIOBHKJ-SNVBAGLBSA-N 0 1 315.866 3.822 20 10 DHCDMN Cc1ccc(CNCc2nc3ccccc3n2C2CC2)c(O)c1 ZINC000877350860 1033286384 /nfs/dbraw/zinc/28/63/84/1033286384.db2.gz OVEQLPDLZLKBPE-UHFFFAOYSA-N 0 1 307.397 3.675 20 10 DHCDMN Cc1cc(CNCc2[nH]nc(C)c2C)c(C)n1-c1ccccc1 ZINC000886171382 1025544737 /nfs/dbraw/zinc/54/47/37/1025544737.db2.gz GEBBNQJYXNANQY-UHFFFAOYSA-N 0 1 308.429 3.724 20 10 DHCDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(F)cc(F)c1[O-])CCC2 ZINC000894021273 1025654290 /nfs/dbraw/zinc/65/42/90/1025654290.db2.gz QUPRQCNMZMOARX-AWEZNQCLSA-N 0 1 324.396 3.945 20 10 DHCDMN CC[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000076118453 1025862586 /nfs/dbraw/zinc/86/25/86/1025862586.db2.gz LVWUCQDECBKFFQ-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000076118453 1025862612 /nfs/dbraw/zinc/86/26/12/1025862612.db2.gz LVWUCQDECBKFFQ-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC=CCC1 ZINC000807836670 1026129358 /nfs/dbraw/zinc/12/93/58/1026129358.db2.gz JQCRSYZBKSONNX-VIFPVBQESA-N 0 1 300.185 3.672 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC12CCC2 ZINC000807838549 1026131331 /nfs/dbraw/zinc/13/13/31/1026131331.db2.gz WTUGFDILPKPQKD-SNVBAGLBSA-N 0 1 300.185 3.505 20 10 DHCDMN C[C@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839156 1026131655 /nfs/dbraw/zinc/13/16/55/1026131655.db2.gz XZNKNGLONIUOQQ-DTWKUNHWSA-N 0 1 302.201 3.751 20 10 DHCDMN CSCC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839458 1026132293 /nfs/dbraw/zinc/13/22/93/1026132293.db2.gz DVBFSGXHDSGRMX-UHFFFAOYSA-N 0 1 322.257 3.704 20 10 DHCDMN CCN(CC)c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693382 1026584524 /nfs/dbraw/zinc/58/45/24/1026584524.db2.gz UWRLTZLXEIBUCL-IBGZPJMESA-N 0 1 312.461 3.983 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000809693352 1026585594 /nfs/dbraw/zinc/58/55/94/1026585594.db2.gz UHCZCERKEOSDOG-ZDUSSCGKSA-N 0 1 309.772 3.635 20 10 DHCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809767434 1026605415 /nfs/dbraw/zinc/60/54/15/1026605415.db2.gz KVMHFGANOPYECF-GFCCVEGCSA-N 0 1 306.233 3.538 20 10 DHCDMN CC[C@@H](NCc1nncn1-c1ccccc1)c1ccc(C)cc1O ZINC000280223050 1026616009 /nfs/dbraw/zinc/61/60/09/1026616009.db2.gz UXSVOGZSBSSTFY-QGZVFWFLSA-N 0 1 322.412 3.522 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000809787143 1026625991 /nfs/dbraw/zinc/62/59/91/1026625991.db2.gz UUWBMWZABPVXCE-GFCCVEGCSA-N 0 1 310.235 3.777 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213535 1026707044 /nfs/dbraw/zinc/70/70/44/1026707044.db2.gz USEMPLHMTOFFLS-TZMCWYRMSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214724 1026709748 /nfs/dbraw/zinc/70/97/48/1026709748.db2.gz HIGFQXWJSGZYKM-ZWNOBZJWSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228161 1026712766 /nfs/dbraw/zinc/71/27/66/1026712766.db2.gz COXLTDUHAHRKPC-RISCZKNCSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224881 1026713753 /nfs/dbraw/zinc/71/37/53/1026713753.db2.gz ZNPKOUWDAWOAED-WCQYABFASA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234518 1026716621 /nfs/dbraw/zinc/71/66/21/1026716621.db2.gz FHGJQSLTNDPWBZ-KWBADKCTSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Br)ccc1[O-] ZINC000810257996 1026732165 /nfs/dbraw/zinc/73/21/65/1026732165.db2.gz XTXSCODHXKHDBW-NRUUGDAUSA-N 0 1 316.239 3.619 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C1CC1 ZINC000811513326 1027029175 /nfs/dbraw/zinc/02/91/75/1027029175.db2.gz GFWODFALIXUWDV-AWEZNQCLSA-N 0 1 310.235 3.775 20 10 DHCDMN CC1(C)C[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C1CC1 ZINC000811513326 1027029168 /nfs/dbraw/zinc/02/91/68/1027029168.db2.gz GFWODFALIXUWDV-AWEZNQCLSA-N 0 1 310.235 3.775 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cncs2)cc1F ZINC000158702412 1027615998 /nfs/dbraw/zinc/61/59/98/1027615998.db2.gz DQMUOIQRPCNEKV-LBPRGKRZSA-N 0 1 307.438 3.979 20 10 DHCDMN CC(C)(C)/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684420 1027695527 /nfs/dbraw/zinc/69/55/27/1027695527.db2.gz QJJRUIKPDZGNSV-PLNGDYQASA-N 0 1 302.201 3.918 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877922 1027746835 /nfs/dbraw/zinc/74/68/35/1027746835.db2.gz HLSVTFHMEXZZMH-GWCFXTLKSA-N 0 1 319.276 3.937 20 10 DHCDMN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C[C@@H]21 ZINC001170729838 1027912081 /nfs/dbraw/zinc/91/20/81/1027912081.db2.gz HDTRHULIRVYTEF-CLLJXQQHSA-N 0 1 310.235 3.679 20 10 DHCDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]1C2(F)F ZINC000814170297 1027926239 /nfs/dbraw/zinc/92/62/39/1027926239.db2.gz UTZVINIUPMIAML-WCQYABFASA-N 0 1 305.727 3.662 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365623102 1027987714 /nfs/dbraw/zinc/98/77/14/1027987714.db2.gz PQZXSOBAFFXADT-BPQIPLTHSA-N 0 1 301.430 3.877 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000367308752 1028164432 /nfs/dbraw/zinc/16/44/32/1028164432.db2.gz QXVCVRHUSAFPKB-YWTNHNAXSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000367308752 1028164434 /nfs/dbraw/zinc/16/44/34/1028164434.db2.gz QXVCVRHUSAFPKB-YWTNHNAXSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000367308752 1028164438 /nfs/dbraw/zinc/16/44/38/1028164438.db2.gz QXVCVRHUSAFPKB-YWTNHNAXSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376827 1028175249 /nfs/dbraw/zinc/17/52/49/1028175249.db2.gz DEERMQLXGBADIW-VQIMIIECSA-N 0 1 319.445 3.503 20 10 DHCDMN CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220051 1028258138 /nfs/dbraw/zinc/25/81/38/1028258138.db2.gz ZXUCXLKDPOYSAC-YPMHNXCESA-N 0 1 305.340 3.877 20 10 DHCDMN COCCN(Cc1ccc(C)o1)Cc1ccc(N(C)C)c(C)c1 ZINC000815061320 1028346674 /nfs/dbraw/zinc/34/66/74/1028346674.db2.gz QJNUVTPXTXHCBT-UHFFFAOYSA-N 0 1 316.445 3.611 20 10 DHCDMN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1c(C)noc1C ZINC000815089517 1028358655 /nfs/dbraw/zinc/35/86/55/1028358655.db2.gz QGIVNAFFEYSAHB-INIZCTEOSA-N 0 1 301.434 3.907 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cc(OC)ccc2F)cc1 ZINC000815115528 1028361140 /nfs/dbraw/zinc/36/11/40/1028361140.db2.gz ICTJEDCUVPAVAW-UHFFFAOYSA-N 0 1 316.420 3.970 20 10 DHCDMN CCN(C)c1ccc(CNC(C)(C)c2c(C)noc2C)cc1 ZINC000815116943 1028362601 /nfs/dbraw/zinc/36/26/01/1028362601.db2.gz HJYKEAFQEZIFQA-UHFFFAOYSA-N 0 1 301.434 3.772 20 10 DHCDMN COc1ccc(F)c(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000815122529 1028368046 /nfs/dbraw/zinc/36/80/46/1028368046.db2.gz MZPZVFSRCUOOJM-UHFFFAOYSA-N 0 1 314.404 3.507 20 10 DHCDMN [O-]c1cccc(C[NH2+]CCCSc2nccs2)c1Cl ZINC000815124699 1028370887 /nfs/dbraw/zinc/37/08/87/1028370887.db2.gz IHTIANLHZINFKZ-UHFFFAOYSA-N 0 1 314.863 3.774 20 10 DHCDMN Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])CC3 ZINC000779164881 1028561753 /nfs/dbraw/zinc/56/17/53/1028561753.db2.gz APGVXFXFHASGCY-OAHLLOKOSA-N 0 1 324.399 3.968 20 10 DHCDMN Cc1ccnc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000371889119 1028773565 /nfs/dbraw/zinc/77/35/65/1028773565.db2.gz VKRZSHXVMHTBPT-UHFFFAOYSA-N 0 1 317.820 3.524 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000816487377 1028892232 /nfs/dbraw/zinc/89/22/32/1028892232.db2.gz LCFASNCEMOCGHN-HNNXBMFYSA-N 0 1 306.768 3.917 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC000816484109 1028892638 /nfs/dbraw/zinc/89/26/38/1028892638.db2.gz PVOQXOXXVKLNFN-KRWDZBQOSA-N 0 1 321.779 3.758 20 10 DHCDMN Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816494402 1028899950 /nfs/dbraw/zinc/89/99/50/1028899950.db2.gz JWQQYALKTMEKDE-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816494402 1028899956 /nfs/dbraw/zinc/89/99/56/1028899956.db2.gz JWQQYALKTMEKDE-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2ccc3c(c2)CCO3)ccc2ccccc21 ZINC000816545566 1028930864 /nfs/dbraw/zinc/93/08/64/1028930864.db2.gz WHPJXPIQDOKTQD-UHFFFAOYSA-N 0 1 305.377 3.770 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816520546 1028933918 /nfs/dbraw/zinc/93/39/18/1028933918.db2.gz RRIGULSSEFEWLS-OAHLLOKOSA-N 0 1 323.799 3.564 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2COc3ccccc3C2)ccc2ccccc21 ZINC000816528034 1028935728 /nfs/dbraw/zinc/93/57/28/1028935728.db2.gz JPRUDYFQKWTJII-HNNXBMFYSA-N 0 1 319.404 3.886 20 10 DHCDMN CN(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816561320 1028944005 /nfs/dbraw/zinc/94/40/05/1028944005.db2.gz SSLKGOARCUNRMR-HXUWFJFHSA-N 0 1 320.436 3.938 20 10 DHCDMN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559597 1028944788 /nfs/dbraw/zinc/94/47/88/1028944788.db2.gz OVOGLOVYTTTXOA-SFHVURJKSA-N 0 1 301.430 3.678 20 10 DHCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816560436 1028945072 /nfs/dbraw/zinc/94/50/72/1028945072.db2.gz OYDZUZWKHIPSQV-QZTJIDSGSA-N 0 1 313.441 3.774 20 10 DHCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816560436 1028945083 /nfs/dbraw/zinc/94/50/83/1028945083.db2.gz OYDZUZWKHIPSQV-QZTJIDSGSA-N 0 1 313.441 3.774 20 10 DHCDMN COc1cc(F)cc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816558936 1028946348 /nfs/dbraw/zinc/94/63/48/1028946348.db2.gz RBZIUCHPOPZKIL-UHFFFAOYSA-N 0 1 311.356 3.983 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000816574909 1028951711 /nfs/dbraw/zinc/95/17/11/1028951711.db2.gz WJMNMDUQIZLULA-ZDUSSCGKSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2COc3ccccc32)ccc2ccccc21 ZINC000816613616 1028964468 /nfs/dbraw/zinc/96/44/68/1028964468.db2.gz ZZBOXPJXWHEEKG-MRXNPFEDSA-N 0 1 305.377 3.811 20 10 DHCDMN Oc1c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666937 1028984751 /nfs/dbraw/zinc/98/47/51/1028984751.db2.gz YKYZDAGNNXTWQE-UXHICEINSA-N 0 1 309.409 3.689 20 10 DHCDMN O=C(Nc1cccc(N2CCCC2)c1)c1cc2[nH]cnc2cc1F ZINC000816890375 1029030251 /nfs/dbraw/zinc/03/02/51/1029030251.db2.gz ILGJRISUODRYLT-UHFFFAOYSA-N 0 1 324.359 3.555 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@](C)(O)c1ccccc1 ZINC000822516581 1030054396 /nfs/dbraw/zinc/05/43/96/1030054396.db2.gz MSHSMNVSULQLRC-QGZVFWFLSA-N 0 1 323.795 3.524 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924575310 1030127210 /nfs/dbraw/zinc/12/72/10/1030127210.db2.gz UQDDZTADKHSQOI-KRWDZBQOSA-N 0 1 315.848 3.968 20 10 DHCDMN Cc1cccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245951914 1030212411 /nfs/dbraw/zinc/21/24/11/1030212411.db2.gz XFHAZDSCKUFOEO-XJKSGUPXSA-N 0 1 303.427 3.724 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000291038287 1030303752 /nfs/dbraw/zinc/30/37/52/1030303752.db2.gz YXZJLHVQCCMWLH-HZPDHXFCSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000291038287 1030303767 /nfs/dbraw/zinc/30/37/67/1030303767.db2.gz YXZJLHVQCCMWLH-HZPDHXFCSA-N 0 1 307.821 3.579 20 10 DHCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])o1 ZINC000866477978 1030313194 /nfs/dbraw/zinc/31/31/94/1030313194.db2.gz HERSKTVOQKEUHG-SNVBAGLBSA-N 0 1 310.191 3.907 20 10 DHCDMN Cc1ccc([C@@H](C)NCc2nn(C)cc2C(F)F)c(O)c1C ZINC000866565794 1030377231 /nfs/dbraw/zinc/37/72/31/1030377231.db2.gz RATRQVYIVPXJNP-LLVKDONJSA-N 0 1 309.360 3.531 20 10 DHCDMN CC1CCN(c2ccc(CNCc3ccncc3F)cc2)CC1 ZINC000823837179 1030408946 /nfs/dbraw/zinc/40/89/46/1030408946.db2.gz RBUWKGGRPINBCW-UHFFFAOYSA-N 0 1 313.420 3.747 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634949 1030415659 /nfs/dbraw/zinc/41/56/59/1030415659.db2.gz WDALFBQHPBMXFT-ZIAGYGMSSA-N 0 1 305.809 3.818 20 10 DHCDMN COc1cccc(CN(C)Cc2cc(Cl)ccc2OC)c1O ZINC000121218339 1030438630 /nfs/dbraw/zinc/43/86/30/1030438630.db2.gz IIVLTORTFRAEAE-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000824779931 1030636089 /nfs/dbraw/zinc/63/60/89/1030636089.db2.gz YWIKOOFYHFYNHV-LBPRGKRZSA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000824779931 1030636099 /nfs/dbraw/zinc/63/60/99/1030636099.db2.gz YWIKOOFYHFYNHV-LBPRGKRZSA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914139 1030663349 /nfs/dbraw/zinc/66/33/49/1030663349.db2.gz MZAZHDJBYROFEC-CYBMUJFWSA-N 0 1 301.814 3.512 20 10 DHCDMN COc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000122419590 1030699619 /nfs/dbraw/zinc/69/96/19/1030699619.db2.gz AGEYOPYYNHTMBJ-LBPRGKRZSA-N 0 1 320.383 3.890 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000825045144 1030708207 /nfs/dbraw/zinc/70/82/07/1030708207.db2.gz CANISOKVNFUACD-MRXNPFEDSA-N 0 1 321.779 3.758 20 10 DHCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(Cl)c1 ZINC001136997688 1030744874 /nfs/dbraw/zinc/74/48/74/1030744874.db2.gz KLAQQKPPAAUGLI-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cncc(Cl)c1 ZINC001136997688 1030744889 /nfs/dbraw/zinc/74/48/89/1030744889.db2.gz KLAQQKPPAAUGLI-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000825279865 1030765849 /nfs/dbraw/zinc/76/58/49/1030765849.db2.gz ZAJMCTXTESMTOL-GUYCJALGSA-N 0 1 319.832 3.608 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000321935876 1030985109 /nfs/dbraw/zinc/98/51/09/1030985109.db2.gz WCKBWWYCINPOFG-QGZVFWFLSA-N 0 1 310.441 3.606 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2cc(C3CC3)n(C)n2)c1O ZINC000927108147 1031095919 /nfs/dbraw/zinc/09/59/19/1031095919.db2.gz ODDOHRHKQIKGLK-LLVKDONJSA-N 0 1 319.836 3.816 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001308817602 1031342852 /nfs/dbraw/zinc/34/28/52/1031342852.db2.gz HJQLVWSKOWTIQK-LBPRGKRZSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001308817602 1031342869 /nfs/dbraw/zinc/34/28/69/1031342869.db2.gz HJQLVWSKOWTIQK-LBPRGKRZSA-N 0 1 310.235 3.777 20 10 DHCDMN C[N@@H+](Cc1ccccc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299153 1031439641 /nfs/dbraw/zinc/43/96/41/1031439641.db2.gz QLEDYAZFPRITHJ-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN C[N@@H+](CCC1CC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144306781 1031456835 /nfs/dbraw/zinc/45/68/35/1031456835.db2.gz QCYNYWJGOUOPHF-UHFFFAOYSA-N 0 1 302.187 3.526 20 10 DHCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929974848 1031666019 /nfs/dbraw/zinc/66/60/19/1031666019.db2.gz BVPCYTCXSQZKLA-NVXWUHKLSA-N 0 1 303.352 3.873 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2c(F)cc(C)cc2F)c1 ZINC000845971160 1031788490 /nfs/dbraw/zinc/78/84/90/1031788490.db2.gz HOGDFXGAMYYOPQ-NSHDSACASA-N 0 1 307.340 3.838 20 10 DHCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000845970907 1031788939 /nfs/dbraw/zinc/78/89/39/1031788939.db2.gz FQWGFYOFTCQENU-NSHDSACASA-N 0 1 321.804 3.919 20 10 DHCDMN C[C@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@H]1C2(F)F ZINC000294085471 1031791107 /nfs/dbraw/zinc/79/11/07/1031791107.db2.gz ZDYDFRMQIDTAQY-OLZOCXBDSA-N 0 1 305.727 3.662 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105638 1031877997 /nfs/dbraw/zinc/87/79/97/1031877997.db2.gz XIYDDIBMLJERMR-CYBMUJFWSA-N 0 1 305.727 3.806 20 10 DHCDMN COc1cccc([C@@H](C)NC2(c3nc(C)cs3)CCC2)c1O ZINC000846165485 1031893828 /nfs/dbraw/zinc/89/38/28/1031893828.db2.gz ZNEHLUNAAPVLLQ-GFCCVEGCSA-N 0 1 318.442 3.896 20 10 DHCDMN CCCc1nc(C)c(CN[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846171077 1031896653 /nfs/dbraw/zinc/89/66/53/1031896653.db2.gz QZEWGDQFIHMQNR-NSHDSACASA-N 0 1 304.390 3.501 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000846185539 1031919819 /nfs/dbraw/zinc/91/98/19/1031919819.db2.gz APTYROHJTRQKER-LXIYXOSZSA-N 0 1 319.832 3.992 20 10 DHCDMN C[NH+](C)Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294389053 1031972476 /nfs/dbraw/zinc/97/24/76/1031972476.db2.gz VHWDEAAWKNRVBM-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612018 1033382863 /nfs/dbraw/zinc/38/28/63/1033382863.db2.gz AWMCSJPHKWNKNW-PRWKNARSSA-N 0 1 319.769 3.858 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672634 1033404472 /nfs/dbraw/zinc/40/44/72/1033404472.db2.gz JJHQAHQZMAHUGM-NVXWUHKLSA-N 0 1 317.816 3.744 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1Cl ZINC000877727581 1033423361 /nfs/dbraw/zinc/42/33/61/1033423361.db2.gz CDFHMYKTTJAACS-AWEZNQCLSA-N 0 1 309.837 3.650 20 10 DHCDMN Cc1csc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000877813632 1033462248 /nfs/dbraw/zinc/46/22/48/1033462248.db2.gz MZLCEZHQAXMHOH-GFCCVEGCSA-N 0 1 308.834 3.800 20 10 DHCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173138778 1033567714 /nfs/dbraw/zinc/56/77/14/1033567714.db2.gz DGAJZQDUSOLIGK-OAHLLOKOSA-N 0 1 310.422 3.649 20 10 DHCDMN COC(=O)CCCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173439951 1033727271 /nfs/dbraw/zinc/72/72/71/1033727271.db2.gz CDBOYQLKIVZCDC-CQSZACIVSA-N 0 1 315.413 3.757 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473487 1033862320 /nfs/dbraw/zinc/86/23/20/1033862320.db2.gz SEVCZQAMVPJIPN-ZJUUUORDSA-N 0 1 301.814 3.655 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862540373 1033877967 /nfs/dbraw/zinc/87/79/67/1033877967.db2.gz DNDDTBWAEIITAL-CYBMUJFWSA-N 0 1 303.789 3.741 20 10 DHCDMN CCOc1ccc(O)c(CNC(C)(C)c2ncc(C)s2)c1 ZINC000175980769 1034061317 /nfs/dbraw/zinc/06/13/17/1034061317.db2.gz HQOVFOLPVCTNTH-UHFFFAOYSA-N 0 1 306.431 3.581 20 10 DHCDMN Cc1cc(CN[C@H](C)c2nccnc2C)ccc1N1CCCCC1 ZINC000880109304 1034215771 /nfs/dbraw/zinc/21/57/71/1034215771.db2.gz VXYONPQQRCMDTK-QGZVFWFLSA-N 0 1 324.472 3.935 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2nccnc2C)ccc1N1CCCCC1 ZINC000880109303 1034216050 /nfs/dbraw/zinc/21/60/50/1034216050.db2.gz VXYONPQQRCMDTK-KRWDZBQOSA-N 0 1 324.472 3.935 20 10 DHCDMN CC1(C)Oc2ccc(NCc3ccc(F)c(F)c3O)cc2O1 ZINC000864025957 1034263307 /nfs/dbraw/zinc/26/33/07/1034263307.db2.gz XGTIBFLFTIQNNB-UHFFFAOYSA-N 0 1 307.296 3.790 20 10 DHCDMN Cc1cc(N(C)C)cc(C)c1NCc1ccc(F)c(F)c1O ZINC000864034078 1034266548 /nfs/dbraw/zinc/26/65/48/1034266548.db2.gz UMOBKKOSSBHMRC-UHFFFAOYSA-N 0 1 306.356 3.965 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663710 1034321324 /nfs/dbraw/zinc/32/13/24/1034321324.db2.gz VDFDRAFSPCZBRD-IINYFYTJSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663710 1034321330 /nfs/dbraw/zinc/32/13/30/1034321330.db2.gz VDFDRAFSPCZBRD-IINYFYTJSA-N 0 1 310.319 3.713 20 10 DHCDMN COc1ccc(N2CCN(Cc3cc(C)cs3)CC2)c(C)c1 ZINC001137159769 1034449153 /nfs/dbraw/zinc/44/91/53/1034449153.db2.gz LBIVDVKVANWNCK-UHFFFAOYSA-N 0 1 316.470 3.696 20 10 DHCDMN CCOCCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185071614 1034525277 /nfs/dbraw/zinc/52/52/77/1034525277.db2.gz CHQQKFPIKHHXJW-LLVKDONJSA-N 0 1 316.239 3.622 20 10 DHCDMN C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185119548 1034530099 /nfs/dbraw/zinc/53/00/99/1034530099.db2.gz ZJWDPYREIOLPGY-VXGBXAGGSA-N 0 1 305.805 3.950 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000185669910 1034564770 /nfs/dbraw/zinc/56/47/70/1034564770.db2.gz KZVFGLQKWAOGKC-GXSJLCMTSA-N 0 1 303.880 3.545 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211486813 1034570365 /nfs/dbraw/zinc/57/03/65/1034570365.db2.gz BOZPLQMWOGUUFR-FZMZJTMJSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000211486813 1034570373 /nfs/dbraw/zinc/57/03/73/1034570373.db2.gz BOZPLQMWOGUUFR-FZMZJTMJSA-N 0 1 310.235 3.919 20 10 DHCDMN COc1ccc(O)c([C@H](C)NC2(c3ccccc3F)CC2)c1 ZINC000186322506 1034618696 /nfs/dbraw/zinc/61/86/96/1034618696.db2.gz XXXFQEUHKZESLE-LBPRGKRZSA-N 0 1 301.361 3.880 20 10 DHCDMN C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1O ZINC000187871885 1034737263 /nfs/dbraw/zinc/73/72/63/1034737263.db2.gz ITKDISCVXPWZGX-LLVKDONJSA-N 0 1 319.355 3.839 20 10 DHCDMN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)cnc1Cl ZINC001177553836 1035376508 /nfs/dbraw/zinc/37/65/08/1035376508.db2.gz ALQNMWBBUOOCBC-UHFFFAOYSA-N 0 1 307.800 3.538 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H](C)c2c(F)cccc2F)c1 ZINC000905006662 1035475411 /nfs/dbraw/zinc/47/54/11/1035475411.db2.gz QLJVQNNPEYRILP-LLVKDONJSA-N 0 1 307.340 3.920 20 10 DHCDMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042986 1035571197 /nfs/dbraw/zinc/57/11/97/1035571197.db2.gz NQJIOXOWLZKFFU-CPUCHLNUSA-N 0 1 322.880 3.883 20 10 DHCDMN C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cc(F)c(F)cc1[O-] ZINC001180092218 1035577356 /nfs/dbraw/zinc/57/73/56/1035577356.db2.gz KPJMKSMVNLJZKO-UHFFFAOYSA-N 0 1 302.324 3.784 20 10 DHCDMN CC[C@H](NCc1ccc(N(C)CC)cc1)c1c(C)noc1C ZINC000773838858 1035599005 /nfs/dbraw/zinc/59/90/05/1035599005.db2.gz NKPFVUILRJQREW-KRWDZBQOSA-N 0 1 301.434 3.988 20 10 DHCDMN CC(=O)c1cccc(NC(=O)c2cc(O)c(O)c(Cl)c2)c1C ZINC001193625521 1035681067 /nfs/dbraw/zinc/68/10/67/1035681067.db2.gz PCFZZQQVOLVDJG-UHFFFAOYSA-N 0 1 319.744 3.515 20 10 DHCDMN Cc1cccc(CN2CCN(c3ccccc3Cl)CC2)c1O ZINC000775639334 1036141831 /nfs/dbraw/zinc/14/18/31/1036141831.db2.gz UFNUOYAVFQXTEV-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001182574068 1036391155 /nfs/dbraw/zinc/39/11/55/1036391155.db2.gz JVAXQWLOUHRAGD-AWEZNQCLSA-N 0 1 321.779 3.838 20 10 DHCDMN C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775740450 1036598010 /nfs/dbraw/zinc/59/80/10/1036598010.db2.gz LTVQDFYTVPCOLL-YVEFUNNKSA-N 0 1 317.816 3.870 20 10 DHCDMN CC(C)(C)C[NH+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC(C)(C)C ZINC000774641886 1036608670 /nfs/dbraw/zinc/60/86/70/1036608670.db2.gz HMOBHQITCULHDR-MRXNPFEDSA-N 0 1 321.461 3.712 20 10 DHCDMN Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001183971259 1036722290 /nfs/dbraw/zinc/72/22/90/1036722290.db2.gz FXYGHAOFCXREKO-LBPRGKRZSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001183971259 1036722298 /nfs/dbraw/zinc/72/22/98/1036722298.db2.gz FXYGHAOFCXREKO-LBPRGKRZSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001184278868 1036799867 /nfs/dbraw/zinc/79/98/67/1036799867.db2.gz WSPUXEQXQSFBOB-TXEJJXNPSA-N 0 1 310.235 3.695 20 10 DHCDMN C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235300393 1036976503 /nfs/dbraw/zinc/97/65/03/1036976503.db2.gz YHZCSRLYBXSQGX-VIFPVBQESA-N 0 1 302.187 3.668 20 10 DHCDMN Clc1cscc1CNCc1ccc(N2CCOCC2)cc1 ZINC000776041510 1037383735 /nfs/dbraw/zinc/38/37/35/1037383735.db2.gz KSWKSEXPSYDZGB-UHFFFAOYSA-N 0 1 322.861 3.528 20 10 DHCDMN CN(C)c1ccc(CNC2(c3cccc(F)c3)CC2)cc1F ZINC000152870053 1037625430 /nfs/dbraw/zinc/62/54/30/1037625430.db2.gz FIHBCAQATCWAEV-UHFFFAOYSA-N 0 1 302.368 3.810 20 10 DHCDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000775130565 1037655647 /nfs/dbraw/zinc/65/56/47/1037655647.db2.gz LYFSTHLOKHVEGA-SNVBAGLBSA-N 0 1 306.749 3.805 20 10 DHCDMN Cc1ccc(-c2nc(CNCc3cccc(C)c3O)co2)cc1 ZINC000776221546 1037924698 /nfs/dbraw/zinc/92/46/98/1037924698.db2.gz WUGGHJRCUPUPAA-UHFFFAOYSA-N 0 1 308.381 3.954 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503672 1038598284 /nfs/dbraw/zinc/59/82/84/1038598284.db2.gz LZIQBYXFPHVROO-ZBFHGGJFSA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775503881 1038598875 /nfs/dbraw/zinc/59/88/75/1038598875.db2.gz OTOSSOQOPLODQO-GFCCVEGCSA-N 0 1 324.774 3.580 20 10 DHCDMN Cc1ccsc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440553 1040262956 /nfs/dbraw/zinc/26/29/56/1040262956.db2.gz ILNDIBBXGSWWDI-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN Oc1ccccc1CNCc1cccc(F)c1Br ZINC000228416304 1040859434 /nfs/dbraw/zinc/85/94/34/1040859434.db2.gz NFFOKBCJMZLIJI-UHFFFAOYSA-N 0 1 310.166 3.584 20 10 DHCDMN CC[C@](C)(NCc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000079443617 185171927 /nfs/dbraw/zinc/17/19/27/185171927.db2.gz CGLHBFNWILFCFP-INIZCTEOSA-N 0 1 322.405 3.605 20 10 DHCDMN COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273399562 130117375 /nfs/dbraw/zinc/11/73/75/130117375.db2.gz MUECHDKBYMRWRJ-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214696 336840357 /nfs/dbraw/zinc/84/03/57/336840357.db2.gz ZUYPNPYEHAQDFI-IINYFYTJSA-N 0 1 305.324 3.763 20 10 DHCDMN O=C(c1cccs1)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000374877162 336998633 /nfs/dbraw/zinc/99/86/33/336998633.db2.gz DPNAUGSICVEJAX-UHFFFAOYSA-N 0 1 319.401 3.688 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CCC[C@@H]2c2nccs2)c1 ZINC000377641772 337057174 /nfs/dbraw/zinc/05/71/74/337057174.db2.gz AVBUBJAKGIZWHX-SMDDNHRTSA-N 0 1 304.415 3.755 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000377696689 337058691 /nfs/dbraw/zinc/05/86/91/337058691.db2.gz LEJTXCGTIBHNPY-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN c1[nH]nc2c1CCC[C@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000378164321 337067484 /nfs/dbraw/zinc/06/74/84/337067484.db2.gz NLWGIRZNNPRQLF-GOSISDBHSA-N 0 1 310.445 3.567 20 10 DHCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000194172521 337082321 /nfs/dbraw/zinc/08/23/21/337082321.db2.gz JJYUINONMFGXPH-ZIAGYGMSSA-N 0 1 314.429 3.501 20 10 DHCDMN Cc1nc([C@@H](N[C@@H](C)c2ccc(C)cc2O)c2ccccc2)n[nH]1 ZINC000185324692 337205229 /nfs/dbraw/zinc/20/52/29/337205229.db2.gz UHBWPGWCFSEEQQ-UGSOOPFHSA-N 0 1 322.412 3.567 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000441380193 338411115 /nfs/dbraw/zinc/41/11/15/338411115.db2.gz QDXXYMWUQSYWMU-UHFFFAOYSA-N 0 1 322.334 3.518 20 10 DHCDMN COc1cccc(CNCc2c(C)c3ccccc3n2C)c1OC ZINC000475198908 339441226 /nfs/dbraw/zinc/44/12/26/339441226.db2.gz RNVOSAIEFVRMRU-UHFFFAOYSA-N 0 1 324.424 3.794 20 10 DHCDMN CC(C)OCCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000184863184 519764544 /nfs/dbraw/zinc/76/45/44/519764544.db2.gz XNLWIZBGSQSYGI-NSHDSACASA-N 0 1 316.239 3.620 20 10 DHCDMN CCCN(CCC)c1ccc(CNCc2cc(C)nn2C)cc1 ZINC000284104234 535327537 /nfs/dbraw/zinc/32/75/37/535327537.db2.gz WKURKELPNVGMOG-UHFFFAOYSA-N 0 1 314.477 3.645 20 10 DHCDMN COCC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624384 536808864 /nfs/dbraw/zinc/80/88/64/536808864.db2.gz YXECOIWOUJZUOS-WMLDXEAASA-N 0 1 302.418 3.774 20 10 DHCDMN CC[N@@H+](CCC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000737096196 600423121 /nfs/dbraw/zinc/42/31/21/600423121.db2.gz LNICQOPNEWAQEV-UHFFFAOYSA-N 0 1 313.353 3.588 20 10 DHCDMN Cc1cccc2c1CC[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000729466422 1013458321 /nfs/dbraw/zinc/45/83/21/1013458321.db2.gz URLUDKFCHWCGDS-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN Cc1cccc2c1CC[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000729466422 1013458331 /nfs/dbraw/zinc/45/83/31/1013458331.db2.gz URLUDKFCHWCGDS-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN CC1(C)CN(Cc2cc(F)cc(F)c2O)[C@@H]1c1cccnc1 ZINC000894834487 1013520363 /nfs/dbraw/zinc/52/03/63/1013520363.db2.gz QTNIYIJCEABAFS-MRXNPFEDSA-N 0 1 304.340 3.649 20 10 DHCDMN COCC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294603722 1032078616 /nfs/dbraw/zinc/07/86/16/1032078616.db2.gz NTKLULZKQSHFOT-INIZCTEOSA-N 0 1 302.418 3.521 20 10 DHCDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])o1 ZINC000866479116 1030314819 /nfs/dbraw/zinc/31/48/19/1030314819.db2.gz PVJHSJKFKUXNSK-SNVBAGLBSA-N 0 1 310.191 3.907 20 10 DHCDMN Cc1ccc(C)c(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167434073 1014346371 /nfs/dbraw/zinc/34/63/71/1014346371.db2.gz AJARKHMMNKMDAE-UHFFFAOYSA-N 0 1 309.457 3.667 20 10 DHCDMN CCc1cc(CN2CCOC[C@H]2CC)c(O)c(C(C)(C)C)c1 ZINC000738085245 1015396439 /nfs/dbraw/zinc/39/64/39/1015396439.db2.gz RWLVCSKEHAPNOM-MRXNPFEDSA-N 0 1 305.462 3.863 20 10 DHCDMN CN(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001598317865 991309563 /nfs/dbraw/zinc/30/95/63/991309563.db2.gz NCUZLKFEXNZQPO-OALUTQOASA-N 0 1 324.424 3.543 20 10 DHCDMN Cn1ccnc1[C@H]1N(Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294705084 1032121412 /nfs/dbraw/zinc/12/14/12/1032121412.db2.gz DHRXKCIPAMOQLT-CQSZACIVSA-N 0 1 323.799 3.501 20 10 DHCDMN C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000185015569 1016505308 /nfs/dbraw/zinc/50/53/08/1016505308.db2.gz GXIAZISDKFBYHP-AWEZNQCLSA-N 0 1 321.424 3.857 20 10 DHCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1)OCO2 ZINC000054569571 1032413890 /nfs/dbraw/zinc/41/38/90/1032413890.db2.gz NFMUXZQDBCFVLH-OAHLLOKOSA-N 0 1 315.344 3.597 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 ZINC000073007625 1017086851 /nfs/dbraw/zinc/08/68/51/1017086851.db2.gz KYIUZMCANIRGQA-ZDUSSCGKSA-N 0 1 301.434 3.988 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000773007450 1032522142 /nfs/dbraw/zinc/52/21/42/1032522142.db2.gz GHLNPWCUKQSPFB-AUUYWEPGSA-N 0 1 316.420 3.666 20 10 DHCDMN Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000160177445 1011934575 /nfs/dbraw/zinc/93/45/75/1011934575.db2.gz VBAIJHOSTLGWGG-MRXNPFEDSA-N 0 1 317.454 3.943 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000036982025 1032624607 /nfs/dbraw/zinc/62/46/07/1032624607.db2.gz KTFMHWMITYGSEK-JTQLQIEISA-N 0 1 305.761 3.625 20 10 DHCDMN CC(C)n1cc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001137079590 1032628471 /nfs/dbraw/zinc/62/84/71/1032628471.db2.gz UAQNLLVAMUHDMI-UHFFFAOYSA-N 0 1 312.461 3.696 20 10 DHCDMN COc1cc(C)cc(CN[C@H](c2nc(C)cs2)C2CC2)c1O ZINC000894307609 1012524340 /nfs/dbraw/zinc/52/43/40/1012524340.db2.gz KGYZAIOQSLKKNO-HNNXBMFYSA-N 0 1 318.442 3.715 20 10 DHCDMN Oc1c(F)cc(Br)cc1CN1CCC(F)(F)CC1 ZINC000715796362 1032632043 /nfs/dbraw/zinc/63/20/43/1032632043.db2.gz PJLOXYFPWVNUHE-UHFFFAOYSA-N 0 1 324.140 3.525 20 10 DHCDMN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(F)(F)CC1 ZINC000715796362 1032632049 /nfs/dbraw/zinc/63/20/49/1032632049.db2.gz PJLOXYFPWVNUHE-UHFFFAOYSA-N 0 1 324.140 3.525 20 10 DHCDMN O=[N+]([O-])c1cnc(Sc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000195506129 1017121437 /nfs/dbraw/zinc/12/14/37/1017121437.db2.gz FCLIIIZPHLAWSE-UHFFFAOYSA-N 0 1 312.763 3.732 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000840859636 1017207602 /nfs/dbraw/zinc/20/76/02/1017207602.db2.gz LDVNJSLMNICEHQ-KKZNHRDASA-N 0 1 316.264 3.699 20 10 DHCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701729796 1018098459 /nfs/dbraw/zinc/09/84/59/1018098459.db2.gz NVGZCMRMGRFRSM-GFCCVEGCSA-N 0 1 304.217 3.698 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)[nH]n1 ZINC000766082706 1018196402 /nfs/dbraw/zinc/19/64/02/1018196402.db2.gz BESJYZSKYZNITF-AWEZNQCLSA-N 0 1 316.424 3.698 20 10 DHCDMN C[C@@H]1OCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1C ZINC000765099358 1018475664 /nfs/dbraw/zinc/47/56/64/1018475664.db2.gz PDTDAWMFSBNCHV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1OCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H]1C ZINC000765099358 1018475667 /nfs/dbraw/zinc/47/56/67/1018475667.db2.gz PDTDAWMFSBNCHV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1OCCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@H]1C ZINC000765099358 1018475674 /nfs/dbraw/zinc/47/56/74/1018475674.db2.gz PDTDAWMFSBNCHV-STQMWFEESA-N 0 1 315.413 3.626 20 10 DHCDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccncc32)n1 ZINC000765107676 1018478534 /nfs/dbraw/zinc/47/85/34/1018478534.db2.gz XYPUTXDSIKGHAD-LJQANCHMSA-N 0 1 319.408 3.981 20 10 DHCDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2c([O-])ccc3ccncc32)n1 ZINC000765107676 1018478540 /nfs/dbraw/zinc/47/85/40/1018478540.db2.gz XYPUTXDSIKGHAD-LJQANCHMSA-N 0 1 319.408 3.981 20 10 DHCDMN COc1ccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858116745 1032774167 /nfs/dbraw/zinc/77/41/67/1032774167.db2.gz WNQKFRFOCTYMGI-LBPRGKRZSA-N 0 1 320.383 3.890 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@H]2CCc3cc(F)ccc32)cc1F ZINC000858118408 1032774246 /nfs/dbraw/zinc/77/42/46/1032774246.db2.gz ZKDBQEQBWKQDHA-KRWDZBQOSA-N 0 1 320.358 3.947 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C1(c2ccccc2)CC1 ZINC000858132487 1032776493 /nfs/dbraw/zinc/77/64/93/1032776493.db2.gz FWQQTDMSBRDGPH-UHFFFAOYSA-N 0 1 318.214 3.934 20 10 DHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704075 1018942647 /nfs/dbraw/zinc/94/26/47/1018942647.db2.gz VCBSFLRFYFFHQH-LLVKDONJSA-N 0 1 302.187 3.668 20 10 DHCDMN c1cc(C2(NCc3ccc4c(c3)CCCO4)CC2)cc2c1OCO2 ZINC000921864393 1019015458 /nfs/dbraw/zinc/01/54/58/1019015458.db2.gz VCWNBKBZYOLAHF-UHFFFAOYSA-N 0 1 323.392 3.519 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)cnc2Cl)c1 ZINC000922217985 1019897141 /nfs/dbraw/zinc/89/71/41/1019897141.db2.gz YVYBCBHYCVGSMB-LLVKDONJSA-N 0 1 306.793 3.608 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cn3cc(C)ccc3n2)cc1 ZINC000731450497 1020108607 /nfs/dbraw/zinc/10/86/07/1020108607.db2.gz CDNIDFLBGZVSRZ-UHFFFAOYSA-N 0 1 322.456 3.779 20 10 DHCDMN C[N@H+](CCc1ccccc1F)Cc1c([O-])ccc2ccncc21 ZINC000731663346 1020133937 /nfs/dbraw/zinc/13/39/37/1020133937.db2.gz ZIGYTAJGBCHOQY-UHFFFAOYSA-N 0 1 310.372 3.754 20 10 DHCDMN C[N@@H+](CCc1ccccc1F)Cc1c([O-])ccc2ccncc21 ZINC000731663346 1020133942 /nfs/dbraw/zinc/13/39/42/1020133942.db2.gz ZIGYTAJGBCHOQY-UHFFFAOYSA-N 0 1 310.372 3.754 20 10 DHCDMN Oc1ccccc1CN(Cc1nccn1C(F)F)C1CCCC1 ZINC000732205062 1020213073 /nfs/dbraw/zinc/21/30/73/1020213073.db2.gz YVNABGPKCCQMEM-UHFFFAOYSA-N 0 1 321.371 3.929 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000733326938 1020374063 /nfs/dbraw/zinc/37/40/63/1020374063.db2.gz GEAWZTMFQBGCMP-UHFFFAOYSA-N 0 1 318.779 3.998 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(Cl)ccc1[O-] ZINC000858452512 1032903271 /nfs/dbraw/zinc/90/32/71/1032903271.db2.gz DWTPNVKFQZRGBK-LRDDRELGSA-N 0 1 317.816 3.838 20 10 DHCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000378801100 1020519816 /nfs/dbraw/zinc/51/98/16/1020519816.db2.gz URUMVRNVSRRSAS-CQSZACIVSA-N 0 1 318.244 3.946 20 10 DHCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000378801094 1020519832 /nfs/dbraw/zinc/51/98/32/1020519832.db2.gz URUMVRNVSRRSAS-AWEZNQCLSA-N 0 1 318.244 3.946 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000691407092 1020648933 /nfs/dbraw/zinc/64/89/33/1020648933.db2.gz MDUFHERUIJUJLQ-CYBMUJFWSA-N 0 1 318.214 3.584 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CSc3ccccc32)cc1F ZINC000735508746 1020741847 /nfs/dbraw/zinc/74/18/47/1020741847.db2.gz NLXSFPZOTQCATR-HNNXBMFYSA-N 0 1 302.418 3.828 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CSc3ccccc32)cc1F ZINC000735508747 1020742313 /nfs/dbraw/zinc/74/23/13/1020742313.db2.gz NLXSFPZOTQCATR-OAHLLOKOSA-N 0 1 302.418 3.828 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000310707056 1020822366 /nfs/dbraw/zinc/82/23/66/1020822366.db2.gz DISLHHUDELOOGE-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000282130971 1020867549 /nfs/dbraw/zinc/86/75/49/1020867549.db2.gz BKPGJGNBAMSTEV-CABZTGNLSA-N 0 1 304.217 3.698 20 10 DHCDMN CCN(Cc1ccccc1Cl)Cc1cc2c(cc1O)OCO2 ZINC000917436826 1021261265 /nfs/dbraw/zinc/26/12/65/1021261265.db2.gz NSOLCYBXSPRDFE-UHFFFAOYSA-N 0 1 319.788 3.796 20 10 DHCDMN CC(=O)c1cc(F)cc(CN[C@@H](C)c2cccc(F)c2F)c1O ZINC000182000552 1021424572 /nfs/dbraw/zinc/42/45/72/1021424572.db2.gz ORPJTGDSXLTKSS-VIFPVBQESA-N 0 1 323.314 3.863 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1[O-] ZINC000182000552 1021424576 /nfs/dbraw/zinc/42/45/76/1021424576.db2.gz ORPJTGDSXLTKSS-VIFPVBQESA-N 0 1 323.314 3.863 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000850408754 1021515412 /nfs/dbraw/zinc/51/54/12/1021515412.db2.gz DTJDKMAHNSHCJY-JCURWCKSSA-N 0 1 303.764 3.613 20 10 DHCDMN COc1cccc(OC)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000850504724 1021566216 /nfs/dbraw/zinc/56/62/16/1021566216.db2.gz DDKQROYHCSOMHQ-AWEZNQCLSA-N 0 1 314.429 3.621 20 10 DHCDMN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000850520966 1021575980 /nfs/dbraw/zinc/57/59/80/1021575980.db2.gz KOCWSGLYXIGRNH-XHDPSFHLSA-N 0 1 307.340 3.620 20 10 DHCDMN C[C@H]([NH2+]CCc1ccoc1)c1cc(Br)ccc1[O-] ZINC000850530682 1021584798 /nfs/dbraw/zinc/58/47/98/1021584798.db2.gz AYQUBOZNWIMRLQ-JTQLQIEISA-N 0 1 310.191 3.641 20 10 DHCDMN C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(Cl)cc1[O-] ZINC000850531875 1021585518 /nfs/dbraw/zinc/58/55/18/1021585518.db2.gz IHVMZNWBLLJHCU-FZZIBODNSA-N 0 1 317.763 3.511 20 10 DHCDMN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078111 1021627818 /nfs/dbraw/zinc/62/78/18/1021627818.db2.gz OFZFRCAMFOPQQW-JTQLQIEISA-N 0 1 304.217 3.700 20 10 DHCDMN O=C(Nc1cccc(N2CCCC2)c1)c1c(O)cccc1Cl ZINC000920453715 1022123749 /nfs/dbraw/zinc/12/37/49/1022123749.db2.gz JWESVAIXUBHDSY-UHFFFAOYSA-N 0 1 316.788 3.898 20 10 DHCDMN CC(C)(F)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852551911 1022137745 /nfs/dbraw/zinc/13/77/45/1022137745.db2.gz BFSAKKSMAHWHQY-UHFFFAOYSA-N 0 1 323.195 3.636 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCC(F)CC2)c1[O-] ZINC000852650782 1022151829 /nfs/dbraw/zinc/15/18/29/1022151829.db2.gz RFLQNVXQPQTYIT-PWQPVHBWSA-N 0 1 311.372 3.740 20 10 DHCDMN CCC[N@@H+](CCCCCn1cc(C)cn1)Cc1ccccc1O ZINC000111214354 1022250853 /nfs/dbraw/zinc/25/08/53/1022250853.db2.gz VSJNMZXBZULYAD-UHFFFAOYSA-N 0 1 315.461 3.980 20 10 DHCDMN Cc1cc(Cl)nc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000282143798 1022285476 /nfs/dbraw/zinc/28/54/76/1022285476.db2.gz WKQXMOLSUOZLCK-UHFFFAOYSA-N 0 1 307.800 3.538 20 10 DHCDMN C[C@@]12COC[C@H]1C[N@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565733 1022293590 /nfs/dbraw/zinc/29/35/90/1022293590.db2.gz JKCUOXVKCTUULR-JLTOFOAXSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1cc3oc4ccccc4c3cc1[O-])C2 ZINC000853565733 1022293594 /nfs/dbraw/zinc/29/35/94/1022293594.db2.gz JKCUOXVKCTUULR-JLTOFOAXSA-N 0 1 323.392 3.760 20 10 DHCDMN COc1cc(CN2CC3(CCC3)[C@@H]2c2ccncc2)c(O)cc1C ZINC000853632401 1022302059 /nfs/dbraw/zinc/30/20/59/1022302059.db2.gz FSJSZZHPMBNKFD-IBGZPJMESA-N 0 1 324.424 3.831 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](CF)C2)cc1Br ZINC001237678725 1022534116 /nfs/dbraw/zinc/53/41/16/1022534116.db2.gz LNBPPCZYVSWOCD-NSHDSACASA-N 0 1 316.214 3.645 20 10 DHCDMN C[C@@H](NCc1csc(-c2ccco2)n1)c1ccccc1O ZINC000179902495 1022571171 /nfs/dbraw/zinc/57/11/71/1022571171.db2.gz GTZPQKPPWKOAPR-LLVKDONJSA-N 0 1 300.383 3.960 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000695710750 1022588563 /nfs/dbraw/zinc/58/85/63/1022588563.db2.gz UQHVLSQGOKKODU-UHFFFAOYSA-N 0 1 310.235 3.967 20 10 DHCDMN Cc1cccc(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1O ZINC000180414500 1022724053 /nfs/dbraw/zinc/72/40/53/1022724053.db2.gz ZWTLXWGUMIQNLW-SFHVURJKSA-N 0 1 315.388 3.722 20 10 DHCDMN COc1ccc(F)c(CNCc2c(O)cc(C)cc2Cl)c1 ZINC000856805527 1022871821 /nfs/dbraw/zinc/87/18/21/1022871821.db2.gz YFFBDLSXMWCWSL-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN COc1ccc(F)c(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000856805527 1022871832 /nfs/dbraw/zinc/87/18/32/1022871832.db2.gz YFFBDLSXMWCWSL-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN COc1ccc(Cl)cc1CN(C)Cc1cc(C)ccc1O ZINC000768206983 1022915360 /nfs/dbraw/zinc/91/53/60/1022915360.db2.gz NQOYXMWHDQSERM-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2cc3c(cc2O)CCCC3)no1 ZINC000768442405 1022968046 /nfs/dbraw/zinc/96/80/46/1022968046.db2.gz UWSRTGKWXBWJMB-GOSISDBHSA-N 0 1 312.413 3.905 20 10 DHCDMN COc1cc(CN2CC[C@H]2c2cccc(F)c2)c(O)cc1C ZINC000768465274 1022973819 /nfs/dbraw/zinc/97/38/19/1022973819.db2.gz FGNMEQJTUILWOZ-INIZCTEOSA-N 0 1 301.361 3.795 20 10 DHCDMN Oc1ccc(CNc2ccnc(C3(C(F)(F)F)CC3)c2)cc1O ZINC001169997157 1023041776 /nfs/dbraw/zinc/04/17/76/1023041776.db2.gz TUHHBWNCBHMESE-UHFFFAOYSA-N 0 1 324.302 3.699 20 10 DHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000769021355 1023072105 /nfs/dbraw/zinc/07/21/05/1023072105.db2.gz HFYHCXOHLJUVGO-SFHVURJKSA-N 0 1 317.816 3.791 20 10 DHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000769021355 1023072116 /nfs/dbraw/zinc/07/21/16/1023072116.db2.gz HFYHCXOHLJUVGO-SFHVURJKSA-N 0 1 317.816 3.791 20 10 DHCDMN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000769103836 1023091069 /nfs/dbraw/zinc/09/10/69/1023091069.db2.gz CNOCGQKZJUFWPL-VQIMIIECSA-N 0 1 302.462 3.676 20 10 DHCDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)O ZINC000769325877 1023122555 /nfs/dbraw/zinc/12/25/55/1023122555.db2.gz CEAUSBDKQWKSCT-UHFFFAOYSA-N 0 1 306.233 3.682 20 10 DHCDMN C[C@H](NCc1cc(O)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000859257494 1033115423 /nfs/dbraw/zinc/11/54/23/1033115423.db2.gz BZQMTRXOXWOMND-LBPRGKRZSA-N 0 1 304.821 3.962 20 10 DHCDMN CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756628003 1023239321 /nfs/dbraw/zinc/23/93/21/1023239321.db2.gz UKZAMGKBPVJFFZ-KCQAQPDRSA-N 0 1 309.425 3.714 20 10 DHCDMN COc1ccc2c(c1)CCN2Cc1cnc(-c2ccccc2)[nH]1 ZINC000772599108 1023576687 /nfs/dbraw/zinc/57/66/87/1023576687.db2.gz NKIJPHIRFRZILB-UHFFFAOYSA-N 0 1 305.381 3.648 20 10 DHCDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1O ZINC000796893905 1023622218 /nfs/dbraw/zinc/62/22/18/1023622218.db2.gz HXXDQGWGJUFNGB-MRXNPFEDSA-N 0 1 312.348 3.675 20 10 DHCDMN COc1nn(C)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000788984288 1023958440 /nfs/dbraw/zinc/95/84/40/1023958440.db2.gz KAYJAABHGORHQO-SSDOTTSWSA-N 0 1 316.188 3.614 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc2ccccc2c1[O-] ZINC000185373244 1024030766 /nfs/dbraw/zinc/03/07/66/1024030766.db2.gz FXKXXDDTAMEZKD-CQSZACIVSA-N 0 1 307.393 3.889 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000268824305 1024172424 /nfs/dbraw/zinc/17/24/24/1024172424.db2.gz IQIUQQFQJFFWQK-GFCCVEGCSA-N 0 1 312.200 3.589 20 10 DHCDMN Cc1ccc(CN[C@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000876994958 1033201796 /nfs/dbraw/zinc/20/17/96/1033201796.db2.gz TZDGIZQEOBOYET-MRXNPFEDSA-N 0 1 303.402 3.797 20 10 DHCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Br)CC(F)F ZINC000883251093 1024320021 /nfs/dbraw/zinc/32/00/21/1024320021.db2.gz BIXZHKMFILQFCO-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN COc1ccc(C2CC2)cc1CNCc1ccc2c(c1)CCO2 ZINC000883258745 1024327995 /nfs/dbraw/zinc/32/79/95/1024327995.db2.gz NPBJQSUQUMTSHJ-UHFFFAOYSA-N 0 1 309.409 3.797 20 10 DHCDMN COc1ccc(C2CC2)cc1CNCc1c(O)cccc1OC ZINC000883258710 1024328942 /nfs/dbraw/zinc/32/89/42/1024328942.db2.gz MMKAZFPSMOKYHB-UHFFFAOYSA-N 0 1 313.397 3.577 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000105444587 1024379448 /nfs/dbraw/zinc/37/94/48/1024379448.db2.gz LWOLDDARJKVIKH-GFCCVEGCSA-N 0 1 318.214 3.584 20 10 DHCDMN C[C@@H](N[C@@H](C)C(F)F)c1cc(Br)cc(F)c1O ZINC000883399191 1024427961 /nfs/dbraw/zinc/42/79/61/1024427961.db2.gz GOYJPUNRKMQDOC-RITPCOANSA-N 0 1 312.129 3.598 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000792163210 1024639239 /nfs/dbraw/zinc/63/92/39/1024639239.db2.gz WORZKRJZPDSEBQ-INIZCTEOSA-N 0 1 321.779 3.758 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](CCO)c1ccccc1 ZINC000792165852 1024641223 /nfs/dbraw/zinc/64/12/23/1024641223.db2.gz LQDCYPXYQNCBKM-HNNXBMFYSA-N 0 1 323.795 3.740 20 10 DHCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CC)C(=O)OCC ZINC000792189146 1024646493 /nfs/dbraw/zinc/64/64/93/1024646493.db2.gz QRXKUYQATKUELI-CQSZACIVSA-N 0 1 313.825 3.599 20 10 DHCDMN C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1[O-] ZINC000793565559 1025104655 /nfs/dbraw/zinc/10/46/55/1025104655.db2.gz CDNNMHOVZYQRPF-NSHDSACASA-N 0 1 315.804 3.815 20 10 DHCDMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877341938 1033286543 /nfs/dbraw/zinc/28/65/43/1033286543.db2.gz HLWRKUSIBLDTBX-ABAIWWIYSA-N 0 1 304.340 3.649 20 10 DHCDMN C[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805079129 1025535963 /nfs/dbraw/zinc/53/59/63/1025535963.db2.gz ABALZGVPSHLSRA-PELKAZGASA-N 0 1 317.216 3.687 20 10 DHCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894042373 1025668232 /nfs/dbraw/zinc/66/82/32/1025668232.db2.gz NEMAZGPKWDJIBP-GFCCVEGCSA-N 0 1 319.351 3.669 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(Cl)cc1[O-] ZINC000841746837 1026049980 /nfs/dbraw/zinc/04/99/80/1026049980.db2.gz LMNLVJPCJCVABF-LBPRGKRZSA-N 0 1 304.821 3.962 20 10 DHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000807837702 1026128860 /nfs/dbraw/zinc/12/88/60/1026128860.db2.gz AIQXPYYWRGWWGX-QMMMGPOBSA-N 0 1 314.168 3.712 20 10 DHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)[nH]1 ZINC000807833477 1026129282 /nfs/dbraw/zinc/12/92/82/1026129282.db2.gz AILWZPITRNYXKB-UHFFFAOYSA-N 0 1 313.184 3.574 20 10 DHCDMN CS[C@H](C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836536 1026129436 /nfs/dbraw/zinc/12/94/36/1026129436.db2.gz ZSTFIANPLOFGFD-MRVPVSSYSA-N 0 1 322.257 3.847 20 10 DHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)oc1C ZINC000807838188 1026132166 /nfs/dbraw/zinc/13/21/66/1026132166.db2.gz KNYWOUBMHMJAMD-UHFFFAOYSA-N 0 1 314.168 3.839 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](CCO)c2ccco2)c1O ZINC000808715308 1026362483 /nfs/dbraw/zinc/36/24/83/1026362483.db2.gz TZFBIUFWBCFTQT-FZMZJTMJSA-N 0 1 309.793 3.721 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](CCO)c2ccco2)c1O ZINC000808715310 1026363795 /nfs/dbraw/zinc/36/37/95/1026363795.db2.gz TZFBIUFWBCFTQT-RISCZKNCSA-N 0 1 309.793 3.721 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000809693222 1026585618 /nfs/dbraw/zinc/58/56/18/1026585618.db2.gz QPVBQWZLDSJGCQ-AWEZNQCLSA-N 0 1 309.772 3.635 20 10 DHCDMN CN(C)CC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000809728155 1026596219 /nfs/dbraw/zinc/59/62/19/1026596219.db2.gz NFOWYJRSWJDEIN-UHFFFAOYSA-N 0 1 318.848 3.609 20 10 DHCDMN CN(C)CC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000809728155 1026596227 /nfs/dbraw/zinc/59/62/27/1026596227.db2.gz NFOWYJRSWJDEIN-UHFFFAOYSA-N 0 1 318.848 3.609 20 10 DHCDMN CC[C@H](CSC)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766994 1026605459 /nfs/dbraw/zinc/60/54/59/1026605459.db2.gz DBYHJCUAJQHGPV-GFCCVEGCSA-N 0 1 318.280 3.728 20 10 DHCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000809766994 1026605462 /nfs/dbraw/zinc/60/54/62/1026605462.db2.gz DBYHJCUAJQHGPV-GFCCVEGCSA-N 0 1 318.280 3.728 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000809787248 1026625867 /nfs/dbraw/zinc/62/58/67/1026625867.db2.gz XDYUBWQDITVFEN-GFCCVEGCSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000809787248 1026625872 /nfs/dbraw/zinc/62/58/72/1026625872.db2.gz XDYUBWQDITVFEN-GFCCVEGCSA-N 0 1 310.235 3.777 20 10 DHCDMN CC[C@H]([NH2+]C1(COC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232474 1026714919 /nfs/dbraw/zinc/71/49/19/1026714919.db2.gz GUTAJAQYUWEIHC-LBPRGKRZSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+]CCN(CC)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207929 1026716706 /nfs/dbraw/zinc/71/67/06/1026716706.db2.gz POEBJVJIGCLLCK-AWEZNQCLSA-N 0 1 318.383 3.794 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810261058 1026721186 /nfs/dbraw/zinc/72/11/86/1026721186.db2.gz SVPGPPRVLNMUDH-WCQYABFASA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238589 1026724822 /nfs/dbraw/zinc/72/48/22/1026724822.db2.gz LAYAMDUJPKWYGI-OPQQBVKSSA-N 0 1 305.340 3.875 20 10 DHCDMN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238388 1026725385 /nfs/dbraw/zinc/72/53/85/1026725385.db2.gz ZUNLZJVVAXONPS-RISCZKNCSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239304 1026726167 /nfs/dbraw/zinc/72/61/67/1026726167.db2.gz TVIIXCMDWIEPPE-MGPQQGTHSA-N 0 1 317.351 3.755 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238766 1026726323 /nfs/dbraw/zinc/72/63/23/1026726323.db2.gz MSCOHUPWMKBBFJ-IACUBPJLSA-N 0 1 317.351 3.611 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238332 1026726399 /nfs/dbraw/zinc/72/63/99/1026726399.db2.gz JFKDNFDLQIFYNP-OSMZGAPFSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810257014 1026731090 /nfs/dbraw/zinc/73/10/90/1026731090.db2.gz LAYAMDUJPKWYGI-BREBYQMCSA-N 0 1 305.340 3.875 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Br)ccc1[O-] ZINC000810257995 1026731807 /nfs/dbraw/zinc/73/18/07/1026731807.db2.gz XTXSCODHXKHDBW-GIPNMCIBSA-N 0 1 316.239 3.619 20 10 DHCDMN CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000811511907 1027027837 /nfs/dbraw/zinc/02/78/37/1027027837.db2.gz XGJRFWZTUVTSPD-OAHLLOKOSA-N 0 1 307.434 3.570 20 10 DHCDMN CCOc1ccc(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000811511907 1027027845 /nfs/dbraw/zinc/02/78/45/1027027845.db2.gz XGJRFWZTUVTSPD-OAHLLOKOSA-N 0 1 307.434 3.570 20 10 DHCDMN COc1ccc(Cl)cc1CN(C)Cc1cc(F)ccc1O ZINC000778993837 1027730609 /nfs/dbraw/zinc/73/06/09/1027730609.db2.gz ATTDYLKFBGZVFO-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877925 1027747516 /nfs/dbraw/zinc/74/75/16/1027747516.db2.gz HLSVTFHMEXZZMH-ZWNOBZJWSA-N 0 1 319.276 3.937 20 10 DHCDMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779004617 1027757146 /nfs/dbraw/zinc/75/71/46/1027757146.db2.gz XTZYRITZUUUTKA-KRWDZBQOSA-N 0 1 315.388 3.747 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000366475032 1028085151 /nfs/dbraw/zinc/08/51/51/1028085151.db2.gz OYYCCEHOUNOSQG-HWPZZCPQSA-N 0 1 323.845 3.899 20 10 DHCDMN C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000779082794 1028196260 /nfs/dbraw/zinc/19/62/60/1028196260.db2.gz QZSVFGWIBXYUET-OAHLLOKOSA-N 0 1 323.440 3.575 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368040182 1028289349 /nfs/dbraw/zinc/28/93/49/1028289349.db2.gz HZRVSMUOBIMSNO-HIFRSBDPSA-N 0 1 313.401 3.593 20 10 DHCDMN CCc1nocc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000815124145 1028369295 /nfs/dbraw/zinc/36/92/95/1028369295.db2.gz ODFJHLDCNKISOL-UHFFFAOYSA-N 0 1 313.445 3.763 20 10 DHCDMN Oc1ccc(Cl)cc1CNCc1c(F)cc(F)cc1F ZINC000815152222 1028382055 /nfs/dbraw/zinc/38/20/55/1028382055.db2.gz JKTHBQUVNUUZHK-UHFFFAOYSA-N 0 1 301.695 3.753 20 10 DHCDMN Cc1ccc([C@@H](NCc2ccccc2O)c2ccccn2)cc1 ZINC000370033413 1028554810 /nfs/dbraw/zinc/55/48/10/1028554810.db2.gz PGSRQSMMJCDHKZ-HXUWFJFHSA-N 0 1 304.393 3.975 20 10 DHCDMN [O-]c1c(C[NH+]2CCC(n3ccnc3)CC2)ccc2ccccc21 ZINC000816498318 1028890991 /nfs/dbraw/zinc/89/09/91/1028890991.db2.gz PVXUBFGGKKKGML-UHFFFAOYSA-N 0 1 307.397 3.579 20 10 DHCDMN O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816536404 1028922109 /nfs/dbraw/zinc/92/21/09/1028922109.db2.gz VKJJLHFEDKPSNL-UHFFFAOYSA-N 0 1 308.337 3.743 20 10 DHCDMN CC(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816531510 1028922993 /nfs/dbraw/zinc/92/29/93/1028922993.db2.gz UKFUXKITRCDDPJ-UHFFFAOYSA-N 0 1 320.392 3.794 20 10 DHCDMN COc1ccc(OCC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816530598 1028923766 /nfs/dbraw/zinc/92/37/66/1028923766.db2.gz NRWPVYMGYKBDGG-UHFFFAOYSA-N 0 1 323.392 3.723 20 10 DHCDMN Cc1nc(C)c(CC[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816549777 1028930878 /nfs/dbraw/zinc/93/08/78/1028930878.db2.gz XXIIATUFTGVRPQ-UHFFFAOYSA-N 0 1 312.438 3.951 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521705 1028931869 /nfs/dbraw/zinc/93/18/69/1028931869.db2.gz XBSYGDLHACIQTL-AEFFLSMTSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521705 1028931880 /nfs/dbraw/zinc/93/18/80/1028931880.db2.gz XBSYGDLHACIQTL-AEFFLSMTSA-N 0 1 311.425 3.794 20 10 DHCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000816551748 1028941567 /nfs/dbraw/zinc/94/15/67/1028941567.db2.gz NVAQXCIIVPEQSB-MSOLQXFVSA-N 0 1 311.425 3.983 20 10 DHCDMN [O-]c1c(C[NH2+]CCOCc2ccccc2)ccc2ccccc21 ZINC000816555862 1028941699 /nfs/dbraw/zinc/94/16/99/1028941699.db2.gz RSZNRUXBYDYYIY-UHFFFAOYSA-N 0 1 307.393 3.852 20 10 DHCDMN CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552549 1028942748 /nfs/dbraw/zinc/94/27/48/1028942748.db2.gz PLRCJPYKHWURFV-IBGZPJMESA-N 0 1 301.430 3.822 20 10 DHCDMN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559262 1028944036 /nfs/dbraw/zinc/94/40/36/1028944036.db2.gz CSBHSAWMQNWVLS-DYVFJYSZSA-N 0 1 311.381 3.740 20 10 DHCDMN CN(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816561319 1028945957 /nfs/dbraw/zinc/94/59/57/1028945957.db2.gz SSLKGOARCUNRMR-FQEVSTJZSA-N 0 1 320.436 3.938 20 10 DHCDMN Oc1c(CNc2cnn(-c3ccncc3)c2)ccc2ccccc21 ZINC000816563267 1028946617 /nfs/dbraw/zinc/94/66/17/1028946617.db2.gz QPOVBTJYFRVRBI-UHFFFAOYSA-N 0 1 316.364 3.738 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574981 1028953667 /nfs/dbraw/zinc/95/36/67/1028953667.db2.gz YMQMAUJFEUDHGQ-GOSISDBHSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc2ccccc21 ZINC000816574981 1028953684 /nfs/dbraw/zinc/95/36/84/1028953684.db2.gz YMQMAUJFEUDHGQ-GOSISDBHSA-N 0 1 311.425 3.936 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000816607861 1028961260 /nfs/dbraw/zinc/96/12/60/1028961260.db2.gz IEAHGPMPLSVOGU-CQSZACIVSA-N 0 1 309.772 3.635 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000816611676 1028963565 /nfs/dbraw/zinc/96/35/65/1028963565.db2.gz VKHHUWYQNJAEHV-UHFFFAOYSA-N 0 1 306.768 3.744 20 10 DHCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C1CC(OC(C)(C)C)C1 ZINC000817372111 1029140526 /nfs/dbraw/zinc/14/05/26/1029140526.db2.gz GKFMVUDYCLYLGS-UHFFFAOYSA-N 0 1 314.429 3.718 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC(OC(C)(C)C)C1 ZINC000817372111 1029140532 /nfs/dbraw/zinc/14/05/32/1029140532.db2.gz GKFMVUDYCLYLGS-UHFFFAOYSA-N 0 1 314.429 3.718 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccncc1Cl ZINC000817574216 1029200739 /nfs/dbraw/zinc/20/07/39/1029200739.db2.gz MHIWHMFLGFORHW-CYBMUJFWSA-N 0 1 315.848 3.968 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954955 1029293422 /nfs/dbraw/zinc/29/34/22/1029293422.db2.gz NLAJGDZPLMNFLY-HZPDHXFCSA-N 0 1 304.821 3.786 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954956 1029294234 /nfs/dbraw/zinc/29/42/34/1029294234.db2.gz NLAJGDZPLMNFLY-JKSUJKDBSA-N 0 1 304.821 3.786 20 10 DHCDMN CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290445941 1030051141 /nfs/dbraw/zinc/05/11/41/1030051141.db2.gz MBRCUTWJIPKRKN-UHFFFAOYSA-N 0 1 321.852 3.717 20 10 DHCDMN F[C@H]1COc2ccccc2[C@H]1NCCCSc1nccs1 ZINC000866270186 1030191802 /nfs/dbraw/zinc/19/18/02/1030191802.db2.gz SYTLQUXBQLZINW-GXTWGEPZSA-N 0 1 324.446 3.687 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc(O)cc(F)c1 ZINC000924862146 1030209796 /nfs/dbraw/zinc/20/97/96/1030209796.db2.gz OVDZBVUVMBMOBT-LLVKDONJSA-N 0 1 306.356 3.587 20 10 DHCDMN CN(C)c1ccc(CNCc2ccnc(Cl)c2Cl)cc1 ZINC000290821748 1030210614 /nfs/dbraw/zinc/21/06/14/1030210614.db2.gz HBLVJNAIOGOTQC-UHFFFAOYSA-N 0 1 310.228 3.744 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000291038267 1030305404 /nfs/dbraw/zinc/30/54/04/1030305404.db2.gz YXZJLHVQCCMWLH-CVEARBPZSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000291038267 1030305418 /nfs/dbraw/zinc/30/54/18/1030305418.db2.gz YXZJLHVQCCMWLH-CVEARBPZSA-N 0 1 307.821 3.579 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000866464738 1030307880 /nfs/dbraw/zinc/30/78/80/1030307880.db2.gz YKIMUBOFQPOMEF-YHAQOWFVSA-N 0 1 313.319 3.508 20 10 DHCDMN C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824555328 1030580026 /nfs/dbraw/zinc/58/00/26/1030580026.db2.gz FIRHCZDXMRPXRE-SNVBAGLBSA-N 0 1 310.191 3.941 20 10 DHCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824555328 1030580036 /nfs/dbraw/zinc/58/00/36/1030580036.db2.gz FIRHCZDXMRPXRE-SNVBAGLBSA-N 0 1 310.191 3.941 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@H](c3ccsc3)C1)CCC2 ZINC000122186295 1030591205 /nfs/dbraw/zinc/59/12/05/1030591205.db2.gz WFNKCVNMNULGGI-SFHVURJKSA-N 0 1 315.438 3.516 20 10 DHCDMN CCC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000824649557 1030597809 /nfs/dbraw/zinc/59/78/09/1030597809.db2.gz FCZLKKMPRRGTJV-UHFFFAOYSA-N 0 1 313.445 3.805 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824697030 1030603856 /nfs/dbraw/zinc/60/38/56/1030603856.db2.gz YANNKMKNHXJYID-UXLLHSPISA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824697030 1030603867 /nfs/dbraw/zinc/60/38/67/1030603867.db2.gz YANNKMKNHXJYID-UXLLHSPISA-N 0 1 309.837 3.561 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905909 1030665210 /nfs/dbraw/zinc/66/52/10/1030665210.db2.gz IKBOHXPNTIOSNZ-OAHLLOKOSA-N 0 1 319.836 3.597 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905909 1030665216 /nfs/dbraw/zinc/66/52/16/1030665216.db2.gz IKBOHXPNTIOSNZ-OAHLLOKOSA-N 0 1 319.836 3.597 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(OC(C)C)nc2)cc1Cl ZINC000825120533 1030726481 /nfs/dbraw/zinc/72/64/81/1030726481.db2.gz LMPVXSZRNSHZNQ-UHFFFAOYSA-N 0 1 320.820 3.826 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3nc(C)ncc32)cc1Cl ZINC000825279786 1030763627 /nfs/dbraw/zinc/76/36/27/1030763627.db2.gz XSPMQDVWJMLACN-OAHLLOKOSA-N 0 1 317.820 3.620 20 10 DHCDMN C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825451727 1030813847 /nfs/dbraw/zinc/81/38/47/1030813847.db2.gz ZHBIVJOXTXHKIO-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825451727 1030813861 /nfs/dbraw/zinc/81/38/61/1030813861.db2.gz ZHBIVJOXTXHKIO-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN CN(Cc1cc(Cl)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179315668 1031079452 /nfs/dbraw/zinc/07/94/52/1031079452.db2.gz SMVWLKTXPBFHOF-UHFFFAOYSA-N 0 1 306.749 3.586 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1[O-] ZINC000927099986 1031088434 /nfs/dbraw/zinc/08/84/34/1031088434.db2.gz DTXWRWSVJBQTTI-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN CCc1onc(C)c1CN(CC)Cc1ccc(N(C)C)cc1 ZINC000929225472 1031472174 /nfs/dbraw/zinc/47/21/74/1031472174.db2.gz STHJKQMBKXLNJO-UHFFFAOYSA-N 0 1 301.434 3.634 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1cc(Cl)ccc1[O-] ZINC000872135447 1031530184 /nfs/dbraw/zinc/53/01/84/1031530184.db2.gz WWCDDLHACFUFDL-BXUZGUMPSA-N 0 1 305.809 3.946 20 10 DHCDMN Cc1nonc1CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000872136602 1031530614 /nfs/dbraw/zinc/53/06/14/1031530614.db2.gz NOPAAHOEXCFXKB-QGZVFWFLSA-N 0 1 323.396 3.547 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000873183308 1031745829 /nfs/dbraw/zinc/74/58/29/1031745829.db2.gz CXFJSVCSVLEDKG-LBPRGKRZSA-N 0 1 317.364 3.651 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2ccnn2C)C(C)C)cc1Cl ZINC000825667056 1031780413 /nfs/dbraw/zinc/78/04/13/1031780413.db2.gz SUWDPZFPXAGXMT-AWEZNQCLSA-N 0 1 321.852 3.617 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016398 1031809597 /nfs/dbraw/zinc/80/95/97/1031809597.db2.gz VLGMYWAPCWVPCD-UHFFFAOYSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1cc(F)c(F)cc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001142520574 1031848706 /nfs/dbraw/zinc/84/87/06/1031848706.db2.gz LPIGXEOGFHOOAG-OAHLLOKOSA-N 0 1 324.415 3.511 20 10 DHCDMN CCn1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2C)c1C ZINC000877664150 1033403540 /nfs/dbraw/zinc/40/35/40/1033403540.db2.gz LUSDWJOWRFSCRD-UHFFFAOYSA-N 0 1 314.477 3.526 20 10 DHCDMN Cc1ccnc(CN[C@@H](C)c2ccccc2O)c1Br ZINC000877758365 1033434033 /nfs/dbraw/zinc/43/40/33/1033434033.db2.gz WHLZLXKQEPFIAY-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(Cl)c1O)NC2=O ZINC000877863587 1033493386 /nfs/dbraw/zinc/49/33/86/1033493386.db2.gz INCLLRXSTPKJAC-CQSZACIVSA-N 0 1 323.179 3.862 20 10 DHCDMN CCOc1cccc(CN[C@](C)(CC)c2nccs2)c1O ZINC000152654736 1033534388 /nfs/dbraw/zinc/53/43/88/1033534388.db2.gz OJRQFPQATLITJT-MRXNPFEDSA-N 0 1 306.431 3.662 20 10 DHCDMN C[C@@H](O)C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000153250429 1033568183 /nfs/dbraw/zinc/56/81/83/1033568183.db2.gz LQUBFAQJEVFGFU-HIFRSBDPSA-N 0 1 319.832 3.690 20 10 DHCDMN CN(C)c1ccc(CN2CCC(C(F)(F)F)CC2)cc1F ZINC000127190759 1033743505 /nfs/dbraw/zinc/74/35/05/1033743505.db2.gz SFXPNANGSNGOIK-UHFFFAOYSA-N 0 1 304.331 3.666 20 10 DHCDMN CC[C@@](C)(NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000174502396 1033937124 /nfs/dbraw/zinc/93/71/24/1033937124.db2.gz RMZHETGUYDUNJM-QGZVFWFLSA-N 0 1 303.475 3.933 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120468 1034119747 /nfs/dbraw/zinc/11/97/47/1034119747.db2.gz DQFDUNOOXGACKG-WBVHZDCISA-N 0 1 317.816 3.662 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1Cl ZINC000826120468 1034119753 /nfs/dbraw/zinc/11/97/53/1034119753.db2.gz DQFDUNOOXGACKG-WBVHZDCISA-N 0 1 317.816 3.662 20 10 DHCDMN Oc1ccccc1CN(CCOCC1CCC1)Cc1ccco1 ZINC000842152968 1034179287 /nfs/dbraw/zinc/17/92/87/1034179287.db2.gz LDJZCBPXCOZLHS-UHFFFAOYSA-N 0 1 315.413 3.804 20 10 DHCDMN COc1c(F)cc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864020463 1034257524 /nfs/dbraw/zinc/25/75/24/1034257524.db2.gz BFKHMOKHIVHHAH-UHFFFAOYSA-N 0 1 301.239 3.569 20 10 DHCDMN CC(=O)Nc1ccc(C)c(NCc2ccc(F)c(F)c2O)c1 ZINC000864018331 1034258810 /nfs/dbraw/zinc/25/88/10/1034258810.db2.gz DCVKSIYBMDVCCD-UHFFFAOYSA-N 0 1 306.312 3.549 20 10 DHCDMN CC1(C)Cc2cc(NCc3ccc(F)c(F)c3O)ccc2O1 ZINC000864029808 1034265209 /nfs/dbraw/zinc/26/52/09/1034265209.db2.gz CYLUTSMPDURHQH-UHFFFAOYSA-N 0 1 305.324 3.996 20 10 DHCDMN Cc1ccn(-c2ccc(NCc3ccc(F)c(F)c3O)cc2)n1 ZINC000864036630 1034270044 /nfs/dbraw/zinc/27/00/44/1034270044.db2.gz UGTOYYHHSMGFIB-UHFFFAOYSA-N 0 1 315.323 3.777 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@@H](c3cccs3)C1)CCC2 ZINC000128444160 1034344716 /nfs/dbraw/zinc/34/47/16/1034344716.db2.gz OFSWPVOAXVPUBI-QGZVFWFLSA-N 0 1 315.438 3.516 20 10 DHCDMN Cc1nc(C(F)(F)F)c(CN(C)Cc2ccccc2O)s1 ZINC000183611799 1034404533 /nfs/dbraw/zinc/40/45/33/1034404533.db2.gz UYKIBGFGVIHZMC-UHFFFAOYSA-N 0 1 316.348 3.808 20 10 DHCDMN CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1nc(C)cs1 ZINC000184392813 1034470236 /nfs/dbraw/zinc/47/02/36/1034470236.db2.gz XBPLDCURFYWQRV-AWEZNQCLSA-N 0 1 322.405 3.740 20 10 DHCDMN COc1cc(Cl)cc(CN(C)[C@@H](C)c2cccnc2)c1O ZINC000184744990 1034498487 /nfs/dbraw/zinc/49/84/87/1034498487.db2.gz MPNCOCLQVYEHEL-NSHDSACASA-N 0 1 306.793 3.642 20 10 DHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000184845457 1034505127 /nfs/dbraw/zinc/50/51/27/1034505127.db2.gz PIUKPSLFYJBRTH-GHMZBOCLSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000184944258 1034516027 /nfs/dbraw/zinc/51/60/27/1034516027.db2.gz ODVIQVPHGKWQOL-QFYYESIMSA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185525178 1034554932 /nfs/dbraw/zinc/55/49/32/1034554932.db2.gz MECKTVWSYSCLFS-ZFWWWQNUSA-N 0 1 319.832 3.862 20 10 DHCDMN Cc1cc(Nc2cc(Br)cc(Cl)c2[O-])cc[nH+]1 ZINC001174660454 1034559946 /nfs/dbraw/zinc/55/99/46/1034559946.db2.gz MBNHNNZUPIRJAG-UHFFFAOYSA-N 0 1 313.582 3.677 20 10 DHCDMN CSC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000186080854 1034598887 /nfs/dbraw/zinc/59/88/87/1034598887.db2.gz OTHIGABNRXOROS-NSHDSACASA-N 0 1 315.866 3.608 20 10 DHCDMN COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187836864 1034737775 /nfs/dbraw/zinc/73/77/75/1034737775.db2.gz RWPPADTVLTWRQQ-SECBINFHSA-N 0 1 309.312 3.861 20 10 DHCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000777438655 1034742767 /nfs/dbraw/zinc/74/27/67/1034742767.db2.gz ADZZDHPLYMIMQJ-MRXNPFEDSA-N 0 1 309.837 3.745 20 10 DHCDMN COc1cccc(CN2CCc3ccc(Cl)cc3C2)c1O ZINC000093838254 1035335523 /nfs/dbraw/zinc/33/55/23/1035335523.db2.gz IVSKAPCDEKZWME-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)c(Cl)c1 ZINC001177278136 1035362739 /nfs/dbraw/zinc/36/27/39/1035362739.db2.gz RZUAPJAGRCYLCF-UONOGXRCSA-N 0 1 310.869 3.707 20 10 DHCDMN CC(C)n1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC001177799948 1035393775 /nfs/dbraw/zinc/39/37/75/1035393775.db2.gz OOKMPIWIRODBAK-ZDUSSCGKSA-N 0 1 304.413 3.520 20 10 DHCDMN CC(C)C([NH2+]Cc1c([O-])cccc1Br)C(C)C ZINC001178125001 1035411974 /nfs/dbraw/zinc/41/19/74/1035411974.db2.gz QQVCXNPDVIGQAB-UHFFFAOYSA-N 0 1 300.240 3.925 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2O)C1(C)C ZINC001179898458 1035520039 /nfs/dbraw/zinc/52/00/39/1035520039.db2.gz OAPBQKCYBYLPQE-CVEARBPZSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898458 1035520050 /nfs/dbraw/zinc/52/00/50/1035520050.db2.gz OAPBQKCYBYLPQE-CVEARBPZSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898458 1035520064 /nfs/dbraw/zinc/52/00/64/1035520064.db2.gz OAPBQKCYBYLPQE-CVEARBPZSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898461 1035523361 /nfs/dbraw/zinc/52/33/61/1035523361.db2.gz OAPBQKCYBYLPQE-JKSUJKDBSA-N 0 1 311.853 3.989 20 10 DHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1(C)C ZINC001179898461 1035523368 /nfs/dbraw/zinc/52/33/68/1035523368.db2.gz OAPBQKCYBYLPQE-JKSUJKDBSA-N 0 1 311.853 3.989 20 10 DHCDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001180142294 1035599021 /nfs/dbraw/zinc/59/90/21/1035599021.db2.gz MGMNRBPIPHVVJZ-CHWSQXEVSA-N 0 1 301.402 3.776 20 10 DHCDMN Cc1ccccc1OCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001180162292 1035614437 /nfs/dbraw/zinc/61/44/37/1035614437.db2.gz ZKPXCCNBIFMTBD-UHFFFAOYSA-N 0 1 321.367 3.880 20 10 DHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC001193611924 1035677693 /nfs/dbraw/zinc/67/76/93/1035677693.db2.gz JQTFRRDPDWROAX-CQSZACIVSA-N 0 1 317.772 3.511 20 10 DHCDMN O=C(Nc1ccccc1C(F)F)c1cc(O)c(O)c(Cl)c1 ZINC001193612717 1035678581 /nfs/dbraw/zinc/67/85/81/1035678581.db2.gz RVYQWHPYENGZBW-UHFFFAOYSA-N 0 1 313.687 3.941 20 10 DHCDMN C[C@@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC(C)(C)C1 ZINC001193625016 1035681038 /nfs/dbraw/zinc/68/10/38/1035681038.db2.gz CVXAEVZHCDRJAI-MWLCHTKSSA-N 0 1 311.809 3.696 20 10 DHCDMN Cc1ccccc1C(C)(C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193633889 1035684413 /nfs/dbraw/zinc/68/44/13/1035684413.db2.gz KANQTXVUKHGYHK-UHFFFAOYSA-N 0 1 319.788 3.725 20 10 DHCDMN C[C@H]1CN(C(=O)c2cc(O)c(O)c(Cl)c2)Cc2ccccc21 ZINC001193605861 1035689761 /nfs/dbraw/zinc/68/97/61/1035689761.db2.gz MNFAPGYKAZIKCE-JTQLQIEISA-N 0 1 317.772 3.511 20 10 DHCDMN Oc1ccc(CN2CCC[C@H]2c2ccc(F)cc2F)c(O)c1 ZINC001204280604 1035759275 /nfs/dbraw/zinc/75/92/75/1035759275.db2.gz LJZUSAGZEPHZNK-INIZCTEOSA-N 0 1 305.324 3.713 20 10 DHCDMN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000773963131 1036076678 /nfs/dbraw/zinc/07/66/78/1036076678.db2.gz JJYFYHJRFLTNNL-GOSISDBHSA-N 0 1 323.408 3.515 20 10 DHCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000773963131 1036076698 /nfs/dbraw/zinc/07/66/98/1036076698.db2.gz JJYFYHJRFLTNNL-GOSISDBHSA-N 0 1 323.408 3.515 20 10 DHCDMN COc1cc(CN(C)[C@@H](C)c2ccc(Cl)cc2)cc(O)c1O ZINC001204346726 1036388059 /nfs/dbraw/zinc/38/80/59/1036388059.db2.gz XDVLVXWIIKZPFL-NSHDSACASA-N 0 1 321.804 3.953 20 10 DHCDMN CC(C)(C)C[NH+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)(C)C ZINC000774641885 1036609004 /nfs/dbraw/zinc/60/90/04/1036609004.db2.gz HMOBHQITCULHDR-INIZCTEOSA-N 0 1 321.461 3.712 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299512 1036964118 /nfs/dbraw/zinc/96/41/18/1036964118.db2.gz VLZCXJNUJRKRGO-SECBINFHSA-N 0 1 302.187 3.526 20 10 DHCDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774902199 1037192306 /nfs/dbraw/zinc/19/23/06/1037192306.db2.gz HLSYJRPCVFOZKF-JSGCOSHPSA-N 0 1 322.405 3.710 20 10 DHCDMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774903244 1037192638 /nfs/dbraw/zinc/19/26/38/1037192638.db2.gz JRXPOZSAYJJBMR-TZMCWYRMSA-N 0 1 322.405 3.710 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776009377 1037304028 /nfs/dbraw/zinc/30/40/28/1037304028.db2.gz SGEMZLRNOQFZPE-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN CCO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000775026976 1037430478 /nfs/dbraw/zinc/43/04/78/1037430478.db2.gz CSJWARICODTWTO-KRWDZBQOSA-N 0 1 305.805 3.913 20 10 DHCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001203658381 1037606215 /nfs/dbraw/zinc/60/62/15/1037606215.db2.gz SSOXNAVZDNEXBI-INIZCTEOSA-N 0 1 303.789 3.699 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001203658381 1037606224 /nfs/dbraw/zinc/60/62/24/1037606224.db2.gz SSOXNAVZDNEXBI-INIZCTEOSA-N 0 1 303.789 3.699 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001203658381 1037606229 /nfs/dbraw/zinc/60/62/29/1037606229.db2.gz SSOXNAVZDNEXBI-INIZCTEOSA-N 0 1 303.789 3.699 20 10 DHCDMN Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001203658383 1037607132 /nfs/dbraw/zinc/60/71/32/1037607132.db2.gz SSOXNAVZDNEXBI-MRXNPFEDSA-N 0 1 303.789 3.699 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001203658383 1037607143 /nfs/dbraw/zinc/60/71/43/1037607143.db2.gz SSOXNAVZDNEXBI-MRXNPFEDSA-N 0 1 303.789 3.699 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001203658383 1037607150 /nfs/dbraw/zinc/60/71/50/1037607150.db2.gz SSOXNAVZDNEXBI-MRXNPFEDSA-N 0 1 303.789 3.699 20 10 DHCDMN CCOc1ccccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000776173807 1037678521 /nfs/dbraw/zinc/67/85/21/1037678521.db2.gz NLLFTVPFYLCDJY-UHFFFAOYSA-N 0 1 305.805 3.777 20 10 DHCDMN Cc1ccc(O)c(CNCc2nc3cccc(Cl)c3n2C)c1 ZINC000775318877 1038211663 /nfs/dbraw/zinc/21/16/63/1038211663.db2.gz MCJJNCHDTRJCHX-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN CC[C@H](NCc1nc(C)c2ccccc2n1)c1ccccc1O ZINC000775414968 1038392766 /nfs/dbraw/zinc/39/27/66/1038392766.db2.gz MWFSNWNMGOFTQS-INIZCTEOSA-N 0 1 307.397 3.885 20 10 DHCDMN CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000775484998 1038542928 /nfs/dbraw/zinc/54/29/28/1038542928.db2.gz LZKYYWDFYSNRRM-HNNXBMFYSA-N 0 1 315.804 3.934 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775483370 1038550391 /nfs/dbraw/zinc/55/03/91/1038550391.db2.gz SJFGIXAYWUXSQI-DOTOQJQBSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507059 1038598398 /nfs/dbraw/zinc/59/83/98/1038598398.db2.gz GWIYHKRQOJCGML-WBVHZDCISA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775510049 1038602636 /nfs/dbraw/zinc/60/26/36/1038602636.db2.gz USPQJKGNALXAER-ZDUSSCGKSA-N 0 1 313.825 3.818 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775536665 1038679138 /nfs/dbraw/zinc/67/91/38/1038679138.db2.gz MQPDUMZDZMIYCK-PWSUYJOCSA-N 0 1 311.731 3.664 20 10 DHCDMN Oc1cccc2c1CN(Cc1cccc(Br)c1)CC2 ZINC001203768466 1038705472 /nfs/dbraw/zinc/70/54/72/1038705472.db2.gz VGAWNQCKYHURGM-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN Cc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])s1 ZINC000226036720 1039311175 /nfs/dbraw/zinc/31/11/75/1039311175.db2.gz VUYMYIYKUHJPGF-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN CC[C@@](C)(NCc1cccc(OC)c1O)c1nc(C)cs1 ZINC000174504661 1040659254 /nfs/dbraw/zinc/65/92/54/1040659254.db2.gz GJPGDMSSPHHPQO-MRXNPFEDSA-N 0 1 306.431 3.581 20 10 DHCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000273427472 130120627 /nfs/dbraw/zinc/12/06/27/130120627.db2.gz UOXQYUUEPXHVFC-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553548 130134871 /nfs/dbraw/zinc/13/48/71/130134871.db2.gz GLGLXFGFAOHNJV-NXEZZACHSA-N 0 1 305.249 3.690 20 10 DHCDMN CO[C@@H](C)c1nc(CN[C@@H](C)c2cc(C)ccc2O)cs1 ZINC000273584265 130140148 /nfs/dbraw/zinc/14/01/48/130140148.db2.gz NIFMTIVLYPFZHE-RYUDHWBXSA-N 0 1 306.431 3.715 20 10 DHCDMN CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(Cl)c1[O-] ZINC000287733405 131297328 /nfs/dbraw/zinc/29/73/28/131297328.db2.gz PGKPZMPSXJDOAU-QGZVFWFLSA-N 0 1 322.880 3.961 20 10 DHCDMN FC(F)Oc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000107828176 333005300 /nfs/dbraw/zinc/00/53/00/333005300.db2.gz RLJARCLVRSVJKG-UHFFFAOYSA-N 0 1 305.324 3.513 20 10 DHCDMN C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000185537418 333370128 /nfs/dbraw/zinc/37/01/28/333370128.db2.gz PYLOPPNOVWVWPS-AWEZNQCLSA-N 0 1 301.430 3.995 20 10 DHCDMN CCOC(CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OCC ZINC000276507728 334080392 /nfs/dbraw/zinc/08/03/92/334080392.db2.gz KFTRVACOLQHJKY-CQSZACIVSA-N 0 1 317.429 3.985 20 10 DHCDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352124752 336195704 /nfs/dbraw/zinc/19/57/04/336195704.db2.gz AWJNQKXLRZLSFP-UHFFFAOYSA-N 0 1 324.428 3.572 20 10 DHCDMN Cc1noc(C2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)n1 ZINC000375236806 337006269 /nfs/dbraw/zinc/00/62/69/337006269.db2.gz JJNAPNPJQBCEKI-PWQPVHBWSA-N 0 1 319.380 3.600 20 10 DHCDMN Cc1cc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)[nH]n1 ZINC000375985266 337024658 /nfs/dbraw/zinc/02/46/58/337024658.db2.gz MAXYSAOHFAYXCE-NSHDSACASA-N 0 1 323.799 3.596 20 10 DHCDMN Cc1cc([C@H]2CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n[nH]1 ZINC000375985266 337024659 /nfs/dbraw/zinc/02/46/59/337024659.db2.gz MAXYSAOHFAYXCE-NSHDSACASA-N 0 1 323.799 3.596 20 10 DHCDMN Cc1cc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n[nH]1 ZINC000375985266 337024660 /nfs/dbraw/zinc/02/46/60/337024660.db2.gz MAXYSAOHFAYXCE-NSHDSACASA-N 0 1 323.799 3.596 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000377694280 337058772 /nfs/dbraw/zinc/05/87/72/337058772.db2.gz IFDVXLDHLNSBMU-MFWIUYSUSA-N 0 1 319.445 3.502 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377836051 337062208 /nfs/dbraw/zinc/06/22/08/337062208.db2.gz YMHQJHJISJEGDS-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186440827 337256167 /nfs/dbraw/zinc/25/61/67/337256167.db2.gz USSHVTQFBGEGRH-GOSISDBHSA-N 0 1 315.800 3.677 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191125051 337294453 /nfs/dbraw/zinc/29/44/53/337294453.db2.gz SFCLTKVUSFJIEI-AWEZNQCLSA-N 0 1 307.752 3.798 20 10 DHCDMN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000248499652 337565809 /nfs/dbraw/zinc/56/58/09/337565809.db2.gz MZAUMMKSDFRHRV-JBZDTAIVSA-N 0 1 319.404 3.854 20 10 DHCDMN CC(C)c1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000181612089 519890179 /nfs/dbraw/zinc/89/01/79/519890179.db2.gz XVTRJEGERHYRON-UHFFFAOYSA-N 0 1 302.161 3.818 20 10 DHCDMN C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000129902120 524642339 /nfs/dbraw/zinc/64/23/39/524642339.db2.gz GBCBRKOHUUHCCL-PXAZEXFGSA-N 0 1 305.805 3.647 20 10 DHCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000182067326 526123716 /nfs/dbraw/zinc/12/37/16/526123716.db2.gz RNRHUBQDUMZJBF-SNVBAGLBSA-N 0 1 321.764 3.542 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129985634 526323665 /nfs/dbraw/zinc/32/36/65/526323665.db2.gz KRGHPBCJCVMFFO-SNVBAGLBSA-N 0 1 316.228 3.700 20 10 DHCDMN CC(C)COC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297833968 535181340 /nfs/dbraw/zinc/18/13/40/535181340.db2.gz RXZDQMDTRKJKPR-HZPDHXFCSA-N 0 1 315.413 3.976 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1[O-] ZINC000287308096 535809019 /nfs/dbraw/zinc/80/90/19/535809019.db2.gz CUQDWZDCDKHYJV-KGLIPLIRSA-N 0 1 305.809 3.887 20 10 DHCDMN Cc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000738382893 599841865 /nfs/dbraw/zinc/84/18/65/599841865.db2.gz ONVMWDBJFBMKIQ-OAHLLOKOSA-N 0 1 319.445 3.827 20 10 DHCDMN Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594398557 958807511 /nfs/dbraw/zinc/80/75/11/958807511.db2.gz XVSVCFSEJTUMGH-LJQANCHMSA-N 0 1 322.408 3.711 20 10 DHCDMN CC(C)[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(N(C)C)cc1 ZINC001588918975 962363181 /nfs/dbraw/zinc/36/31/81/962363181.db2.gz PRIXOFDAJNEPKB-UHFFFAOYSA-N 0 1 318.461 3.608 20 10 DHCDMN COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c(O)c1 ZINC000093008480 1013458860 /nfs/dbraw/zinc/45/88/60/1013458860.db2.gz DJQCGSZAMMPUKL-KRWDZBQOSA-N 0 1 313.397 3.747 20 10 DHCDMN CCCCOC(=O)[C@@H](C)N(Cc1ccccc1O)C1CCCC1 ZINC001167353751 1014032384 /nfs/dbraw/zinc/03/23/84/1014032384.db2.gz NWTDTESJRWCAOA-OAHLLOKOSA-N 0 1 319.445 3.869 20 10 DHCDMN COc1cc(C)cc(CN[C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000895690310 1015257927 /nfs/dbraw/zinc/25/79/27/1015257927.db2.gz FOBCTDGNMPPPDS-WMZOPIPTSA-N 0 1 315.388 3.824 20 10 DHCDMN COc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000895690723 1015258537 /nfs/dbraw/zinc/25/85/37/1015258537.db2.gz KYXFUGWSSPNPQF-WMZOPIPTSA-N 0 1 301.361 3.516 20 10 DHCDMN Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC000896527858 1015613251 /nfs/dbraw/zinc/61/32/51/1015613251.db2.gz IILPRKZYXXPYDQ-AWEZNQCLSA-N 0 1 302.443 3.612 20 10 DHCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](CC)c2ccccc2O)[nH]1 ZINC000277097123 1015871555 /nfs/dbraw/zinc/87/15/55/1015871555.db2.gz GULJBDKSKXWBRT-SCRDCRAPSA-N 0 1 302.422 3.826 20 10 DHCDMN CC[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000277174773 1016007572 /nfs/dbraw/zinc/00/75/72/1016007572.db2.gz SIDNIWKWVXYXTI-NSHDSACASA-N 0 1 320.177 3.993 20 10 DHCDMN Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000184940582 1016453911 /nfs/dbraw/zinc/45/39/11/1016453911.db2.gz SRANVRQQBLVGQR-CYBMUJFWSA-N 0 1 323.440 3.789 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000113326503 1016907179 /nfs/dbraw/zinc/90/71/79/1016907179.db2.gz ACCBXJJEAYBTOD-UHFFFAOYSA-N 0 1 316.832 3.804 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000127103301 1017003411 /nfs/dbraw/zinc/00/34/11/1017003411.db2.gz FXEFFKHXKJCTDY-UHFFFAOYSA-N 0 1 309.837 3.969 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(OC(C)C)nc2)c(Cl)c1 ZINC000840876706 1017253271 /nfs/dbraw/zinc/25/32/71/1017253271.db2.gz SWRMGYWWSCOUAD-UHFFFAOYSA-N 0 1 320.820 3.826 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000185672263 1017093299 /nfs/dbraw/zinc/09/32/99/1017093299.db2.gz CJEOJMHLHDMPBJ-IJEWVQPXSA-N 0 1 310.441 3.821 20 10 DHCDMN Cc1cc([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)[nH]n1 ZINC000282815863 1032496504 /nfs/dbraw/zinc/49/65/04/1032496504.db2.gz AGTABWASJAXBCM-INIZCTEOSA-N 0 1 321.424 3.957 20 10 DHCDMN Cc1cc([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)[nH]n1 ZINC000282815863 1032496508 /nfs/dbraw/zinc/49/65/08/1032496508.db2.gz AGTABWASJAXBCM-INIZCTEOSA-N 0 1 321.424 3.957 20 10 DHCDMN Cc1ccsc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160194184 1011991993 /nfs/dbraw/zinc/99/19/93/1011991993.db2.gz BDCKCJSLFNKDOH-INIZCTEOSA-N 0 1 317.454 3.943 20 10 DHCDMN CCC(CC)c1cc(CNCc2cc(C)cc(OC)c2O)on1 ZINC000894297955 1012269653 /nfs/dbraw/zinc/26/96/53/1012269653.db2.gz HCXLHVGYXJLIEK-UHFFFAOYSA-N 0 1 318.417 3.891 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915519 1017466228 /nfs/dbraw/zinc/46/62/28/1017466228.db2.gz CLLABNAXTRKAIQ-KRWDZBQOSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915519 1017466249 /nfs/dbraw/zinc/46/62/49/1017466249.db2.gz CLLABNAXTRKAIQ-KRWDZBQOSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915520 1017467771 /nfs/dbraw/zinc/46/77/71/1017467771.db2.gz CLLABNAXTRKAIQ-QGZVFWFLSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000840915520 1017467776 /nfs/dbraw/zinc/46/77/76/1017467776.db2.gz CLLABNAXTRKAIQ-QGZVFWFLSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC2([C@@H](C)CCO)CCC2)c(Cl)c1 ZINC000840937742 1017516837 /nfs/dbraw/zinc/51/68/37/1017516837.db2.gz WYLALELYIWZPGS-ZDUSSCGKSA-N 0 1 311.853 3.632 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC2([C@H](C)CCO)CCC2)c(Cl)c1 ZINC000840937740 1017517128 /nfs/dbraw/zinc/51/71/28/1017517128.db2.gz WYLALELYIWZPGS-CYBMUJFWSA-N 0 1 311.853 3.632 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCCCC1 ZINC000021815334 1017957043 /nfs/dbraw/zinc/95/70/43/1017957043.db2.gz RCIIJRBRGNPLDD-UHFFFAOYSA-N 0 1 317.260 3.665 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278419322 1018676922 /nfs/dbraw/zinc/67/69/22/1018676922.db2.gz RFUQKYYKCKIENQ-SECBINFHSA-N 0 1 323.742 3.829 20 10 DHCDMN Clc1ccsc1CNCc1ccc(N2CCOCC2)cc1 ZINC000278492714 1018746940 /nfs/dbraw/zinc/74/69/40/1018746940.db2.gz MGVJLVJOEASYGA-UHFFFAOYSA-N 0 1 322.861 3.528 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921746771 1018752433 /nfs/dbraw/zinc/75/24/33/1018752433.db2.gz HZXCIEQWPATZDK-UHFFFAOYSA-N 0 1 318.852 3.605 20 10 DHCDMN CC1(C)[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1(F)F ZINC000858193385 1032797400 /nfs/dbraw/zinc/79/74/00/1032797400.db2.gz XAZPIFCPWMFOLV-NSHDSACASA-N 0 1 320.177 3.536 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715719890 1018957226 /nfs/dbraw/zinc/95/72/26/1018957226.db2.gz VOAOOJGOXKQTGD-JTQLQIEISA-N 0 1 316.214 3.916 20 10 DHCDMN Cc1noc(C)c1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052916852 1019053817 /nfs/dbraw/zinc/05/38/17/1019053817.db2.gz LAQCXCTUYCOZNH-UHFFFAOYSA-N 0 1 313.445 3.914 20 10 DHCDMN CCCN(CC(=O)Nc1cccc(C)c1)Cc1ccccc1O ZINC000727831058 1019817635 /nfs/dbraw/zinc/81/76/35/1019817635.db2.gz FVRBBYJEMPWZDH-UHFFFAOYSA-N 0 1 312.413 3.551 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2scnc21 ZINC000858363923 1032864185 /nfs/dbraw/zinc/86/41/85/1032864185.db2.gz AUMRHRCYUFMOJJ-OAHLLOKOSA-N 0 1 301.459 3.685 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676901 1020208877 /nfs/dbraw/zinc/20/88/77/1020208877.db2.gz DBQLCWNQDWQPSR-YPMHNXCESA-N 0 1 323.742 3.635 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCS1 ZINC000922842501 1020298960 /nfs/dbraw/zinc/29/89/60/1020298960.db2.gz MLKNNBXHAQTEPW-SKDRFNHKSA-N 0 1 316.264 3.528 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOc1ccccc1F ZINC000733324667 1020372184 /nfs/dbraw/zinc/37/21/84/1020372184.db2.gz RPVBEVCMFSPFRK-UHFFFAOYSA-N 0 1 309.768 3.743 20 10 DHCDMN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000733331624 1020377956 /nfs/dbraw/zinc/37/79/56/1020377956.db2.gz FKFZTOWCPPJGNU-AWEZNQCLSA-N 0 1 319.788 3.668 20 10 DHCDMN OCCC[N@@H+](Cc1ccccc1O)[C@H]1CCCc2ccccc21 ZINC000179581448 1020410702 /nfs/dbraw/zinc/41/07/02/1020410702.db2.gz SMRSAUWKJLKGBE-IBGZPJMESA-N 0 1 311.425 3.654 20 10 DHCDMN CC(C)C[C@@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000733790217 1020445818 /nfs/dbraw/zinc/44/58/18/1020445818.db2.gz HMQBKGKWVSHHAX-MRXNPFEDSA-N 0 1 321.461 3.642 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCOc2ccc(F)cc21 ZINC000766030749 1020494357 /nfs/dbraw/zinc/49/43/57/1020494357.db2.gz XAKOYXTZGJRAQP-SFHVURJKSA-N 0 1 314.404 3.814 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000858543441 1032937370 /nfs/dbraw/zinc/93/73/70/1032937370.db2.gz SLXVCCJXAHBROL-HNNXBMFYSA-N 0 1 306.413 3.735 20 10 DHCDMN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000917428766 1021266490 /nfs/dbraw/zinc/26/64/90/1021266490.db2.gz XKNSMJPPPRAJBV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000917428766 1021266498 /nfs/dbraw/zinc/26/64/98/1021266498.db2.gz XKNSMJPPPRAJBV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1CO[C@@H](C)CN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000917428766 1021266504 /nfs/dbraw/zinc/26/65/04/1021266504.db2.gz XKNSMJPPPRAJBV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN COc1ccc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000918021582 1021421761 /nfs/dbraw/zinc/42/17/61/1021421761.db2.gz BGRMMPPWJMOPTG-HNNXBMFYSA-N 0 1 314.404 3.718 20 10 DHCDMN C[C@]1(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1(F)F ZINC000850380287 1021498847 /nfs/dbraw/zinc/49/88/47/1021498847.db2.gz DLBYLQRVNABQQO-LBPRGKRZSA-N 0 1 320.177 3.680 20 10 DHCDMN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140924048 1021501242 /nfs/dbraw/zinc/50/12/42/1021501242.db2.gz BRTKMDSQRXKMRX-NSHDSACASA-N 0 1 306.759 3.790 20 10 DHCDMN C[C@@H]([NH2+]CCc1ccoc1)c1ccc(Br)cc1[O-] ZINC000850530810 1021584096 /nfs/dbraw/zinc/58/40/96/1021584096.db2.gz DEYGKAVBMIXOAY-SNVBAGLBSA-N 0 1 310.191 3.641 20 10 DHCDMN CC[C@H](NCc1nccc(OC)c1F)c1cc(Cl)ccc1O ZINC000850538250 1021593524 /nfs/dbraw/zinc/59/35/24/1021593524.db2.gz XBBUYBBTKMPWPA-LBPRGKRZSA-N 0 1 324.783 3.829 20 10 DHCDMN CC[C@H]([NH2+]CC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850561334 1021606227 /nfs/dbraw/zinc/60/62/27/1021606227.db2.gz NTGXDOXJICJPCF-NSHDSACASA-N 0 1 303.880 3.892 20 10 DHCDMN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850583242 1021622290 /nfs/dbraw/zinc/62/22/90/1021622290.db2.gz KCFUWMZWVGXIKJ-NVGCLXPQSA-N 0 1 305.805 3.818 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2nc3cc(F)ccc3o2)c1 ZINC000182371436 1021623772 /nfs/dbraw/zinc/62/37/72/1021623772.db2.gz RHGXFDHICWDJGA-JTQLQIEISA-N 0 1 316.332 3.532 20 10 DHCDMN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850585200 1021625285 /nfs/dbraw/zinc/62/52/85/1021625285.db2.gz WYPNYXCFUBYWPI-JKDFXYPNSA-N 0 1 305.805 3.818 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1Cl ZINC000825542795 1021658867 /nfs/dbraw/zinc/65/88/67/1021658867.db2.gz AHIMJEKXCJAQAP-UHFFFAOYSA-N 0 1 319.832 3.871 20 10 DHCDMN CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000024034647 1021701502 /nfs/dbraw/zinc/70/15/02/1021701502.db2.gz WFSRQFLYIQWQIK-CQSZACIVSA-N 0 1 323.179 3.577 20 10 DHCDMN C[C@H](C(=O)Nc1ccccc1Cl)N(C)Cc1ccccc1O ZINC000109772975 1021746362 /nfs/dbraw/zinc/74/63/62/1021746362.db2.gz QKGKTVPTMOURMJ-GFCCVEGCSA-N 0 1 318.804 3.505 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccnc1Cl ZINC000122696318 1021951207 /nfs/dbraw/zinc/95/12/07/1021951207.db2.gz JQZXXMGXSDKOQU-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN CCc1cc(CN2CCO[C@@H](CC)C2)c(O)c(C(C)(C)C)c1 ZINC000919939926 1021975785 /nfs/dbraw/zinc/97/57/85/1021975785.db2.gz KPMOQGNHUUYEOJ-INIZCTEOSA-N 0 1 305.462 3.863 20 10 DHCDMN COc1cc(C)cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1O ZINC000853544647 1022289701 /nfs/dbraw/zinc/28/97/01/1022289701.db2.gz XRRJAOBXIZDLPG-INIZCTEOSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(C)cc(CN2CC[C@H]2c2ccc(F)cc2)c1O ZINC000853544647 1022289708 /nfs/dbraw/zinc/28/97/08/1022289708.db2.gz XRRJAOBXIZDLPG-INIZCTEOSA-N 0 1 301.361 3.795 20 10 DHCDMN C[C@H]1c2ccccc2OCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853630175 1022300981 /nfs/dbraw/zinc/30/09/81/1022300981.db2.gz DCJHGVXJQDUIIS-AWEZNQCLSA-N 0 1 320.392 3.896 20 10 DHCDMN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853630175 1022300998 /nfs/dbraw/zinc/30/09/98/1022300998.db2.gz DCJHGVXJQDUIIS-AWEZNQCLSA-N 0 1 320.392 3.896 20 10 DHCDMN C[C@@H]1c2cccn2CCN1Cc1cccc(Br)c1O ZINC000179566971 1022473153 /nfs/dbraw/zinc/47/31/53/1022473153.db2.gz VYNYVOYGBFUXJQ-LLVKDONJSA-N 0 1 321.218 3.533 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854473549 1022478213 /nfs/dbraw/zinc/47/82/13/1022478213.db2.gz BCIOAEUMEQBUGH-FXAINCCUSA-N 0 1 314.212 3.751 20 10 DHCDMN Cc1cc(CN2CCO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776770419 1022558162 /nfs/dbraw/zinc/55/81/62/1022558162.db2.gz APVRDSCIQRISSH-KRWDZBQOSA-N 0 1 303.446 3.609 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CCO[C@H](C3CC3)C1)oc1ccccc12 ZINC000776772736 1022560590 /nfs/dbraw/zinc/56/05/90/1022560590.db2.gz PQHNYUVCADIRQT-FQEVSTJZSA-N 0 1 323.392 3.902 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CCO[C@H](C3CC3)C1)oc1ccccc12 ZINC000776772736 1022560600 /nfs/dbraw/zinc/56/06/00/1022560600.db2.gz PQHNYUVCADIRQT-FQEVSTJZSA-N 0 1 323.392 3.902 20 10 DHCDMN CC[C@H]([NH2+]CCSC)c1cc(Br)ccc1[O-] ZINC000068994272 1022854084 /nfs/dbraw/zinc/85/40/84/1022854084.db2.gz YCRCWFBRVUFKIU-NSHDSACASA-N 0 1 304.253 3.558 20 10 DHCDMN COc1ccsc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258196 1022936992 /nfs/dbraw/zinc/93/69/92/1022936992.db2.gz TUJNAOKNSJDWPP-UHFFFAOYSA-N 0 1 316.470 3.987 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c2c1c(F)ccc2[O-] ZINC000768295463 1022942129 /nfs/dbraw/zinc/94/21/29/1022942129.db2.gz SJOJDYOQTHWZLM-NRYBGFRQSA-N 0 1 319.420 3.874 20 10 DHCDMN COc1cccc(O)c1CN(Cc1ccccc1F)C(C)C ZINC000768335556 1022946572 /nfs/dbraw/zinc/94/65/72/1022946572.db2.gz XKRGTDKJMNYEMW-UHFFFAOYSA-N 0 1 303.377 3.951 20 10 DHCDMN CC(C)CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768439989 1022965558 /nfs/dbraw/zinc/96/55/58/1022965558.db2.gz MTTGNMVOEORXQV-GOSISDBHSA-N 0 1 319.445 3.609 20 10 DHCDMN CC(C)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768439989 1022965567 /nfs/dbraw/zinc/96/55/67/1022965567.db2.gz MTTGNMVOEORXQV-GOSISDBHSA-N 0 1 319.445 3.609 20 10 DHCDMN CC(C)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768439989 1022965578 /nfs/dbraw/zinc/96/55/78/1022965578.db2.gz MTTGNMVOEORXQV-GOSISDBHSA-N 0 1 319.445 3.609 20 10 DHCDMN C[C@H](C1CC1)[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768532871 1022983144 /nfs/dbraw/zinc/98/31/44/1022983144.db2.gz PNBOAMUTNPTZGR-SNVBAGLBSA-N 0 1 310.235 3.918 20 10 DHCDMN C[C@H](C1CC1)[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000768532871 1022983152 /nfs/dbraw/zinc/98/31/52/1022983152.db2.gz PNBOAMUTNPTZGR-SNVBAGLBSA-N 0 1 310.235 3.918 20 10 DHCDMN Oc1ccc(CNc2cc(OCc3ccccc3)ccn2)cc1O ZINC001169993816 1022990158 /nfs/dbraw/zinc/99/01/58/1022990158.db2.gz UJKBHUFFJPSDMT-UHFFFAOYSA-N 0 1 322.364 3.684 20 10 DHCDMN CN(Cc1cccc(OC(C)(C)C)n1)Cc1ccccc1O ZINC000768728766 1023016377 /nfs/dbraw/zinc/01/63/77/1023016377.db2.gz VKQLDTGQAAVPEC-UHFFFAOYSA-N 0 1 300.402 3.597 20 10 DHCDMN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914259 1023054806 /nfs/dbraw/zinc/05/48/06/1023054806.db2.gz UPPLFUDZKMDQNX-RBSFLKMASA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1ccc(N(C)C)cc1 ZINC000769311204 1023119286 /nfs/dbraw/zinc/11/92/86/1023119286.db2.gz ZQJZTBKKOYPINN-JXFKEZNVSA-N 0 1 310.441 3.715 20 10 DHCDMN Oc1ccccc1C[N@@H+](CCO[C@H]1CCCCO1)C1CCCC1 ZINC000769726159 1023200599 /nfs/dbraw/zinc/20/05/99/1023200599.db2.gz RRGFYRHIQABZTJ-IBGZPJMESA-N 0 1 319.445 3.680 20 10 DHCDMN COc1ccc(N2CCN(Cc3ccc(C)s3)CC2)cc1F ZINC000770300992 1023294252 /nfs/dbraw/zinc/29/42/52/1023294252.db2.gz JXTMBVUSIAMEDC-UHFFFAOYSA-N 0 1 320.433 3.526 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000756710491 1023550424 /nfs/dbraw/zinc/55/04/24/1023550424.db2.gz CREMNAGDRJQJTH-MEBBXXQBSA-N 0 1 309.768 3.569 20 10 DHCDMN COc1ccc(N(Cc2cn[nH]c2C)Cc2ccccc2)cc1 ZINC000772602205 1023578727 /nfs/dbraw/zinc/57/87/27/1023578727.db2.gz XDRJGFMLYWZDIR-UHFFFAOYSA-N 0 1 307.397 3.934 20 10 DHCDMN Oc1ccc2ccncc2c1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000756912394 1024384894 /nfs/dbraw/zinc/38/48/94/1024384894.db2.gz XMBOYIYCDUYEQR-UHFFFAOYSA-N 0 1 308.303 3.635 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000756912394 1024384903 /nfs/dbraw/zinc/38/49/03/1024384903.db2.gz XMBOYIYCDUYEQR-UHFFFAOYSA-N 0 1 308.303 3.635 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000756912394 1024384922 /nfs/dbraw/zinc/38/49/22/1024384922.db2.gz XMBOYIYCDUYEQR-UHFFFAOYSA-N 0 1 308.303 3.635 20 10 DHCDMN COc1cc(O)c(CN2CCc3sccc3[C@@H]2C)cc1OC ZINC000271114131 1024456974 /nfs/dbraw/zinc/45/69/74/1024456974.db2.gz VRFKMSRTCVBSNN-NSHDSACASA-N 0 1 319.426 3.590 20 10 DHCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825933572 1033223050 /nfs/dbraw/zinc/22/30/50/1033223050.db2.gz ADWQVHLRCXUVEZ-LLVKDONJSA-N 0 1 321.804 3.919 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792156816 1024637397 /nfs/dbraw/zinc/63/73/97/1024637397.db2.gz NWUFXNIAVYTOCA-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000792163212 1024638369 /nfs/dbraw/zinc/63/83/69/1024638369.db2.gz WORZKRJZPDSEBQ-MRXNPFEDSA-N 0 1 321.779 3.758 20 10 DHCDMN CCOc1cccc(CNC2(c3nccs3)CCCC2)c1O ZINC000116374233 1024859223 /nfs/dbraw/zinc/85/92/23/1024859223.db2.gz QPQDPCXXNXQKLZ-UHFFFAOYSA-N 0 1 318.442 3.807 20 10 DHCDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000134787512 1033244057 /nfs/dbraw/zinc/24/40/57/1033244057.db2.gz ANEFTEXOMBKMCO-LVLWZLKYSA-N 0 1 307.821 3.654 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231132 1024943205 /nfs/dbraw/zinc/94/32/05/1024943205.db2.gz LBSHKBYRJIVZOH-ZYHUDNBSSA-N 0 1 304.331 3.664 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000793231132 1024943214 /nfs/dbraw/zinc/94/32/14/1024943214.db2.gz LBSHKBYRJIVZOH-ZYHUDNBSSA-N 0 1 304.331 3.664 20 10 DHCDMN COc1cccc(O)c1CNc1ccc(CN(C)C)c(Cl)c1 ZINC000793337153 1024995314 /nfs/dbraw/zinc/99/53/14/1024995314.db2.gz CZIGMMUHOLHHKM-UHFFFAOYSA-N 0 1 320.820 3.728 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172551 1025007995 /nfs/dbraw/zinc/00/79/95/1025007995.db2.gz MNVOLRLYCCQEOP-SMDDNHRTSA-N 0 1 310.235 3.919 20 10 DHCDMN Cc1cccnc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279785581 1025263883 /nfs/dbraw/zinc/26/38/83/1025263883.db2.gz CJQSCVPMTCTAQW-UHFFFAOYSA-N 0 1 323.362 3.765 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008525 1025436430 /nfs/dbraw/zinc/43/64/30/1025436430.db2.gz OPNDKYWPYOMSHL-QFBILLFUSA-N 0 1 301.430 3.563 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008525 1025436431 /nfs/dbraw/zinc/43/64/31/1025436431.db2.gz OPNDKYWPYOMSHL-QFBILLFUSA-N 0 1 301.430 3.563 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1OC ZINC001143536703 1025554502 /nfs/dbraw/zinc/55/45/02/1025554502.db2.gz FIUFLJDYMOMSMV-UHFFFAOYSA-N 0 1 316.420 3.922 20 10 DHCDMN CC[C@H]([NH2+]CCCN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128171 1025791653 /nfs/dbraw/zinc/79/16/53/1025791653.db2.gz GXMHVDZURZPWQZ-ZDUSSCGKSA-N 0 1 305.249 3.691 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2ccncc21 ZINC000806557768 1025922552 /nfs/dbraw/zinc/92/25/52/1025922552.db2.gz ICYSHPHDLUVWAZ-UHFFFAOYSA-N 0 1 321.167 3.649 20 10 DHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000807833751 1026129812 /nfs/dbraw/zinc/12/98/12/1026129812.db2.gz FCIMAODKIJKKRL-UHFFFAOYSA-N 0 1 316.209 3.999 20 10 DHCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000289669645 1026122446 /nfs/dbraw/zinc/12/24/46/1026122446.db2.gz FVKPTJIGQYMERW-HNNXBMFYSA-N 0 1 323.408 3.513 20 10 DHCDMN CC[C@H](C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839966 1026124885 /nfs/dbraw/zinc/12/48/85/1026124885.db2.gz NZQGTESLVJQYKE-DTWKUNHWSA-N 0 1 304.217 3.997 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000807836560 1026129343 /nfs/dbraw/zinc/12/93/43/1026129343.db2.gz FNJABKGMVVNFRR-UHFFFAOYSA-N 0 1 302.182 3.691 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1Cc2ccccc21 ZINC000807838126 1026131863 /nfs/dbraw/zinc/13/18/63/1026131863.db2.gz KSQKMMIPPDRRMF-CYBMUJFWSA-N 0 1 322.191 3.655 20 10 DHCDMN O=C1CCc2nc(NCc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000808089947 1026202142 /nfs/dbraw/zinc/20/21/42/1026202142.db2.gz NNSWWYLRJWLCCW-UHFFFAOYSA-N 0 1 323.179 3.835 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)NCc2cn3ccsc3n2)c1O ZINC000808682921 1026346931 /nfs/dbraw/zinc/34/69/31/1026346931.db2.gz ZGPHAPPXHGNWIW-JTQLQIEISA-N 0 1 321.833 3.914 20 10 DHCDMN COc1cc(C)cc(CNCc2nc(C(C)(C)C)cs2)c1O ZINC000894236589 1026564023 /nfs/dbraw/zinc/56/40/23/1026564023.db2.gz CAJNULRZVHJQEI-UHFFFAOYSA-N 0 1 320.458 3.753 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000280066240 1026581708 /nfs/dbraw/zinc/58/17/08/1026581708.db2.gz LTLULFYMBUDHSD-ZJUUUORDSA-N 0 1 316.264 3.558 20 10 DHCDMN CC[N@@H+](Cc1ccncc1)Cc1cccc(Br)c1[O-] ZINC000809727379 1026594580 /nfs/dbraw/zinc/59/45/80/1026594580.db2.gz YCAHQOZEOAFALF-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729667 1026595074 /nfs/dbraw/zinc/59/50/74/1026595074.db2.gz WSSIIHBBFQETKF-AWEZNQCLSA-N 0 1 306.768 3.917 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809768329 1026605848 /nfs/dbraw/zinc/60/58/48/1026605848.db2.gz IBUVXYGSICOUKM-AWEZNQCLSA-N 0 1 323.799 3.862 20 10 DHCDMN COc1cccc(C2(C[NH2+]Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000810157326 1026697971 /nfs/dbraw/zinc/69/79/71/1026697971.db2.gz PJSURKAKAVHYCI-UHFFFAOYSA-N 0 1 317.816 3.876 20 10 DHCDMN CC[C@@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211368 1026707128 /nfs/dbraw/zinc/70/71/28/1026707128.db2.gz QDEJNSSEIXFBAO-CYBMUJFWSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214721 1026709412 /nfs/dbraw/zinc/70/94/12/1026709412.db2.gz HIGFQXWJSGZYKM-GWCFXTLKSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218931 1026709520 /nfs/dbraw/zinc/70/95/20/1026709520.db2.gz MAWXEOIHDSLGOQ-CYBMUJFWSA-N 0 1 313.323 3.683 20 10 DHCDMN CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217379 1026710490 /nfs/dbraw/zinc/71/04/90/1026710490.db2.gz CFQDYJBCXCMCNU-YPMHNXCESA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218866 1026710528 /nfs/dbraw/zinc/71/05/28/1026710528.db2.gz DUYNTHWJQIRRQP-ZIAGYGMSSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+]CC(C)(C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224033 1026712022 /nfs/dbraw/zinc/71/20/22/1026712022.db2.gz RBOVRFFACYQMER-GFCCVEGCSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H](NCc1ccon1)c1ccc(C(F)(F)F)cc1O ZINC000810221272 1026712125 /nfs/dbraw/zinc/71/21/25/1026712125.db2.gz MZINUVNDHPCZPO-GFCCVEGCSA-N 0 1 300.280 3.640 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226798 1026713285 /nfs/dbraw/zinc/71/32/85/1026713285.db2.gz LOJZZVIOKUDXKL-KBPBESRZSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C1(COC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810232473 1026715194 /nfs/dbraw/zinc/71/51/94/1026715194.db2.gz GUTAJAQYUWEIHC-GFCCVEGCSA-N 0 1 303.324 3.631 20 10 DHCDMN COc1ncccc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000810261339 1026722793 /nfs/dbraw/zinc/72/27/93/1026722793.db2.gz VDBURXGIOLZFKF-CQSZACIVSA-N 0 1 322.408 3.842 20 10 DHCDMN CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239872 1026725333 /nfs/dbraw/zinc/72/53/33/1026725333.db2.gz ITKYPGAXBJUIDJ-CQSZACIVSA-N 0 1 315.335 3.798 20 10 DHCDMN CC[C@H]([NH2+]CCC1CC(O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238991 1026725353 /nfs/dbraw/zinc/72/53/53/1026725353.db2.gz UWVGPYACNHEJOH-OVGLSYRBSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000811511525 1027026511 /nfs/dbraw/zinc/02/65/11/1027026511.db2.gz LOJUJTARDCLIOM-CYBMUJFWSA-N 0 1 315.816 3.964 20 10 DHCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC(C)(C)C1 ZINC000811510992 1027026838 /nfs/dbraw/zinc/02/68/38/1027026838.db2.gz BRNXCYNMPDSFDC-LLVKDONJSA-N 0 1 315.816 3.964 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513652 1027028260 /nfs/dbraw/zinc/02/82/60/1027028260.db2.gz LUERBGNZBPAYJA-HNNXBMFYSA-N 0 1 322.246 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513574 1027028861 /nfs/dbraw/zinc/02/88/61/1027028861.db2.gz KMBBPXNAZBWVOS-OAHLLOKOSA-N 0 1 322.246 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513574 1027028868 /nfs/dbraw/zinc/02/88/68/1027028868.db2.gz KMBBPXNAZBWVOS-OAHLLOKOSA-N 0 1 322.246 3.919 20 10 DHCDMN COC1CCN(c2ccc(CN3CCC[C@@](C)(F)C3)cc2)CC1 ZINC000295301655 1027187105 /nfs/dbraw/zinc/18/71/05/1027187105.db2.gz FHYBRKMPXYLPAU-LJQANCHMSA-N 0 1 320.452 3.626 20 10 DHCDMN C[C@H](c1ccccc1)N(Cc1cncn1C)Cc1ccccc1O ZINC000272011388 1027203441 /nfs/dbraw/zinc/20/34/41/1027203441.db2.gz JXSAHZIEIBFCPP-MRXNPFEDSA-N 0 1 321.424 3.889 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000295341118 1027209573 /nfs/dbraw/zinc/20/95/73/1027209573.db2.gz MRVCPAPYQVWCDC-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN CCc1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)cs1 ZINC000894276086 1027323848 /nfs/dbraw/zinc/32/38/48/1027323848.db2.gz OGHIMBWLCOZANK-LLVKDONJSA-N 0 1 306.431 3.579 20 10 DHCDMN COCC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000778120145 1027606740 /nfs/dbraw/zinc/60/67/40/1027606740.db2.gz CTNMJZJLSKDPFO-AWEZNQCLSA-N 0 1 309.793 3.814 20 10 DHCDMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)c1 ZINC000779000079 1027757595 /nfs/dbraw/zinc/75/75/95/1027757595.db2.gz PCXNJHBJIBGIEK-QGZVFWFLSA-N 0 1 315.388 3.747 20 10 DHCDMN CC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000779044276 1028021140 /nfs/dbraw/zinc/02/11/40/1028021140.db2.gz OQBNMVBIUJUDPJ-KRWDZBQOSA-N 0 1 313.420 3.844 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000528003396 1028028472 /nfs/dbraw/zinc/02/84/72/1028028472.db2.gz SESVYJFRPBWLIK-IUODEOHRSA-N 0 1 308.853 3.713 20 10 DHCDMN Cc1cc(CN(C)Cc2cnc(C(C)C)nc2)ccc1N(C)C ZINC000815107195 1028379182 /nfs/dbraw/zinc/37/91/82/1028379182.db2.gz IFZXQTJDCDHVGX-UHFFFAOYSA-N 0 1 312.461 3.606 20 10 DHCDMN CCN(C)c1ccc(CN(C)Cc2cnc(C(C)C)nc2)cc1 ZINC000815107902 1028379410 /nfs/dbraw/zinc/37/94/10/1028379410.db2.gz OLRWECAPJNLUEV-UHFFFAOYSA-N 0 1 312.461 3.688 20 10 DHCDMN CC(C)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000779149181 1028439950 /nfs/dbraw/zinc/43/99/50/1028439950.db2.gz BPTUQMSVPOUFMS-IBGZPJMESA-N 0 1 302.462 3.534 20 10 DHCDMN Oc1ccccc1C[N@@H+](Cc1cncc(F)c1)C1CCCC1 ZINC000779157943 1028469493 /nfs/dbraw/zinc/46/94/93/1028469493.db2.gz WHXYJDSMJVWZCX-UHFFFAOYSA-N 0 1 300.377 3.871 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000369596838 1028505765 /nfs/dbraw/zinc/50/57/65/1028505765.db2.gz LDBIVVAXUVZWMU-BFYDXBDKSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000369596838 1028505775 /nfs/dbraw/zinc/50/57/75/1028505775.db2.gz LDBIVVAXUVZWMU-BFYDXBDKSA-N 0 1 309.837 3.561 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ccncc2OC)cc1 ZINC000188783501 1028530138 /nfs/dbraw/zinc/53/01/38/1028530138.db2.gz SUEPTRUDBQWVSA-CABCVRRESA-N 0 1 313.445 3.958 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cnccc1OC)c1cc(Cl)ccc1[O-] ZINC000815629725 1028580429 /nfs/dbraw/zinc/58/04/29/1028580429.db2.gz KZFVKAPZAZGPGZ-CQSZACIVSA-N 0 1 306.793 3.690 20 10 DHCDMN C[C@@H](NCC(C)(F)F)c1cc(Br)cc(F)c1O ZINC000815644554 1028590124 /nfs/dbraw/zinc/59/01/24/1028590124.db2.gz FSOXVRMPDQJSOB-ZCFIWIBFSA-N 0 1 312.129 3.600 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651485 1028594666 /nfs/dbraw/zinc/59/46/66/1028594666.db2.gz UVGPQVURASQCJO-ZFWWWQNUSA-N 0 1 317.351 3.877 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1[O-] ZINC000748051383 1028768453 /nfs/dbraw/zinc/76/84/53/1028768453.db2.gz SSILZLCTFCTKAD-GOSISDBHSA-N 0 1 313.372 3.853 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1[O-] ZINC000748051383 1028768464 /nfs/dbraw/zinc/76/84/64/1028768464.db2.gz SSILZLCTFCTKAD-GOSISDBHSA-N 0 1 313.372 3.853 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267305 1028836500 /nfs/dbraw/zinc/83/65/00/1028836500.db2.gz KCQPKNYSONRRNZ-LJQANCHMSA-N 0 1 324.424 3.860 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816478145 1028888319 /nfs/dbraw/zinc/88/83/19/1028888319.db2.gz VVLREGPZDQNRBG-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN Cc1noc([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000816491528 1028896401 /nfs/dbraw/zinc/89/64/01/1028896401.db2.gz PDGZPJFROQWRBB-INIZCTEOSA-N 0 1 323.396 3.616 20 10 DHCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000816491528 1028896414 /nfs/dbraw/zinc/89/64/14/1028896414.db2.gz PDGZPJFROQWRBB-INIZCTEOSA-N 0 1 323.396 3.616 20 10 DHCDMN [O-]c1c(C[N@H+](CCO)CCc2ccccc2)ccc2ccccc12 ZINC000816510660 1028911447 /nfs/dbraw/zinc/91/14/47/1028911447.db2.gz BUMDHOSVQDKHAD-UHFFFAOYSA-N 0 1 321.420 3.582 20 10 DHCDMN [O-]c1c(C[N@@H+](CCO)CCc2ccccc2)ccc2ccccc12 ZINC000816510660 1028911462 /nfs/dbraw/zinc/91/14/62/1028911462.db2.gz BUMDHOSVQDKHAD-UHFFFAOYSA-N 0 1 321.420 3.582 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000372879771 1028917539 /nfs/dbraw/zinc/91/75/39/1028917539.db2.gz SFCLTKVUSFJIEI-CQSZACIVSA-N 0 1 307.752 3.798 20 10 DHCDMN C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816516265 1028917692 /nfs/dbraw/zinc/91/76/92/1028917692.db2.gz ZKKQPXIABMISGU-UHFFFAOYSA-N 0 1 315.413 3.709 20 10 DHCDMN C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816516265 1028917703 /nfs/dbraw/zinc/91/77/03/1028917703.db2.gz ZKKQPXIABMISGU-UHFFFAOYSA-N 0 1 315.413 3.709 20 10 DHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC[C@@H]1C ZINC000816535330 1028921750 /nfs/dbraw/zinc/92/17/50/1028921750.db2.gz MCXXJVUQKCNKQG-HOTGVXAUSA-N 0 1 312.457 3.898 20 10 DHCDMN [O-]c1c(C[NH2+]CCSC(F)(F)F)ccc2ccccc21 ZINC000816535741 1028923381 /nfs/dbraw/zinc/92/33/81/1028923381.db2.gz YKEDGTZFJPQJJF-UHFFFAOYSA-N 0 1 301.333 3.888 20 10 DHCDMN [O-]c1c(C[NH2+]CCN2Cc3ccccc3C2)ccc2ccccc21 ZINC000816533104 1028923927 /nfs/dbraw/zinc/92/39/27/1028923927.db2.gz JFDFYQABHNXIHA-UHFFFAOYSA-N 0 1 318.420 3.651 20 10 DHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC(C)CC1 ZINC000816544003 1028927792 /nfs/dbraw/zinc/92/77/92/1028927792.db2.gz VIACLELQGFMXRS-MRXNPFEDSA-N 0 1 312.457 3.755 20 10 DHCDMN CO[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816588697 1028938928 /nfs/dbraw/zinc/93/89/28/1028938928.db2.gz VZIQCJXGUSGEDD-AWEZNQCLSA-N 0 1 313.319 3.602 20 10 DHCDMN Cc1nc(CC[NH2+]Cc2ccc3ccccc3c2[O-])sc1C ZINC000816557409 1028941065 /nfs/dbraw/zinc/94/10/65/1028941065.db2.gz OZWISEAEXQNSQF-UHFFFAOYSA-N 0 1 312.438 3.951 20 10 DHCDMN Cc1noc(C)c1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816556662 1028942289 /nfs/dbraw/zinc/94/22/89/1028942289.db2.gz QTBOEAGEKCBNJS-UHFFFAOYSA-N 0 1 310.397 3.873 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCO[C@@H]1C1CC1 ZINC000816570803 1028948647 /nfs/dbraw/zinc/94/86/47/1028948647.db2.gz HUOIAOLMEHJSKF-UXHICEINSA-N 0 1 311.425 3.840 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOCC3(CCCC3)C2)ccc2ccccc21 ZINC000816574152 1028952577 /nfs/dbraw/zinc/95/25/77/1028952577.db2.gz YQAULLQMNJTIIM-UHFFFAOYSA-N 0 1 311.425 3.938 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOCC3(CCCC3)C2)ccc2ccccc21 ZINC000816574152 1028952591 /nfs/dbraw/zinc/95/25/91/1028952591.db2.gz YQAULLQMNJTIIM-UHFFFAOYSA-N 0 1 311.425 3.938 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1[C@H]1CCCO1 ZINC000816613807 1028964585 /nfs/dbraw/zinc/96/45/85/1028964585.db2.gz FVCGCBCXOJHIGO-HUUCEWRRSA-N 0 1 313.800 3.574 20 10 DHCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000816662806 1028984789 /nfs/dbraw/zinc/98/47/89/1028984789.db2.gz ZAUCTIHUGZKTFQ-KRWDZBQOSA-N 0 1 311.853 3.585 20 10 DHCDMN C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@H]2C[C@H]2C1 ZINC000816681820 1028987890 /nfs/dbraw/zinc/98/78/90/1028987890.db2.gz HTMSQPGOWLEFCY-ZZCKJEPUSA-N 0 1 314.212 3.751 20 10 DHCDMN Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CCC2 ZINC000373254867 1028988175 /nfs/dbraw/zinc/98/81/75/1028988175.db2.gz HDUSQRWOYWURQH-QWHCGFSZSA-N 0 1 319.836 3.779 20 10 DHCDMN CN(C)C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000779350729 1029169672 /nfs/dbraw/zinc/16/96/72/1029169672.db2.gz SIUXJKOCWDHKJN-UHFFFAOYSA-N 0 1 323.400 3.880 20 10 DHCDMN C[C@H]1CC[C@@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859643 1029185155 /nfs/dbraw/zinc/18/51/55/1029185155.db2.gz LURLKFMQEXLPTQ-YOEHRIQHSA-N 0 1 301.386 3.555 20 10 DHCDMN CCOc1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC000818230677 1029359344 /nfs/dbraw/zinc/35/93/44/1029359344.db2.gz RIDAZXUTLCRNCA-ZWKOTPCHSA-N 0 1 301.361 3.518 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818356364 1029382420 /nfs/dbraw/zinc/38/24/20/1029382420.db2.gz NTYYKRFZKPDCLU-IGNZVWTISA-N 0 1 301.361 3.689 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000865650322 1029958704 /nfs/dbraw/zinc/95/87/04/1029958704.db2.gz IKUWVFRQONSXIA-WBVHZDCISA-N 0 1 303.789 3.665 20 10 DHCDMN CCOCc1cc(CN[C@@H](C)c2cnc(C)s2)ccc1OC ZINC000865701126 1029981744 /nfs/dbraw/zinc/98/17/44/1029981744.db2.gz HEVLPUDXNLRLRR-LBPRGKRZSA-N 0 1 320.458 3.847 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cncn2C(C)C)cc1 ZINC000822443503 1030012218 /nfs/dbraw/zinc/01/22/18/1030012218.db2.gz VZQVFSYRWRJCDA-UHFFFAOYSA-N 0 1 314.477 3.942 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865777605 1030018889 /nfs/dbraw/zinc/01/88/89/1030018889.db2.gz JRVSWWLTKAOTOD-CYBMUJFWSA-N 0 1 309.837 3.650 20 10 DHCDMN CCN(CC)c1ccc(CN2CC(CC(F)F)C2)cc1F ZINC000822520554 1030040735 /nfs/dbraw/zinc/04/07/35/1030040735.db2.gz GIOMZIXRBLNHKA-UHFFFAOYSA-N 0 1 300.368 3.759 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529555 1030045652 /nfs/dbraw/zinc/04/56/52/1030045652.db2.gz FOJNUTTXTWFFFO-QGZVFWFLSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529555 1030045667 /nfs/dbraw/zinc/04/56/67/1030045667.db2.gz FOJNUTTXTWFFFO-QGZVFWFLSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290896151 1030242257 /nfs/dbraw/zinc/24/22/57/1030242257.db2.gz LUJBBMZENHIDOF-GDBMZVCRSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000291038297 1030305022 /nfs/dbraw/zinc/30/50/22/1030305022.db2.gz YXZJLHVQCCMWLH-JKSUJKDBSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000291038297 1030305038 /nfs/dbraw/zinc/30/50/38/1030305038.db2.gz YXZJLHVQCCMWLH-JKSUJKDBSA-N 0 1 307.821 3.579 20 10 DHCDMN COC(C)(C)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000866505217 1030329253 /nfs/dbraw/zinc/32/92/53/1030329253.db2.gz VRMTUJORBUQESM-SNVBAGLBSA-N 0 1 316.239 3.620 20 10 DHCDMN Cn1nc(C2CC2)cc1CNCc1ccc(N2CCCCC2)cc1 ZINC000823736663 1030376024 /nfs/dbraw/zinc/37/60/24/1030376024.db2.gz JWKITWNKVCAALA-UHFFFAOYSA-N 0 1 324.472 3.578 20 10 DHCDMN C[C@H](NCc1noc2cc(F)ccc12)c1ccc(N(C)C)cc1 ZINC000866611086 1030400668 /nfs/dbraw/zinc/40/06/68/1030400668.db2.gz PFXYEULXSADABP-LBPRGKRZSA-N 0 1 313.376 3.884 20 10 DHCDMN C[C@H](c1cc(Cl)ccc1O)N1CCOc2ccc(N)cc2C1 ZINC000925754190 1030482083 /nfs/dbraw/zinc/48/20/83/1030482083.db2.gz MEMYABUXKIHMCR-LLVKDONJSA-N 0 1 318.804 3.583 20 10 DHCDMN Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2[O-])o1 ZINC000824515907 1030570347 /nfs/dbraw/zinc/57/03/47/1030570347.db2.gz PNWCOPGHWMOTDN-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2[O-])o1 ZINC000824515907 1030570355 /nfs/dbraw/zinc/57/03/55/1030570355.db2.gz PNWCOPGHWMOTDN-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C(F)F)CCC1 ZINC000868357143 1030571069 /nfs/dbraw/zinc/57/10/69/1030571069.db2.gz ORJRMOPBBMVKIJ-UHFFFAOYSA-N 0 1 324.154 3.751 20 10 DHCDMN C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824555327 1030579589 /nfs/dbraw/zinc/57/95/89/1030579589.db2.gz FIRHCZDXMRPXRE-JTQLQIEISA-N 0 1 310.191 3.941 20 10 DHCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824555327 1030579601 /nfs/dbraw/zinc/57/96/01/1030579601.db2.gz FIRHCZDXMRPXRE-JTQLQIEISA-N 0 1 310.191 3.941 20 10 DHCDMN Cn1ccnc1[C@H]1N(Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824620274 1030604152 /nfs/dbraw/zinc/60/41/52/1030604152.db2.gz HKJGGSIZLRBMKO-CQSZACIVSA-N 0 1 323.799 3.501 20 10 DHCDMN Oc1c(Br)cccc1CNc1ccc2c(n1)CCC2 ZINC000825124574 1030731019 /nfs/dbraw/zinc/73/10/19/1030731019.db2.gz SETWBEZXGHNRRN-UHFFFAOYSA-N 0 1 319.202 3.651 20 10 DHCDMN COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccc1C ZINC000825156133 1030742409 /nfs/dbraw/zinc/74/24/09/1030742409.db2.gz OTSOINIXUQGLIB-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN COCc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccc1F ZINC000825228060 1030744922 /nfs/dbraw/zinc/74/49/22/1030744922.db2.gz SWELGMHOUMQIJG-UHFFFAOYSA-N 0 1 323.795 3.929 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccncc1 ZINC000825303058 1030768768 /nfs/dbraw/zinc/76/87/68/1030768768.db2.gz CKDICUQPLNBMNL-CQSZACIVSA-N 0 1 321.218 3.791 20 10 DHCDMN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825366270 1030790245 /nfs/dbraw/zinc/79/02/45/1030790245.db2.gz UUQFXRGKAIEKLB-SNVBAGLBSA-N 0 1 308.809 3.852 20 10 DHCDMN C[C@H](NCc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107120 1031090147 /nfs/dbraw/zinc/09/01/47/1031090147.db2.gz CSJFKHBMFTYXRC-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN CCc1onc(C)c1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000927139353 1031114133 /nfs/dbraw/zinc/11/41/33/1031114133.db2.gz KTZSYRPNZUFGAH-ZDUSSCGKSA-N 0 1 301.434 3.852 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1F ZINC000872023462 1031407507 /nfs/dbraw/zinc/40/75/07/1031407507.db2.gz SCOAYPNNHGWKQS-AWEZNQCLSA-N 0 1 314.404 3.982 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(O)ccc1F ZINC000872036751 1031422051 /nfs/dbraw/zinc/42/20/51/1031422051.db2.gz YEOQTDKMZYKOGZ-ZDUSSCGKSA-N 0 1 302.393 3.757 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2[nH]c(C)nc2C)cc1 ZINC000929185229 1031459302 /nfs/dbraw/zinc/45/93/02/1031459302.db2.gz QTNOGJHDOWKBAH-UHFFFAOYSA-N 0 1 300.450 3.505 20 10 DHCDMN FC(F)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000872254910 1031562208 /nfs/dbraw/zinc/56/22/08/1031562208.db2.gz MXYABISDLZHCKE-QGZVFWFLSA-N 0 1 324.415 3.533 20 10 DHCDMN CCCc1nc(C)c(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000293797955 1031631134 /nfs/dbraw/zinc/63/11/34/1031631134.db2.gz UTHRDEZMJSXPGR-NSHDSACASA-N 0 1 304.390 3.501 20 10 DHCDMN COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825634772 1031674032 /nfs/dbraw/zinc/67/40/32/1031674032.db2.gz REDHWIKTESFWOL-LLVKDONJSA-N 0 1 306.793 3.608 20 10 DHCDMN CCCOc1ccc(CN[C@@H](C)c2cnn(CC)c2)cc1C ZINC000873130089 1031720013 /nfs/dbraw/zinc/72/00/13/1031720013.db2.gz YCNBHQUFHCDTFC-HNNXBMFYSA-N 0 1 301.434 3.851 20 10 DHCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([O-])c2Cl)c1 ZINC000845972835 1031788843 /nfs/dbraw/zinc/78/88/43/1031788843.db2.gz UXWLLAATFMTSDL-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000846016172 1031809685 /nfs/dbraw/zinc/80/96/85/1031809685.db2.gz QHNQRWYBSNNMFY-ZDUSSCGKSA-N 0 1 301.789 3.574 20 10 DHCDMN COc1cccc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)c1O ZINC000846162161 1031891988 /nfs/dbraw/zinc/89/19/88/1031891988.db2.gz IHLLQMRXQAYOIS-GFCCVEGCSA-N 0 1 318.392 3.775 20 10 DHCDMN CC(C)(C)c1coc(CNCc2cc(Cl)c(F)cc2O)n1 ZINC000897944187 1031892606 /nfs/dbraw/zinc/89/26/06/1031892606.db2.gz KWCLRRUXALHENH-UHFFFAOYSA-N 0 1 312.772 3.760 20 10 DHCDMN COc1ccc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142527393 1031911080 /nfs/dbraw/zinc/91/10/80/1031911080.db2.gz SWPNYRUHFDQISX-ZDUSSCGKSA-N 0 1 319.351 3.669 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccncc1 ZINC000877548002 1033348494 /nfs/dbraw/zinc/34/84/94/1033348494.db2.gz CJUXHUXGCQEWEM-INIZCTEOSA-N 0 1 304.340 3.649 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccncc1 ZINC000877548002 1033348497 /nfs/dbraw/zinc/34/84/97/1033348497.db2.gz CJUXHUXGCQEWEM-INIZCTEOSA-N 0 1 304.340 3.649 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672366 1033405567 /nfs/dbraw/zinc/40/55/67/1033405567.db2.gz CPRHVIVTDVQTRU-IAGOWNOFSA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672366 1033405571 /nfs/dbraw/zinc/40/55/71/1033405571.db2.gz CPRHVIVTDVQTRU-IAGOWNOFSA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672636 1033407497 /nfs/dbraw/zinc/40/74/97/1033407497.db2.gz JJHQAHQZMAHUGM-WBVHZDCISA-N 0 1 317.816 3.744 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1noc2ccc(F)cc12 ZINC000877709637 1033421699 /nfs/dbraw/zinc/42/16/99/1033421699.db2.gz DZALKHJUXPDLRP-UHFFFAOYSA-N 0 1 313.376 3.631 20 10 DHCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173138777 1033566460 /nfs/dbraw/zinc/56/64/60/1033566460.db2.gz DGAJZQDUSOLIGK-HNNXBMFYSA-N 0 1 310.422 3.649 20 10 DHCDMN Oc1c(CNc2ccccc2OCC(F)F)ccc(F)c1F ZINC000864022413 1034260764 /nfs/dbraw/zinc/26/07/64/1034260764.db2.gz ODTKQIYXCVVQRB-UHFFFAOYSA-N 0 1 315.266 3.926 20 10 DHCDMN COc1ccc(NCc2ccc(F)c(F)c2O)c2cccnc12 ZINC000864025527 1034262024 /nfs/dbraw/zinc/26/20/24/1034262024.db2.gz JOIJQUJMLXQLSR-UHFFFAOYSA-N 0 1 316.307 3.839 20 10 DHCDMN Oc1c(CNc2ccc(-c3cnco3)cc2)ccc(F)c1F ZINC000864024593 1034263119 /nfs/dbraw/zinc/26/31/19/1034263119.db2.gz BMLJTLARNNEDKV-UHFFFAOYSA-N 0 1 302.280 3.938 20 10 DHCDMN C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183679069 1034411542 /nfs/dbraw/zinc/41/15/42/1034411542.db2.gz JAULPZIXBVQXNG-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183679069 1034411548 /nfs/dbraw/zinc/41/15/48/1034411548.db2.gz JAULPZIXBVQXNG-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN CCOc1ccc(N2CCN(Cc3cc(C)cs3)CC2)cc1 ZINC001137160100 1034451712 /nfs/dbraw/zinc/45/17/12/1034451712.db2.gz RAQHPXLMZSCFFM-UHFFFAOYSA-N 0 1 316.470 3.777 20 10 DHCDMN Cc1c[nH+]ccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001174538186 1034452627 /nfs/dbraw/zinc/45/26/27/1034452627.db2.gz DULKCXGNMIKMGH-UHFFFAOYSA-N 0 1 313.582 3.677 20 10 DHCDMN Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000184872153 1034506014 /nfs/dbraw/zinc/50/60/14/1034506014.db2.gz OELTWLMDHFILHK-CYBMUJFWSA-N 0 1 307.825 3.600 20 10 DHCDMN CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185060002 1034525600 /nfs/dbraw/zinc/52/56/00/1034525600.db2.gz FUKVYYGBNQWMTE-QWRGUYRKSA-N 0 1 317.260 3.691 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1[O-] ZINC000185099603 1034527041 /nfs/dbraw/zinc/52/70/41/1034527041.db2.gz SYDNWBZIXBVFSF-SNVBAGLBSA-N 0 1 305.761 3.625 20 10 DHCDMN CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186176762 1034607429 /nfs/dbraw/zinc/60/74/29/1034607429.db2.gz RMTHZBZKYANLGT-NSHDSACASA-N 0 1 321.852 3.755 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc2ccccc2c1[O-] ZINC000186179403 1034607701 /nfs/dbraw/zinc/60/77/01/1034607701.db2.gz ORUGIDBFAMPRRH-CQSZACIVSA-N 0 1 321.424 3.857 20 10 DHCDMN Cc1nnc(CN(Cc2ccccc2O)C2CCCCC2)s1 ZINC000773428492 1034712860 /nfs/dbraw/zinc/71/28/60/1034712860.db2.gz ZISKFSLSBFQYTO-UHFFFAOYSA-N 0 1 317.458 3.887 20 10 DHCDMN C=Cn1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000193578067 1034847623 /nfs/dbraw/zinc/84/76/23/1034847623.db2.gz UODSOBABPBDUCQ-UHFFFAOYSA-N 0 1 310.445 3.606 20 10 DHCDMN CCOCc1cc(CNCc2ccc(F)cc2F)ccc1OC ZINC001177542135 1035379567 /nfs/dbraw/zinc/37/95/67/1035379567.db2.gz JTPDYFOFVWKNRH-UHFFFAOYSA-N 0 1 321.367 3.800 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nsc2ccccc12 ZINC001179248672 1035471311 /nfs/dbraw/zinc/47/13/11/1035471311.db2.gz VCHDMUKOUICXQV-UHFFFAOYSA-N 0 1 318.829 3.988 20 10 DHCDMN CC(C)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC001179645162 1035486428 /nfs/dbraw/zinc/48/64/28/1035486428.db2.gz JDXMCJRDEAEQNY-UHFFFAOYSA-N 0 1 324.472 3.569 20 10 DHCDMN CCN(C)c1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000773834827 1035516214 /nfs/dbraw/zinc/51/62/14/1035516214.db2.gz UWEBRGAZIYMYTC-CQSZACIVSA-N 0 1 313.401 3.902 20 10 DHCDMN CCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H](CC)C(=O)OCC ZINC001193364507 1035619944 /nfs/dbraw/zinc/61/99/44/1035619944.db2.gz LZFXPQZKFIXTPV-KRWDZBQOSA-N 0 1 320.477 3.615 20 10 DHCDMN CCCN(Cc1ccc(N(C)C)c(C)c1)[C@H](CC)C(=O)OCC ZINC001193364511 1035620646 /nfs/dbraw/zinc/62/06/46/1035620646.db2.gz LZFXPQZKFIXTPV-QGZVFWFLSA-N 0 1 320.477 3.615 20 10 DHCDMN CN1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)Cc2ccccc21 ZINC001180212967 1035623459 /nfs/dbraw/zinc/62/34/59/1035623459.db2.gz LLTUYRVHHMIQHF-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN COc1cc(C)c(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1C ZINC001193625204 1035680166 /nfs/dbraw/zinc/68/01/66/1035680166.db2.gz ORSPGNGLACFCDL-UHFFFAOYSA-N 0 1 321.760 3.629 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001181611540 1035952891 /nfs/dbraw/zinc/95/28/91/1035952891.db2.gz OOQRPGMLGHAWOD-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1OC ZINC000775642159 1036157933 /nfs/dbraw/zinc/15/79/33/1036157933.db2.gz HMHZNEMEAJTBDF-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644182 1036163404 /nfs/dbraw/zinc/16/34/04/1036163404.db2.gz FTJAZLXURHPYMS-UHFFFAOYSA-N 0 1 323.751 3.545 20 10 DHCDMN CCc1cnc(CNC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835043356 1036231470 /nfs/dbraw/zinc/23/14/70/1036231470.db2.gz PNTMKAIFGYYHEI-AATRIKPKSA-N 0 1 301.459 3.575 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000775654915 1036240624 /nfs/dbraw/zinc/24/06/24/1036240624.db2.gz RAURVMXKLYLDMY-LLVKDONJSA-N 0 1 323.742 3.589 20 10 DHCDMN COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775680854 1036413071 /nfs/dbraw/zinc/41/30/71/1036413071.db2.gz JWOYNOKKUAODGH-UHFFFAOYSA-N 0 1 323.795 3.868 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000775717582 1036539658 /nfs/dbraw/zinc/53/96/58/1036539658.db2.gz PAKJSTXUERQZEP-UHFFFAOYSA-N 0 1 309.690 3.879 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000775717582 1036539663 /nfs/dbraw/zinc/53/96/63/1036539663.db2.gz PAKJSTXUERQZEP-UHFFFAOYSA-N 0 1 309.690 3.879 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000775717582 1036539665 /nfs/dbraw/zinc/53/96/65/1036539665.db2.gz PAKJSTXUERQZEP-UHFFFAOYSA-N 0 1 309.690 3.879 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000775726021 1036561307 /nfs/dbraw/zinc/56/13/07/1036561307.db2.gz PFQLQGIERHTCIM-INIZCTEOSA-N 0 1 321.779 3.758 20 10 DHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203573764 1036642719 /nfs/dbraw/zinc/64/27/19/1036642719.db2.gz GYSUOYBJCYBXQH-BONVTDFDSA-N 0 1 318.244 3.682 20 10 DHCDMN C[C@@]1([NH2+]Cc2ccc(Cl)cc2[O-])CCOc2ccccc21 ZINC001183958237 1036718062 /nfs/dbraw/zinc/71/80/62/1036718062.db2.gz KLCPWPMYZXFGDY-QGZVFWFLSA-N 0 1 303.789 3.833 20 10 DHCDMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774903240 1037193316 /nfs/dbraw/zinc/19/33/16/1037193316.db2.gz JRXPOZSAYJJBMR-OCCSQVGLSA-N 0 1 322.405 3.710 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCOc2cccc(F)c2)c(Cl)c1 ZINC001199564113 1037281554 /nfs/dbraw/zinc/28/15/54/1037281554.db2.gz NSWBIQPQHFWBJC-UHFFFAOYSA-N 0 1 309.768 3.662 20 10 DHCDMN CCOc1cccc(CC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000776252229 1038074913 /nfs/dbraw/zinc/07/49/13/1038074913.db2.gz QBARNFFSYSNGJE-UHFFFAOYSA-N 0 1 305.805 3.777 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccccc2OC(F)F)cc1 ZINC000917030630 1038127081 /nfs/dbraw/zinc/12/70/81/1038127081.db2.gz KROAYTRMVKWFLJ-UHFFFAOYSA-N 0 1 320.383 3.986 20 10 DHCDMN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775363171 1038275649 /nfs/dbraw/zinc/27/56/49/1038275649.db2.gz KZIJOAZNKCGTFG-NSHDSACASA-N 0 1 305.403 3.573 20 10 DHCDMN CC[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775413880 1038389483 /nfs/dbraw/zinc/38/94/83/1038389483.db2.gz DKIQGPHMPLRHIZ-GOSISDBHSA-N 0 1 307.397 3.819 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775502172 1038590593 /nfs/dbraw/zinc/59/05/93/1038590593.db2.gz PMNFYEZYHWJCRK-NVXWUHKLSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510056 1038594028 /nfs/dbraw/zinc/59/40/28/1038594028.db2.gz UTZRCFOAFWITJE-HIFRSBDPSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775507057 1038598818 /nfs/dbraw/zinc/59/88/18/1038598818.db2.gz GWIYHKRQOJCGML-NVXWUHKLSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507940 1038600003 /nfs/dbraw/zinc/60/00/03/1038600003.db2.gz PTAXHTFHFCRDQX-XCLFUZPHSA-N 0 1 317.882 3.634 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775510840 1038603768 /nfs/dbraw/zinc/60/37/68/1038603768.db2.gz AANWMNLARPPXCU-RHSMWYFYSA-N 0 1 319.832 3.862 20 10 DHCDMN COc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000058126819 1038945915 /nfs/dbraw/zinc/94/59/15/1038945915.db2.gz OZRBMSHCYHTELQ-VMPITWQZSA-N 0 1 308.425 3.531 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCc1ccccc1 ZINC000227434162 1040259507 /nfs/dbraw/zinc/25/95/07/1040259507.db2.gz UFGMLBMPMBIPTN-UHFFFAOYSA-N 0 1 320.230 3.877 20 10 DHCDMN CC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1nccs1 ZINC000228675137 1041049692 /nfs/dbraw/zinc/04/96/92/1041049692.db2.gz NVUXCJIGJRKNDG-LLVKDONJSA-N 0 1 312.822 3.752 20 10 DHCDMN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000273591949 130142197 /nfs/dbraw/zinc/14/21/97/130142197.db2.gz PNMUSEUQCYDHKO-GUYCJALGSA-N 0 1 311.381 3.831 20 10 DHCDMN Cc1nnc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287695 130223212 /nfs/dbraw/zinc/22/32/12/130223212.db2.gz ZSUKYJNJRFNVGD-WDEREUQCSA-N 0 1 317.458 3.843 20 10 DHCDMN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000293848602 131775464 /nfs/dbraw/zinc/77/54/64/131775464.db2.gz XESQYAMGRUJWJM-QMMMGPOBSA-N 0 1 320.177 3.851 20 10 DHCDMN COc1c(O)c(C[N@@H+](C)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000278274747 334094371 /nfs/dbraw/zinc/09/43/71/334094371.db2.gz RZLVBWBASIGKOL-JTQLQIEISA-N 0 1 322.386 3.564 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000278274747 334094375 /nfs/dbraw/zinc/09/43/75/334094375.db2.gz RZLVBWBASIGKOL-JTQLQIEISA-N 0 1 322.386 3.564 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1nccn1-c1ccccc1 ZINC000290225022 334171832 /nfs/dbraw/zinc/17/18/32/334171832.db2.gz XPLBGNLAFKJJHD-INIZCTEOSA-N 0 1 320.440 3.789 20 10 DHCDMN CCOc1cccc(CNCc2ncoc2-c2ccccc2)c1O ZINC000378153179 337067275 /nfs/dbraw/zinc/06/72/75/337067275.db2.gz INBPXJAVAWOXFL-UHFFFAOYSA-N 0 1 324.380 3.736 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378637688 337077384 /nfs/dbraw/zinc/07/73/84/337077384.db2.gz ODZVTVJMTMIHIA-AWEZNQCLSA-N 0 1 302.805 3.505 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378637688 337077385 /nfs/dbraw/zinc/07/73/85/337077385.db2.gz ODZVTVJMTMIHIA-AWEZNQCLSA-N 0 1 302.805 3.505 20 10 DHCDMN CC[C@@H](N[C@H](c1n[nH]c(C)n1)c1ccccc1)c1ccccc1O ZINC000185210235 337203507 /nfs/dbraw/zinc/20/35/07/337203507.db2.gz DGHHCYUEFXBOBO-AEFFLSMTSA-N 0 1 322.412 3.649 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113179 337253783 /nfs/dbraw/zinc/25/37/83/337253783.db2.gz RLKSYVCSXOULTB-CABCVRRESA-N 0 1 322.412 3.693 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@H](c3cccs3)C2)cc1C ZINC000128445454 525320875 /nfs/dbraw/zinc/32/08/75/525320875.db2.gz CQSCORPXTWXLNO-INIZCTEOSA-N 0 1 303.427 3.644 20 10 DHCDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000273380870 536896945 /nfs/dbraw/zinc/89/69/45/536896945.db2.gz IFYNOPSSPNUNRC-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN C[C@@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])Cc1ccccc1O ZINC000833548749 605078010 /nfs/dbraw/zinc/07/80/10/605078010.db2.gz MBYFINILXOHGEC-HNNXBMFYSA-N 0 1 313.397 3.820 20 10 DHCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccc(N2CCCC2)cc1 ZINC001204155244 960603173 /nfs/dbraw/zinc/60/31/73/960603173.db2.gz WYBOQRIWDIBQHX-UHFFFAOYSA-N 0 1 324.424 3.617 20 10 DHCDMN COc1cc(C)cc(CNc2ccc3c(c2)nc(C)n3C)c1O ZINC000894400641 1013320151 /nfs/dbraw/zinc/32/01/51/1013320151.db2.gz CQBZCTRHCIHQCR-UHFFFAOYSA-N 0 1 311.385 3.516 20 10 DHCDMN C[C@]12CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@H]1C2(Cl)Cl ZINC000894689560 1013456821 /nfs/dbraw/zinc/45/68/21/1013456821.db2.gz DVVVBIUIXOKOFC-YPMHNXCESA-N 0 1 322.182 3.686 20 10 DHCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715712967 1018951596 /nfs/dbraw/zinc/95/15/96/1018951596.db2.gz MYKRANRCQWXVGI-SNVBAGLBSA-N 0 1 316.214 3.916 20 10 DHCDMN Cc1csc([C@@H](C)NCc2ccc(N3CCCC3)cc2)n1 ZINC000070939641 1013830959 /nfs/dbraw/zinc/83/09/59/1013830959.db2.gz HPJGNSUPSUPQKM-CQSZACIVSA-N 0 1 301.459 3.903 20 10 DHCDMN Oc1ccc(Cl)cc1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000895155230 1014655339 /nfs/dbraw/zinc/65/53/39/1014655339.db2.gz GFBAFLDMADYUTO-UHFFFAOYSA-N 0 1 312.200 3.589 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000895155230 1014655342 /nfs/dbraw/zinc/65/53/42/1014655342.db2.gz GFBAFLDMADYUTO-UHFFFAOYSA-N 0 1 312.200 3.589 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CC1(C2CC2)CCC1 ZINC000706857786 1014656756 /nfs/dbraw/zinc/65/67/56/1014656756.db2.gz CKVLQFVPOYYFFL-UHFFFAOYSA-N 0 1 310.235 3.825 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(OC)nc2)cc1 ZINC000754643470 1014712391 /nfs/dbraw/zinc/71/23/91/1014712391.db2.gz ZLSNQPVVMLSVFF-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895582354 1015217477 /nfs/dbraw/zinc/21/74/77/1015217477.db2.gz RMKRMQLMFSNBGX-SECBINFHSA-N 0 1 312.797 3.631 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895582355 1015218362 /nfs/dbraw/zinc/21/83/62/1015218362.db2.gz RMKRMQLMFSNBGX-VIFPVBQESA-N 0 1 312.797 3.631 20 10 DHCDMN COc1ccc(CN(C)[C@@H](C)c2ccccc2F)c(O)c1OC ZINC000891593684 1015421180 /nfs/dbraw/zinc/42/11/80/1015421180.db2.gz WTIBTGBMNRPELE-LBPRGKRZSA-N 0 1 319.376 3.742 20 10 DHCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000896489388 1015599031 /nfs/dbraw/zinc/59/90/31/1015599031.db2.gz NHFVTSUGOXEWMR-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000896489388 1015599034 /nfs/dbraw/zinc/59/90/34/1015599034.db2.gz NHFVTSUGOXEWMR-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000896489388 1015599043 /nfs/dbraw/zinc/59/90/43/1015599043.db2.gz NHFVTSUGOXEWMR-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020552854 1015787303 /nfs/dbraw/zinc/78/73/03/1015787303.db2.gz LRIPFADTTAXCAU-UHFFFAOYSA-N 0 1 313.731 3.937 20 10 DHCDMN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000277028279 1015853606 /nfs/dbraw/zinc/85/36/06/1015853606.db2.gz DWVIRDWHBCRUIK-SSDOTTSWSA-N 0 1 306.150 3.603 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)ccc(F)c1F ZINC000877594985 1033373411 /nfs/dbraw/zinc/37/34/11/1033373411.db2.gz ORCQGVNWLPBADE-VIFPVBQESA-N 0 1 309.278 3.835 20 10 DHCDMN Cc1cc(N(C)C)ncc1NCc1cc2ccccc2cc1O ZINC001171404705 1032595696 /nfs/dbraw/zinc/59/56/96/1032595696.db2.gz JYIHGJWVEHXABA-UHFFFAOYSA-N 0 1 307.397 3.927 20 10 DHCDMN CC[C@H](NCc1nnc(C2CC2)s1)c1ccc(C)cc1O ZINC000840892321 1017412494 /nfs/dbraw/zinc/41/24/94/1017412494.db2.gz XWQDQLNWAMYBSQ-ZDUSSCGKSA-N 0 1 303.431 3.670 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921529 1017483066 /nfs/dbraw/zinc/48/30/66/1017483066.db2.gz VEVKZOLFICSJRA-UONOGXRCSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921529 1017483088 /nfs/dbraw/zinc/48/30/88/1017483088.db2.gz VEVKZOLFICSJRA-UONOGXRCSA-N 0 1 309.837 3.603 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133892 1017666977 /nfs/dbraw/zinc/66/69/77/1017666977.db2.gz NYAQEDBLBRIVDZ-MRVPVSSYSA-N 0 1 304.615 3.650 20 10 DHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC001204602514 1018060244 /nfs/dbraw/zinc/06/02/44/1018060244.db2.gz WDTANODIDFYXFT-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC001204602514 1018060258 /nfs/dbraw/zinc/06/02/58/1018060258.db2.gz WDTANODIDFYXFT-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC001204602514 1018060272 /nfs/dbraw/zinc/06/02/72/1018060272.db2.gz WDTANODIDFYXFT-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccncc1 ZINC000858144988 1032781296 /nfs/dbraw/zinc/78/12/96/1032781296.db2.gz WSKJXXFJZYMNQG-MRXNPFEDSA-N 0 1 305.372 3.667 20 10 DHCDMN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])[C@@H]1SC ZINC000842922720 1018919167 /nfs/dbraw/zinc/91/91/67/1018919167.db2.gz CJTJGFGEMRUMGT-VHIFSBLJSA-N 0 1 315.866 3.605 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cnn(-c2ccccc2)c1 ZINC000765610037 1018998771 /nfs/dbraw/zinc/99/87/71/1018998771.db2.gz ULYBZNGGYAWPGU-HNNXBMFYSA-N 0 1 319.408 3.658 20 10 DHCDMN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)c(F)c1 ZINC000765610956 1019000221 /nfs/dbraw/zinc/00/02/21/1019000221.db2.gz ZLUCVXKLQPOIRF-GFCCVEGCSA-N 0 1 301.361 3.620 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCC23CCOCC3)cc1Cl ZINC000825774599 1032810951 /nfs/dbraw/zinc/81/09/51/1032810951.db2.gz ZJJZCOCXDXKVAO-INIZCTEOSA-N 0 1 309.837 3.793 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1[O-] ZINC000282543912 1019186088 /nfs/dbraw/zinc/18/60/88/1019186088.db2.gz WOHPFTOKWKAMCG-HZMBPMFUSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1[O-] ZINC000282543919 1019187522 /nfs/dbraw/zinc/18/75/22/1019187522.db2.gz WOHPFTOKWKAMCG-QMTHXVAHSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc(Cl)ccc1[O-] ZINC000282543923 1019188928 /nfs/dbraw/zinc/18/89/28/1019188928.db2.gz WOHPFTOKWKAMCG-YGRLFVJLSA-N 0 1 305.809 3.507 20 10 DHCDMN COc1cccc(O)c1CNCc1csc(C(F)(F)F)c1 ZINC000858304966 1032834962 /nfs/dbraw/zinc/83/49/62/1032834962.db2.gz LCWCWNWMSGZMAF-UHFFFAOYSA-N 0 1 317.332 3.771 20 10 DHCDMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000139971917 1019883118 /nfs/dbraw/zinc/88/31/18/1019883118.db2.gz WBVCDKZIODDTQG-QGZVFWFLSA-N 0 1 313.372 3.764 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3cccnc32)c(Cl)c1 ZINC000922884126 1020335534 /nfs/dbraw/zinc/33/55/34/1020335534.db2.gz NUQWGAYENOWWAM-HNNXBMFYSA-N 0 1 302.805 3.916 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1COc2c1cccc2Cl ZINC000766028094 1020481985 /nfs/dbraw/zinc/48/19/85/1020481985.db2.gz DGMXHOLLFGIHQT-QGZVFWFLSA-N 0 1 316.832 3.938 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000691407094 1020648513 /nfs/dbraw/zinc/64/85/13/1020648513.db2.gz MDUFHERUIJUJLQ-ZDUSSCGKSA-N 0 1 318.214 3.584 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735323521 1020719511 /nfs/dbraw/zinc/71/95/11/1020719511.db2.gz BNMBXEJHWUSWRQ-CYBMUJFWSA-N 0 1 301.817 3.940 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735323593 1020719563 /nfs/dbraw/zinc/71/95/63/1020719563.db2.gz GBWXBIWRRSOPBL-CYBMUJFWSA-N 0 1 301.817 3.940 20 10 DHCDMN CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CCC1 ZINC000738053687 1020860278 /nfs/dbraw/zinc/86/02/78/1020860278.db2.gz LOFJAXFCBGKJGO-UHFFFAOYSA-N 0 1 313.397 3.706 20 10 DHCDMN CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CCC1 ZINC000738053687 1020860285 /nfs/dbraw/zinc/86/02/85/1020860285.db2.gz LOFJAXFCBGKJGO-UHFFFAOYSA-N 0 1 313.397 3.706 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000858544095 1032941387 /nfs/dbraw/zinc/94/13/87/1032941387.db2.gz YLPPBPJLYAMGGT-INIZCTEOSA-N 0 1 322.456 3.987 20 10 DHCDMN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000174023641 1020951116 /nfs/dbraw/zinc/95/11/16/1020951116.db2.gz SZCWRIFJLFZYTH-GFCCVEGCSA-N 0 1 309.413 3.747 20 10 DHCDMN COc1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1C ZINC000741258960 1020996028 /nfs/dbraw/zinc/99/60/28/1020996028.db2.gz SMHBVLRJWIZKIV-LJQANCHMSA-N 0 1 321.424 3.731 20 10 DHCDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278802248 1021016128 /nfs/dbraw/zinc/01/61/28/1021016128.db2.gz OQMKRWXXMVWNAU-JTQLQIEISA-N 0 1 319.298 3.508 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1F ZINC000742381352 1021109769 /nfs/dbraw/zinc/10/97/69/1021109769.db2.gz RTGONFZJTPIASQ-NSHDSACASA-N 0 1 309.768 3.742 20 10 DHCDMN COc1ccccc1O[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000742382655 1021109946 /nfs/dbraw/zinc/10/99/46/1021109946.db2.gz HPQHTZPKYQLYNO-LBPRGKRZSA-N 0 1 321.804 3.611 20 10 DHCDMN CCc1cnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000743847785 1021375016 /nfs/dbraw/zinc/37/50/16/1021375016.db2.gz IYWJBMKJIBNXHS-UHFFFAOYSA-N 0 1 300.402 3.887 20 10 DHCDMN CCCN(Cc1noc2c1CCCC2)Cc1ccccc1O ZINC000108858608 1021379818 /nfs/dbraw/zinc/37/98/18/1021379818.db2.gz LDAPQQHDBHMOKE-UHFFFAOYSA-N 0 1 300.402 3.671 20 10 DHCDMN COc1cc(CNCc2ncc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850159528 1021430198 /nfs/dbraw/zinc/43/01/98/1021430198.db2.gz HCNMTWDKGAQVQS-UHFFFAOYSA-N 0 1 320.458 3.753 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850374258 1021497684 /nfs/dbraw/zinc/49/76/84/1021497684.db2.gz LERFLPCYDIXDSZ-RDJZCZTQSA-N 0 1 303.789 3.622 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695111604 1021523282 /nfs/dbraw/zinc/52/32/82/1021523282.db2.gz AJPPCCZNLIWBNI-NSHDSACASA-N 0 1 320.177 3.822 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc2cnccc2o1 ZINC000850430553 1021528778 /nfs/dbraw/zinc/52/87/78/1021528778.db2.gz MRUONJOKBUEQEA-LBPRGKRZSA-N 0 1 313.376 3.884 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1c(C)noc1C ZINC000182459674 1021663535 /nfs/dbraw/zinc/66/35/35/1021663535.db2.gz SLEBESGPOWFQPR-HNNXBMFYSA-N 0 1 320.364 3.580 20 10 DHCDMN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000783015591 1021701605 /nfs/dbraw/zinc/70/16/05/1021701605.db2.gz CUBYSJBFOQLJJG-LLVKDONJSA-N 0 1 316.376 3.542 20 10 DHCDMN C[C@@H](C(=O)Nc1ccccc1Cl)N(C)Cc1ccccc1O ZINC000109772972 1021746211 /nfs/dbraw/zinc/74/62/11/1021746211.db2.gz QKGKTVPTMOURMJ-LBPRGKRZSA-N 0 1 318.804 3.505 20 10 DHCDMN C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542856 1022290238 /nfs/dbraw/zinc/29/02/38/1022290238.db2.gz VJXSBMXNXZEPHZ-ZDUSSCGKSA-N 0 1 319.445 3.539 20 10 DHCDMN C[C@H]1COC2(CCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542856 1022290247 /nfs/dbraw/zinc/29/02/47/1022290247.db2.gz VJXSBMXNXZEPHZ-ZDUSSCGKSA-N 0 1 319.445 3.539 20 10 DHCDMN COc1cc(C)cc(CN2CC3(CCC3)[C@@H]2c2ccncc2)c1O ZINC000853629399 1022300353 /nfs/dbraw/zinc/30/03/53/1022300353.db2.gz JMIFRGMGJMMUGV-IBGZPJMESA-N 0 1 324.424 3.831 20 10 DHCDMN C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc2ccccc2c1[O-] ZINC000273528170 1022540816 /nfs/dbraw/zinc/54/08/16/1022540816.db2.gz VWSSFLIRRSMCJA-CQSZACIVSA-N 0 1 301.430 3.995 20 10 DHCDMN CN(C)c1ccc(CNCc2cc(F)cc(Cl)c2)cc1F ZINC000776800765 1022610402 /nfs/dbraw/zinc/61/04/02/1022610402.db2.gz VOWUJCJVTGEDKQ-UHFFFAOYSA-N 0 1 310.775 3.974 20 10 DHCDMN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])CCO2 ZINC000767188914 1022658783 /nfs/dbraw/zinc/65/87/83/1022658783.db2.gz MQNYXQSYXHMDKH-HNNXBMFYSA-N 0 1 319.788 3.668 20 10 DHCDMN CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000068973647 1022824513 /nfs/dbraw/zinc/82/45/13/1022824513.db2.gz OIBNJDHDIOSYMR-UHFFFAOYSA-N 0 1 306.387 3.774 20 10 DHCDMN CCCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000068973647 1022824527 /nfs/dbraw/zinc/82/45/27/1022824527.db2.gz OIBNJDHDIOSYMR-UHFFFAOYSA-N 0 1 306.387 3.774 20 10 DHCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000781897223 1022846720 /nfs/dbraw/zinc/84/67/20/1022846720.db2.gz PYCVAMPRWIFBLM-LLVKDONJSA-N 0 1 300.240 3.939 20 10 DHCDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000768171649 1022910252 /nfs/dbraw/zinc/91/02/52/1022910252.db2.gz FXMDYRJYLTUPOA-SJLPKXTDSA-N 0 1 302.462 3.676 20 10 DHCDMN COCCN(Cc1cccs1)Cc1c(O)cccc1Cl ZINC000768199072 1022914650 /nfs/dbraw/zinc/91/46/50/1022914650.db2.gz XOFPMYZCVAMYKK-UHFFFAOYSA-N 0 1 311.834 3.756 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cnn3ccccc23)cc1 ZINC000768209033 1022915251 /nfs/dbraw/zinc/91/52/51/1022915251.db2.gz XKGPDKHMLGGCHN-UHFFFAOYSA-N 0 1 322.456 3.813 20 10 DHCDMN C[C@@H](c1ccccc1Cl)N(C)Cc1cc2c(cc1O)OCO2 ZINC000768262169 1022935599 /nfs/dbraw/zinc/93/55/99/1022935599.db2.gz HHBYMUVQIZNGDG-NSHDSACASA-N 0 1 319.788 3.967 20 10 DHCDMN C[C@@H](C1CC1)[N@@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768532117 1022984312 /nfs/dbraw/zinc/98/43/12/1022984312.db2.gz JDUVOUSRAFYRDE-JTQLQIEISA-N 0 1 310.235 3.918 20 10 DHCDMN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000368651085 1022995304 /nfs/dbraw/zinc/99/53/04/1022995304.db2.gz FWMLFBYDDJNUEZ-MZPVMMEZSA-N 0 1 309.837 3.901 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1OCCc2ccccc21 ZINC000769021459 1023071987 /nfs/dbraw/zinc/07/19/87/1023071987.db2.gz JTMAZRMKEYNHJN-SFHVURJKSA-N 0 1 317.816 3.791 20 10 DHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1OCCc2ccccc21 ZINC000769021459 1023071995 /nfs/dbraw/zinc/07/19/95/1023071995.db2.gz JTMAZRMKEYNHJN-SFHVURJKSA-N 0 1 317.816 3.791 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000769390591 1023139623 /nfs/dbraw/zinc/13/96/23/1023139623.db2.gz ZJMXCKNXDRHEHH-LBPRGKRZSA-N 0 1 305.805 3.814 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000769390591 1023139625 /nfs/dbraw/zinc/13/96/25/1023139625.db2.gz ZJMXCKNXDRHEHH-LBPRGKRZSA-N 0 1 305.805 3.814 20 10 DHCDMN COc1cccc(O)c1CN1CCc2cccc(F)c2[C@@H]1C ZINC000769425061 1023146201 /nfs/dbraw/zinc/14/62/01/1023146201.db2.gz OEFNSPQUYRZTDO-LBPRGKRZSA-N 0 1 301.361 3.659 20 10 DHCDMN COc1cccc(CN2CCc3cccc(F)c3[C@@H]2C)c1O ZINC000769425403 1023146774 /nfs/dbraw/zinc/14/67/74/1023146774.db2.gz PKXBSHGBFWBSJT-LBPRGKRZSA-N 0 1 301.361 3.659 20 10 DHCDMN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C1CCC1 ZINC000769467344 1023162074 /nfs/dbraw/zinc/16/20/74/1023162074.db2.gz UXFYAYGVCNWVNP-UHFFFAOYSA-N 0 1 314.223 3.538 20 10 DHCDMN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C1CCC1 ZINC000769467344 1023162079 /nfs/dbraw/zinc/16/20/79/1023162079.db2.gz UXFYAYGVCNWVNP-UHFFFAOYSA-N 0 1 314.223 3.538 20 10 DHCDMN C[N@H+](CCOCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000770306831 1023294968 /nfs/dbraw/zinc/29/49/68/1023294968.db2.gz QZHKBEDAHMKFRU-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN C[N@@H+](CCOCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000770306831 1023294975 /nfs/dbraw/zinc/29/49/75/1023294975.db2.gz QZHKBEDAHMKFRU-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN COc1cccc(O)c1CN(Cc1ccc(F)cc1)C1CC1 ZINC000771934829 1023489240 /nfs/dbraw/zinc/48/92/40/1023489240.db2.gz AUUJVWHZWOQZQW-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788584102 1023908794 /nfs/dbraw/zinc/90/87/94/1023908794.db2.gz MWXARQCDCDRNPU-CQSZACIVSA-N 0 1 319.811 3.717 20 10 DHCDMN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000186143529 1024055974 /nfs/dbraw/zinc/05/59/74/1024055974.db2.gz UBWORYCDCYDUQF-ZFWWWQNUSA-N 0 1 301.430 3.993 20 10 DHCDMN COc1ccc(OC)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000268785066 1024160351 /nfs/dbraw/zinc/16/03/51/1024160351.db2.gz ZQSSMXNFGGKSSP-AWEZNQCLSA-N 0 1 314.429 3.621 20 10 DHCDMN CSc1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000882943078 1024178644 /nfs/dbraw/zinc/17/86/44/1024178644.db2.gz DFUSFPDUJZJXCF-UHFFFAOYSA-N 0 1 302.443 3.674 20 10 DHCDMN COc1ccc2nc(CN(C)Cc3ccccc3O)sc2c1 ZINC000187246243 1024220873 /nfs/dbraw/zinc/22/08/73/1024220873.db2.gz YBVGZRSENITAMP-UHFFFAOYSA-N 0 1 314.410 3.643 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383033 1024415306 /nfs/dbraw/zinc/41/53/06/1024415306.db2.gz RSHUWMYFPQDVIF-HKUYNNGSSA-N 0 1 315.388 3.906 20 10 DHCDMN COCC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCCC1 ZINC000792162941 1024639129 /nfs/dbraw/zinc/63/91/29/1024639129.db2.gz SCWAZIWRJKIWFM-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000792162530 1024639180 /nfs/dbraw/zinc/63/91/80/1024639180.db2.gz KIKVUPLIDAZNCD-CQSZACIVSA-N 0 1 306.768 3.917 20 10 DHCDMN CCn1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)c1 ZINC000792182991 1024643355 /nfs/dbraw/zinc/64/33/55/1024643355.db2.gz LQBNHBKYVDCDLS-UHFFFAOYSA-N 0 1 323.234 3.608 20 10 DHCDMN CCn1ccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])c1 ZINC000792182991 1024643359 /nfs/dbraw/zinc/64/33/59/1024643359.db2.gz LQBNHBKYVDCDLS-UHFFFAOYSA-N 0 1 323.234 3.608 20 10 DHCDMN CCn1ccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])c1 ZINC000792182991 1024643365 /nfs/dbraw/zinc/64/33/65/1024643365.db2.gz LQBNHBKYVDCDLS-UHFFFAOYSA-N 0 1 323.234 3.608 20 10 DHCDMN CCc1noc(CC)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000166947719 1024662380 /nfs/dbraw/zinc/66/23/80/1024662380.db2.gz MYCUOLBNFMOUPY-ZDUSSCGKSA-N 0 1 301.434 3.716 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127459908 1024680286 /nfs/dbraw/zinc/68/02/86/1024680286.db2.gz ZIASVTNFABAOJV-AWEZNQCLSA-N 0 1 321.218 3.820 20 10 DHCDMN Cc1nccc(NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000792688805 1024783302 /nfs/dbraw/zinc/78/33/02/1024783302.db2.gz IOLLCAACSGUSNA-UHFFFAOYSA-N 0 1 301.821 3.678 20 10 DHCDMN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000793230074 1024943424 /nfs/dbraw/zinc/94/34/24/1024943424.db2.gz DXPOFWQOCXJKTC-GWCFXTLKSA-N 0 1 303.324 3.564 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000793231127 1024945324 /nfs/dbraw/zinc/94/53/24/1024945324.db2.gz LBSHKBYRJIVZOH-CMPLNLGQSA-N 0 1 304.331 3.664 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000793231127 1024945334 /nfs/dbraw/zinc/94/53/34/1024945334.db2.gz LBSHKBYRJIVZOH-CMPLNLGQSA-N 0 1 304.331 3.664 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000793397148 1025034162 /nfs/dbraw/zinc/03/41/62/1025034162.db2.gz WZCLWTJCVFISPC-UHFFFAOYSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000793610760 1025129135 /nfs/dbraw/zinc/12/91/35/1025129135.db2.gz XYHXIAOPGGHPNR-ZDUSSCGKSA-N 0 1 318.244 3.826 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc2O1 ZINC000793766050 1025156597 /nfs/dbraw/zinc/15/65/97/1025156597.db2.gz FUHNTQHHDKNEBB-CQSZACIVSA-N 0 1 320.392 3.724 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc2O1 ZINC000793766050 1025156603 /nfs/dbraw/zinc/15/66/03/1025156603.db2.gz FUHNTQHHDKNEBB-CQSZACIVSA-N 0 1 320.392 3.724 20 10 DHCDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877341939 1033287145 /nfs/dbraw/zinc/28/71/45/1033287145.db2.gz HLWRKUSIBLDTBX-IAQYHMDHSA-N 0 1 304.340 3.649 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCCC1 ZINC000804970811 1025515349 /nfs/dbraw/zinc/51/53/49/1025515349.db2.gz UTHPKVPTPVUOIN-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)CSC)c1cc(Br)ccc1[O-] ZINC000137415110 1025565983 /nfs/dbraw/zinc/56/59/83/1025565983.db2.gz DDCLPTXWXJPBHK-BXKDBHETSA-N 0 1 318.280 3.947 20 10 DHCDMN CCC[N@@H+](Cc1cnc2onc(C)c2c1)Cc1ccccc1O ZINC000893984665 1025644027 /nfs/dbraw/zinc/64/40/27/1025644027.db2.gz RZSNDQNRHDHJST-UHFFFAOYSA-N 0 1 311.385 3.649 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCc3c2nccc3Cl)cc1F ZINC000924861941 1025741762 /nfs/dbraw/zinc/74/17/62/1025741762.db2.gz MKLIUTROOYVZJZ-HNNXBMFYSA-N 0 1 319.811 3.717 20 10 DHCDMN C[C@@H](NCc1cc(C2CC2)no1)c1cc2c(cc1O)CCCC2 ZINC000886684253 1025785593 /nfs/dbraw/zinc/78/55/93/1025785593.db2.gz IIHFHGSZMVTOCE-GFCCVEGCSA-N 0 1 312.413 3.987 20 10 DHCDMN COc1c(Cl)cccc1CNCc1ccc(N(C)C)cc1 ZINC000897482671 1025864171 /nfs/dbraw/zinc/86/41/71/1025864171.db2.gz DXJOEVHJFSYWMG-UHFFFAOYSA-N 0 1 304.821 3.704 20 10 DHCDMN C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000886774850 1025893294 /nfs/dbraw/zinc/89/32/94/1025893294.db2.gz WSIMFKUSURUFQP-SUMWQHHRSA-N 0 1 307.409 3.921 20 10 DHCDMN CCCCO[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840080 1026124320 /nfs/dbraw/zinc/12/43/20/1026124320.db2.gz XGFAPFUHPFKGPC-VIFPVBQESA-N 0 1 320.216 3.520 20 10 DHCDMN O=C(CC1CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840280 1026124668 /nfs/dbraw/zinc/12/46/68/1026124668.db2.gz WTFNNDJRNXNESG-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC12CCCC2 ZINC000807837734 1026128449 /nfs/dbraw/zinc/12/84/49/1026128449.db2.gz BYMUJVMMKXOZPK-LLVKDONJSA-N 0 1 314.212 3.896 20 10 DHCDMN Cc1c[nH]nc1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000289812993 1026185639 /nfs/dbraw/zinc/18/56/39/1026185639.db2.gz IYBZFDXCMOOWSB-UHFFFAOYSA-N 0 1 312.461 3.777 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccnc(C2CC2)n1 ZINC000808090337 1026203250 /nfs/dbraw/zinc/20/32/50/1026203250.db2.gz ZKQKAJNAQMYYRJ-UHFFFAOYSA-N 0 1 310.184 3.979 20 10 DHCDMN Cc1cc(CN(C(C)C)C2COC2)ccc1N1CCCCC1 ZINC001170550872 1026266637 /nfs/dbraw/zinc/26/66/37/1026266637.db2.gz UCKOBVUDBPYNNY-UHFFFAOYSA-N 0 1 302.462 3.595 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)NCc2cn3ccccc3n2)c1O ZINC000808672445 1026353857 /nfs/dbraw/zinc/35/38/57/1026353857.db2.gz OARWYOPUYGKWEH-LBPRGKRZSA-N 0 1 315.804 3.853 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1[O-] ZINC000808702405 1026375664 /nfs/dbraw/zinc/37/56/64/1026375664.db2.gz GXSYOZCLKLYLHE-DDUYRFODSA-N 0 1 309.837 3.962 20 10 DHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700478 1026586978 /nfs/dbraw/zinc/58/69/78/1026586978.db2.gz HJLOGJGLSBXILM-RISCZKNCSA-N 0 1 315.816 3.700 20 10 DHCDMN C[C@H](CO)[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CCC1 ZINC000809664084 1026588899 /nfs/dbraw/zinc/58/88/99/1026588899.db2.gz AHWJOQAEMLTBTE-SNVBAGLBSA-N 0 1 318.244 3.682 20 10 DHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000809707622 1026600210 /nfs/dbraw/zinc/60/02/10/1026600210.db2.gz JQJZIRGKILCGQP-UHFFFAOYSA-N 0 1 313.800 3.576 20 10 DHCDMN CC[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265627 1026622982 /nfs/dbraw/zinc/62/29/82/1026622982.db2.gz XMMSPSJRZOINCO-HOTGVXAUSA-N 0 1 321.367 3.753 20 10 DHCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)OCCc2sccc21 ZINC000810170139 1026691429 /nfs/dbraw/zinc/69/14/29/1026691429.db2.gz FSSAMYZDZNBOBN-MRXNPFEDSA-N 0 1 323.845 3.685 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217209 1026710453 /nfs/dbraw/zinc/71/04/53/1026710453.db2.gz YTJVIYBOWNPJDI-WCQYABFASA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+]CC(C)(C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221007 1026711404 /nfs/dbraw/zinc/71/14/04/1026711404.db2.gz JAOJDTCRFCHTNV-ZDUSSCGKSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223059 1026711805 /nfs/dbraw/zinc/71/18/05/1026711805.db2.gz HCZFDSJIDVBGOL-ZWNOBZJWSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222396 1026712162 /nfs/dbraw/zinc/71/21/62/1026712162.db2.gz RZTWLXUSCSHVAM-SMDDNHRTSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237074 1026723996 /nfs/dbraw/zinc/72/39/96/1026723996.db2.gz DWFZSVAQBDOXGE-GXFFZTMASA-N 0 1 305.340 3.613 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000811511526 1027028547 /nfs/dbraw/zinc/02/85/47/1027028547.db2.gz LOJUJTARDCLIOM-ZDUSSCGKSA-N 0 1 315.816 3.964 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513653 1027029243 /nfs/dbraw/zinc/02/92/43/1027029243.db2.gz LUERBGNZBPAYJA-OAHLLOKOSA-N 0 1 322.246 3.919 20 10 DHCDMN CCC[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000812576180 1027328891 /nfs/dbraw/zinc/32/88/91/1027328891.db2.gz VPHZTXULXSCNMR-LDYMZIIASA-N 0 1 302.201 3.751 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2ncc(C(C)C)s2)c1 ZINC000813331152 1027608705 /nfs/dbraw/zinc/60/87/05/1027608705.db2.gz MAKFDTLGVVIMQL-LLVKDONJSA-N 0 1 306.431 3.832 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1F ZINC000363532258 1027664898 /nfs/dbraw/zinc/66/48/98/1027664898.db2.gz HWRQAANJYVCRAO-INIZCTEOSA-N 0 1 316.424 3.562 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2O)[C@H](C)CO1 ZINC000779021301 1027868831 /nfs/dbraw/zinc/86/88/31/1027868831.db2.gz YOXPUEDBDDUDHM-AUUYWEPGSA-N 0 1 315.388 3.802 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2O)[C@H](C)CO1 ZINC000779021305 1027869269 /nfs/dbraw/zinc/86/92/69/1027869269.db2.gz YOXPUEDBDDUDHM-KUHUBIRLSA-N 0 1 315.388 3.802 20 10 DHCDMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000779025936 1027919196 /nfs/dbraw/zinc/91/91/96/1027919196.db2.gz QPUQRJJOWMBTCV-AWEZNQCLSA-N 0 1 317.404 3.851 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000528002712 1028026898 /nfs/dbraw/zinc/02/68/98/1028026898.db2.gz QLFYBCASHQUNPC-IUODEOHRSA-N 0 1 308.853 3.713 20 10 DHCDMN CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(F)cn1 ZINC000779063953 1028136771 /nfs/dbraw/zinc/13/67/71/1028136771.db2.gz FAFRPKYFXSYMEH-KRWDZBQOSA-N 0 1 301.409 3.836 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367436439 1028183637 /nfs/dbraw/zinc/18/36/37/1028183637.db2.gz FUBIQQOLAMMFOD-OAHLLOKOSA-N 0 1 316.228 3.702 20 10 DHCDMN COc1ccc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001138482603 1028424523 /nfs/dbraw/zinc/42/45/23/1028424523.db2.gz IIKGWKCHLFMRJW-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000815647998 1028592054 /nfs/dbraw/zinc/59/20/54/1028592054.db2.gz BHMQGQGJMCJRMQ-JSGCOSHPSA-N 0 1 311.853 3.885 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(Br)o1 ZINC000189501954 1028595443 /nfs/dbraw/zinc/59/54/43/1028595443.db2.gz BVHRFOLTHJLPQI-UHFFFAOYSA-N 0 1 316.582 3.691 20 10 DHCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816508155 1028911758 /nfs/dbraw/zinc/91/17/58/1028911758.db2.gz DJTUYQFEYBXPIT-CYBMUJFWSA-N 0 1 315.816 3.966 20 10 DHCDMN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816519457 1028916878 /nfs/dbraw/zinc/91/68/78/1028916878.db2.gz JSERGWNJNZXBGG-SFHVURJKSA-N 0 1 321.424 3.788 20 10 DHCDMN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816519457 1028916892 /nfs/dbraw/zinc/91/68/92/1028916892.db2.gz JSERGWNJNZXBGG-SFHVURJKSA-N 0 1 321.424 3.788 20 10 DHCDMN Oc1c(CN2CCO[C@H](c3ccco3)C2)ccc2ccccc21 ZINC000816518599 1028919222 /nfs/dbraw/zinc/91/92/22/1028919222.db2.gz HLXIAKQETICBQJ-SFHVURJKSA-N 0 1 309.365 3.712 20 10 DHCDMN COc1ccccc1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528963 1028920688 /nfs/dbraw/zinc/92/06/88/1028920688.db2.gz AFOCYWURUKDFLC-UHFFFAOYSA-N 0 1 307.393 3.886 20 10 DHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC[C@@H](C)C1 ZINC000816535610 1028923237 /nfs/dbraw/zinc/92/32/37/1028923237.db2.gz UMSGAQAFWZUJAA-CVEARBPZSA-N 0 1 312.457 3.755 20 10 DHCDMN COc1nc(C)cc(C)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816546650 1028930808 /nfs/dbraw/zinc/93/08/08/1028930808.db2.gz QQIKKSDKBJDIAE-UHFFFAOYSA-N 0 1 322.408 3.856 20 10 DHCDMN C[NH+](C)CCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816526073 1028935153 /nfs/dbraw/zinc/93/51/53/1028935153.db2.gz SCRUZLHMEDPNTJ-UHFFFAOYSA-N 0 1 322.811 3.901 20 10 DHCDMN Cc1cccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816556272 1028941251 /nfs/dbraw/zinc/94/12/51/1028941251.db2.gz DXQWASYGJVHMEK-LJQANCHMSA-N 0 1 307.393 3.677 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc2ccccc21 ZINC000816593992 1028953131 /nfs/dbraw/zinc/95/31/31/1028953131.db2.gz LYQQAFHEBLONJX-GOSISDBHSA-N 0 1 320.392 3.594 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc2ccccc21 ZINC000816593992 1028953148 /nfs/dbraw/zinc/95/31/48/1028953148.db2.gz LYQQAFHEBLONJX-GOSISDBHSA-N 0 1 320.392 3.594 20 10 DHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624755 1028953765 /nfs/dbraw/zinc/95/37/65/1028953765.db2.gz GVLFIFNBPXSVEN-IBGZPJMESA-N 0 1 321.420 3.581 20 10 DHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624755 1028953777 /nfs/dbraw/zinc/95/37/77/1028953777.db2.gz GVLFIFNBPXSVEN-IBGZPJMESA-N 0 1 321.420 3.581 20 10 DHCDMN COc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1O ZINC000816610275 1028960381 /nfs/dbraw/zinc/96/03/81/1028960381.db2.gz FHAHDKOSYYBJFL-UHFFFAOYSA-N 0 1 309.365 3.549 20 10 DHCDMN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816617401 1028962418 /nfs/dbraw/zinc/96/24/18/1028962418.db2.gz XVSADEOOIJGALD-JTQLQIEISA-N 0 1 303.830 3.760 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667923 1028991680 /nfs/dbraw/zinc/99/16/80/1028991680.db2.gz ZZDVZFDSVXHHQQ-KRWDZBQOSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817419825 1029155707 /nfs/dbraw/zinc/15/57/07/1029155707.db2.gz YQQRHKDQJQYWQX-NSHDSACASA-N 0 1 318.244 3.684 20 10 DHCDMN Cc1ccc(O)c(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000155255616 1029212501 /nfs/dbraw/zinc/21/25/01/1029212501.db2.gz IHPSAIBXMZANKN-SFHVURJKSA-N 0 1 317.816 3.928 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817959421 1029301292 /nfs/dbraw/zinc/30/12/92/1029301292.db2.gz REMFYFNMXMUJNE-NWDGAFQWSA-N 0 1 305.249 3.723 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374472963 1029352017 /nfs/dbraw/zinc/35/20/17/1029352017.db2.gz SBZAHRLYLGJERO-KDOFPFPSSA-N 0 1 317.816 3.913 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374472965 1029353212 /nfs/dbraw/zinc/35/32/12/1029353212.db2.gz SBZAHRLYLGJERO-RDTXWAMCSA-N 0 1 317.816 3.913 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CCOCC1 ZINC000156026186 1029363610 /nfs/dbraw/zinc/36/36/10/1029363610.db2.gz MNPWHXHXQQAIBS-UHFFFAOYSA-N 0 1 304.217 3.557 20 10 DHCDMN Oc1cccc2c1C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943911 1029677373 /nfs/dbraw/zinc/67/73/73/1029677373.db2.gz OASGLEHTYPEPDW-OAHLLOKOSA-N 0 1 313.828 3.961 20 10 DHCDMN CCCN(CCC)c1ccc(CNCc2conc2C)cc1 ZINC000865677542 1029974038 /nfs/dbraw/zinc/97/40/38/1029974038.db2.gz BLEVPRATDFEROE-UHFFFAOYSA-N 0 1 301.434 3.899 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530019 1030045306 /nfs/dbraw/zinc/04/53/06/1030045306.db2.gz NNJGCCJXHQUENY-QGZVFWFLSA-N 0 1 321.848 3.827 20 10 DHCDMN CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC(F)(F)C1 ZINC000822949885 1030167942 /nfs/dbraw/zinc/16/79/42/1030167942.db2.gz TUBZWFSYVMUPPT-UHFFFAOYSA-N 0 1 324.154 3.751 20 10 DHCDMN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(OC)n1 ZINC000924861130 1030211177 /nfs/dbraw/zinc/21/11/77/1030211177.db2.gz IHHSHMKBJVJADE-HNNXBMFYSA-N 0 1 317.408 3.536 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C2CCC2)c1 ZINC000924862968 1030212547 /nfs/dbraw/zinc/21/25/47/1030212547.db2.gz SUPMLFRUYVFFDD-CYBMUJFWSA-N 0 1 316.424 3.664 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777554198 1030336611 /nfs/dbraw/zinc/33/66/11/1030336611.db2.gz VBQARVQUBLBDEA-KRWDZBQOSA-N 0 1 311.425 3.936 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634947 1030415310 /nfs/dbraw/zinc/41/53/10/1030415310.db2.gz WDALFBQHPBMXFT-KGLIPLIRSA-N 0 1 305.809 3.818 20 10 DHCDMN Cc1nc([C@H](C)NCc2ccc(N(C)C)cc2C)c(C)s1 ZINC000772878436 1030472636 /nfs/dbraw/zinc/47/26/36/1030472636.db2.gz KPUBLFNOLAZTDL-LBPRGKRZSA-N 0 1 303.475 3.985 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2cc(Cl)c(C)cc2O)on1 ZINC000824596322 1030591375 /nfs/dbraw/zinc/59/13/75/1030591375.db2.gz DWWKNSXBJRQNJU-CQSZACIVSA-N 0 1 306.793 3.988 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824609381 1030595505 /nfs/dbraw/zinc/59/55/05/1030595505.db2.gz YOFJJMFGECSNIC-SMDDNHRTSA-N 0 1 319.367 3.860 20 10 DHCDMN Cc1cnc(CC[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000824895223 1030659843 /nfs/dbraw/zinc/65/98/43/1030659843.db2.gz SOVNFPLFTPZPTL-UHFFFAOYSA-N 0 1 310.850 3.793 20 10 DHCDMN Cc1cnc(CC[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000824895223 1030659863 /nfs/dbraw/zinc/65/98/63/1030659863.db2.gz SOVNFPLFTPZPTL-UHFFFAOYSA-N 0 1 310.850 3.793 20 10 DHCDMN CC[N@H+](CCc1nccs1)Cc1cc(Cl)c(C)cc1[O-] ZINC000824895081 1030660778 /nfs/dbraw/zinc/66/07/78/1030660778.db2.gz QDNRHIZSJOXMEQ-UHFFFAOYSA-N 0 1 310.850 3.875 20 10 DHCDMN CC[N@@H+](CCc1nccs1)Cc1cc(Cl)c(C)cc1[O-] ZINC000824895081 1030660781 /nfs/dbraw/zinc/66/07/81/1030660781.db2.gz QDNRHIZSJOXMEQ-UHFFFAOYSA-N 0 1 310.850 3.875 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939590 1030678122 /nfs/dbraw/zinc/67/81/22/1030678122.db2.gz YCUQMCXXHQXJKQ-KBPBESRZSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939590 1030678126 /nfs/dbraw/zinc/67/81/26/1030678126.db2.gz YCUQMCXXHQXJKQ-KBPBESRZSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824939590 1030678130 /nfs/dbraw/zinc/67/81/30/1030678130.db2.gz YCUQMCXXHQXJKQ-KBPBESRZSA-N 0 1 309.837 3.603 20 10 DHCDMN COc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000824982545 1030694592 /nfs/dbraw/zinc/69/45/92/1030694592.db2.gz HIXSTENROGZQHT-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Oc1ccc(F)cc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045306 1030707804 /nfs/dbraw/zinc/70/78/04/1030707804.db2.gz CYQWIUPBFDOISV-GFCCVEGCSA-N 0 1 311.278 3.726 20 10 DHCDMN CCCc1ncc(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000825079452 1030719961 /nfs/dbraw/zinc/71/99/61/1030719961.db2.gz UROMUXPPEQWVSJ-UHFFFAOYSA-N 0 1 313.445 3.907 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133250 1030735076 /nfs/dbraw/zinc/73/50/76/1030735076.db2.gz APJJSSFOZGOSKG-HNNXBMFYSA-N 0 1 316.228 3.702 20 10 DHCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000825322045 1030773283 /nfs/dbraw/zinc/77/32/83/1030773283.db2.gz WBRGIFGZGMHCAE-NSHDSACASA-N 0 1 318.244 3.948 20 10 DHCDMN COc1cc(C)cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825371130 1030792249 /nfs/dbraw/zinc/79/22/49/1030792249.db2.gz UECYEZNABXCDST-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1Cl ZINC000825394493 1030801162 /nfs/dbraw/zinc/80/11/62/1030801162.db2.gz AVACWPMLEYIVSC-NHYWBVRUSA-N 0 1 309.793 3.549 20 10 DHCDMN CCOc1cccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000292864070 1031223741 /nfs/dbraw/zinc/22/37/41/1031223741.db2.gz VQVAPLNIUQYUML-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN CC(F)(F)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000296213452 1031406694 /nfs/dbraw/zinc/40/66/94/1031406694.db2.gz ZWJDHSMSHNQDGG-UHFFFAOYSA-N 0 1 308.166 3.680 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1F ZINC000872023463 1031408438 /nfs/dbraw/zinc/40/84/38/1031408438.db2.gz SCOAYPNNHGWKQS-CQSZACIVSA-N 0 1 314.404 3.982 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299928 1031439822 /nfs/dbraw/zinc/43/98/22/1031439822.db2.gz MQWMVUMCMBVDOG-UHFFFAOYSA-N 0 1 302.187 3.526 20 10 DHCDMN CCCC[N@@H+](CC)Cc1cc(Br)c(F)cc1[O-] ZINC001144299497 1031438909 /nfs/dbraw/zinc/43/89/09/1031438909.db2.gz YJLMSUILIBTTCK-UHFFFAOYSA-N 0 1 304.203 3.916 20 10 DHCDMN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc2ccccc2c1[O-] ZINC000872111649 1031504069 /nfs/dbraw/zinc/50/40/69/1031504069.db2.gz FNVKOTSLEGHRFJ-DZGCQCFKSA-N 0 1 313.397 3.539 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000360888941 1031606733 /nfs/dbraw/zinc/60/67/33/1031606733.db2.gz QLIRIYLJGODZKY-PIGZYNQJSA-N 0 1 317.360 3.542 20 10 DHCDMN COC/C(C)=C\CN(Cc1ccco1)Cc1ccccc1O ZINC000929970061 1031664365 /nfs/dbraw/zinc/66/43/65/1031664365.db2.gz HTLHLNVGQRSXCU-DHDCSXOGSA-N 0 1 301.386 3.580 20 10 DHCDMN CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000361064767 1031705751 /nfs/dbraw/zinc/70/57/51/1031705751.db2.gz BQYQUSITWXUGFF-HNNXBMFYSA-N 0 1 317.408 3.516 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2ncc(CSC)s2)c1 ZINC000845971373 1031788047 /nfs/dbraw/zinc/78/80/47/1031788047.db2.gz JFYRDYHJXJPKNJ-SNVBAGLBSA-N 0 1 324.471 3.571 20 10 DHCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000845970905 1031789322 /nfs/dbraw/zinc/78/93/22/1031789322.db2.gz FQWGFYOFTCQENU-LLVKDONJSA-N 0 1 321.804 3.919 20 10 DHCDMN CCn1cc(C[N@@H+](Cc2cccc(Cl)c2[O-])C(C)C)cn1 ZINC000846054488 1031849841 /nfs/dbraw/zinc/84/98/41/1031849841.db2.gz CGRLWOOLXDTTPZ-UHFFFAOYSA-N 0 1 307.825 3.673 20 10 DHCDMN CCc1nc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)cs1 ZINC000846148148 1031883190 /nfs/dbraw/zinc/88/31/90/1031883190.db2.gz XRUMQTDCKXXQMY-GHMZBOCLSA-N 0 1 306.431 3.832 20 10 DHCDMN COc1cccc([C@@H](C)NCc2c(Cl)cccc2OC)c1O ZINC000846167276 1031894527 /nfs/dbraw/zinc/89/45/27/1031894527.db2.gz VXMYDJKRERWEES-LLVKDONJSA-N 0 1 321.804 3.914 20 10 DHCDMN COc1cccc([C@H](C)N[C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000846171098 1031897905 /nfs/dbraw/zinc/89/79/05/1031897905.db2.gz DBKHPVXVJAQMRY-BJOOFOGMSA-N 0 1 301.361 3.689 20 10 DHCDMN CC[C@H]([NH2+]C1CC(CCO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000898009891 1031907247 /nfs/dbraw/zinc/90/72/47/1031907247.db2.gz AZZXDIRXCQMCER-OVGLSYRBSA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1F ZINC000846182413 1031916815 /nfs/dbraw/zinc/91/68/15/1031916815.db2.gz JPWHSYRWZFOIKG-RVPKQNPDSA-N 0 1 323.795 3.957 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898072131 1031943630 /nfs/dbraw/zinc/94/36/30/1031943630.db2.gz YKZBPEMMIZXNHS-NSHDSACASA-N 0 1 308.834 3.567 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898072131 1031943645 /nfs/dbraw/zinc/94/36/45/1031943645.db2.gz YKZBPEMMIZXNHS-NSHDSACASA-N 0 1 308.834 3.567 20 10 DHCDMN Cc1cnc(C(C)(C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000294373287 1031964821 /nfs/dbraw/zinc/96/48/21/1031964821.db2.gz BCKKYLYXGFETQY-UHFFFAOYSA-N 0 1 303.475 3.851 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1Cl ZINC000898319231 1032034271 /nfs/dbraw/zinc/03/42/71/1032034271.db2.gz AZECZGWLZOKREB-QGZVFWFLSA-N 0 1 302.805 3.990 20 10 DHCDMN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877563009 1033357602 /nfs/dbraw/zinc/35/76/02/1033357602.db2.gz FAVAEYYTZAOKPC-SCZZXKLOSA-N 0 1 309.278 3.833 20 10 DHCDMN CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000927066340 1033487919 /nfs/dbraw/zinc/48/79/19/1033487919.db2.gz BHYWFDYVVHFSJJ-BZNIZROVSA-N 0 1 307.825 3.827 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@](C)(CC)c2nccs2)c1 ZINC000152603029 1033531935 /nfs/dbraw/zinc/53/19/35/1033531935.db2.gz BRNXKKVQLKCMET-INIZCTEOSA-N 0 1 306.431 3.662 20 10 DHCDMN C[C@H](O)C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000153250549 1033568642 /nfs/dbraw/zinc/56/86/42/1033568642.db2.gz LQUBFAQJEVFGFU-DZGCQCFKSA-N 0 1 319.832 3.690 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541525 1033882482 /nfs/dbraw/zinc/88/24/82/1033882482.db2.gz VNSGQBKFUTUZFV-LBPRGKRZSA-N 0 1 321.779 3.880 20 10 DHCDMN CC[C@@](C)(NCc1ccc2c(c1)CCO2)c1nc(C)cs1 ZINC000174498393 1033937800 /nfs/dbraw/zinc/93/78/00/1033937800.db2.gz SNFICDDFMPJBAI-QGZVFWFLSA-N 0 1 302.443 3.801 20 10 DHCDMN Cc1cc(CN2CCO[C@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000863315897 1034061137 /nfs/dbraw/zinc/06/11/37/1034061137.db2.gz HORFMJMRUFDHQY-OAHLLOKOSA-N 0 1 309.425 3.559 20 10 DHCDMN C[C@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000879650690 1034074687 /nfs/dbraw/zinc/07/46/87/1034074687.db2.gz NQGPEARDJRTAFE-QMMMGPOBSA-N 0 1 302.321 3.718 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000184998926 1034519029 /nfs/dbraw/zinc/51/90/29/1034519029.db2.gz QGOCZFZXJGXRBG-CABCVRRESA-N 0 1 314.404 3.708 20 10 DHCDMN CC[C@H](NCc1cn(-c2ccccc2)nn1)c1ccc(C)cc1O ZINC000794816039 1034527446 /nfs/dbraw/zinc/52/74/46/1034527446.db2.gz MTWZEMURWUUGPL-SFHVURJKSA-N 0 1 322.412 3.522 20 10 DHCDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1O ZINC000185300623 1034540528 /nfs/dbraw/zinc/54/05/28/1034540528.db2.gz FELNEEDGVAQBCP-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000185518539 1034553657 /nfs/dbraw/zinc/55/36/57/1034553657.db2.gz QBZFJUDQPLFONY-MEBBXXQBSA-N 0 1 311.834 3.665 20 10 DHCDMN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185528733 1034554851 /nfs/dbraw/zinc/55/48/51/1034554851.db2.gz HFSOWCLSQDHZDN-BMIGLBTASA-N 0 1 311.834 3.665 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185525140 1034554903 /nfs/dbraw/zinc/55/49/03/1034554903.db2.gz MECKTVWSYSCLFS-DZGCQCFKSA-N 0 1 319.832 3.862 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000185548159 1034556223 /nfs/dbraw/zinc/55/62/23/1034556223.db2.gz LCDQWQPRTYHNLP-MLGOLLRUSA-N 0 1 319.401 3.595 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2cc(C)ccc2O)o1 ZINC000185547993 1034556278 /nfs/dbraw/zinc/55/62/78/1034556278.db2.gz LJHYWBPNTZDNML-CZUORRHYSA-N 0 1 303.402 3.894 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2cc(C)ccc2O)o1 ZINC000185548013 1034557997 /nfs/dbraw/zinc/55/79/97/1034557997.db2.gz LJHYWBPNTZDNML-CJNGLKHVSA-N 0 1 303.402 3.894 20 10 DHCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000186131112 1034600885 /nfs/dbraw/zinc/60/08/85/1034600885.db2.gz WNNJUJFPCCLOJP-GXTWGEPZSA-N 0 1 309.413 3.859 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)c(Cl)c1 ZINC001177278137 1035363255 /nfs/dbraw/zinc/36/32/55/1035363255.db2.gz RZUAPJAGRCYLCF-ZIAGYGMSSA-N 0 1 310.869 3.707 20 10 DHCDMN O=C(Nc1ccc2ccncc2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193624699 1035676692 /nfs/dbraw/zinc/67/66/92/1035676692.db2.gz JROGMRDYJMJFBD-UHFFFAOYSA-N 0 1 314.728 3.552 20 10 DHCDMN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC001180557789 1035718734 /nfs/dbraw/zinc/71/87/34/1035718734.db2.gz GTYQAGPLAZQERX-UHFFFAOYSA-N 0 1 300.402 3.519 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001181526228 1035935593 /nfs/dbraw/zinc/93/55/93/1035935593.db2.gz VKYNBMIHMBVCCT-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001181526228 1035935608 /nfs/dbraw/zinc/93/56/08/1035935608.db2.gz VKYNBMIHMBVCCT-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC001181675619 1035962753 /nfs/dbraw/zinc/96/27/53/1035962753.db2.gz SVOOUJFCGBZEHN-UHFFFAOYSA-N 0 1 301.336 3.960 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001182327334 1036226581 /nfs/dbraw/zinc/22/65/81/1036226581.db2.gz RTWFYMAARNGKMG-OAHLLOKOSA-N 0 1 315.841 3.904 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775658757 1036267015 /nfs/dbraw/zinc/26/70/15/1036267015.db2.gz PZXLBKVNTOTDCG-LZWOXQAQSA-N 0 1 322.880 3.883 20 10 DHCDMN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1n[nH]c(C)c1C ZINC001182471616 1036356403 /nfs/dbraw/zinc/35/64/03/1036356403.db2.gz ZJTUCPMLNCSSCL-MRXNPFEDSA-N 0 1 313.445 3.870 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC001183155054 1036527136 /nfs/dbraw/zinc/52/71/36/1036527136.db2.gz AZTHZPJXECBZMN-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC2(CC2)CC1 ZINC001183155054 1036527147 /nfs/dbraw/zinc/52/71/47/1036527147.db2.gz AZTHZPJXECBZMN-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN COc1cccc(-c2nc(CN[C@@H](C)c3ccccc3O)co2)c1 ZINC001197004117 1036668198 /nfs/dbraw/zinc/66/81/98/1036668198.db2.gz NPZZDUIKKLSEQR-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN Oc1c(CNCc2nc3ccccc3o2)ccc2ccccc21 ZINC001183908976 1036705459 /nfs/dbraw/zinc/70/54/59/1036705459.db2.gz IASOWVUWGMYGGG-UHFFFAOYSA-N 0 1 304.349 3.976 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762614041 1036874335 /nfs/dbraw/zinc/87/43/35/1036874335.db2.gz MFPADIDKLACWKT-MRVWCRGKSA-N 0 1 315.891 3.515 20 10 DHCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC001326116496 1037111674 /nfs/dbraw/zinc/11/16/74/1037111674.db2.gz QXHPZRXHDIPVQL-MNOVXSKESA-N 0 1 313.825 3.817 20 10 DHCDMN CCO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000775028496 1037430875 /nfs/dbraw/zinc/43/08/75/1037430875.db2.gz RLYDFOUGZLLQIG-QGZVFWFLSA-N 0 1 305.805 3.913 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001203649752 1037524136 /nfs/dbraw/zinc/52/41/36/1037524136.db2.gz FIDNJARKJPMXGC-UHFFFAOYSA-N 0 1 310.235 3.777 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000164488818 1038203158 /nfs/dbraw/zinc/20/31/58/1038203158.db2.gz LMCVEGBZAJMZBO-MRXNPFEDSA-N 0 1 303.427 3.644 20 10 DHCDMN CC[C@H](NCc1csc([C@@H](C)OC)n1)c1ccccc1O ZINC000775414916 1038393426 /nfs/dbraw/zinc/39/34/26/1038393426.db2.gz LKSDIQWOHRJVFR-RISCZKNCSA-N 0 1 306.431 3.797 20 10 DHCDMN CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001190904209 1038407062 /nfs/dbraw/zinc/40/70/62/1038407062.db2.gz KWTDIQYOSWXHCT-SFHVURJKSA-N 0 1 305.462 3.934 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1[O-] ZINC000775500903 1038591317 /nfs/dbraw/zinc/59/13/17/1038591317.db2.gz AOUOMFBMKDREIC-MRXNPFEDSA-N 0 1 305.805 3.779 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775508676 1038593223 /nfs/dbraw/zinc/59/32/23/1038593223.db2.gz DWVQIPHAWHOCPT-YUDUHTQSSA-N 0 1 309.837 3.900 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775508448 1038593353 /nfs/dbraw/zinc/59/33/53/1038593353.db2.gz CGPAIJBLJHDQNJ-DZGCQCFKSA-N 0 1 309.793 3.721 20 10 DHCDMN CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775503882 1038598582 /nfs/dbraw/zinc/59/85/82/1038598582.db2.gz OTOSSOQOPLODQO-LBPRGKRZSA-N 0 1 324.774 3.580 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775510843 1038602376 /nfs/dbraw/zinc/60/23/76/1038602376.db2.gz AANWMNLARPPXCU-YOEHRIQHSA-N 0 1 319.832 3.862 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775555218 1038711648 /nfs/dbraw/zinc/71/16/48/1038711648.db2.gz UHSULFRQAZBIMO-KBPBESRZSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000022169318 182312161 /nfs/dbraw/zinc/31/21/61/182312161.db2.gz XBDUNJDNEQZDGP-ZDUSSCGKSA-N 0 1 310.191 3.989 20 10 DHCDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553565 130135597 /nfs/dbraw/zinc/13/55/97/130135597.db2.gz GLGLXFGFAOHNJV-ZJUUUORDSA-N 0 1 305.249 3.690 20 10 DHCDMN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000299193676 132093510 /nfs/dbraw/zinc/09/35/10/132093510.db2.gz GZNMRKWEIIZDPV-UHFFFAOYSA-N 0 1 301.459 3.682 20 10 DHCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186075338 333372003 /nfs/dbraw/zinc/37/20/03/333372003.db2.gz UUCOXDKBIOHWKT-KBPBESRZSA-N 0 1 301.430 3.993 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@@H]2COc3c2cccc3Cl)c1 ZINC000375243242 337006428 /nfs/dbraw/zinc/00/64/28/337006428.db2.gz VWZARFYSHDYZNC-MEBBXXQBSA-N 0 1 319.788 3.839 20 10 DHCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000378636941 337077287 /nfs/dbraw/zinc/07/72/87/337077287.db2.gz YKMXGDQMQKAIEI-GFCCVEGCSA-N 0 1 304.217 3.700 20 10 DHCDMN Oc1ccc(Cl)cc1CNCc1ncoc1-c1ccccc1 ZINC000360035853 337084172 /nfs/dbraw/zinc/08/41/72/337084172.db2.gz KYLWJTBVAJQJRA-UHFFFAOYSA-N 0 1 314.772 3.990 20 10 DHCDMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000185466139 337205551 /nfs/dbraw/zinc/20/55/51/337205551.db2.gz MZAUMMKSDFRHRV-NQZBTDCJSA-N 0 1 319.404 3.854 20 10 DHCDMN CC[C@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317670 522754025 /nfs/dbraw/zinc/75/40/25/522754025.db2.gz KNMVURVDZIIFLV-GJZGRUSLSA-N 0 1 314.433 3.683 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000229564777 522941059 /nfs/dbraw/zinc/94/10/59/522941059.db2.gz WFXLDRIPPAJPIK-NOZJJQNGSA-N 0 1 324.222 3.680 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158092122 525944046 /nfs/dbraw/zinc/94/40/46/525944046.db2.gz PSIOSHHKCDUGGU-CVEARBPZSA-N 0 1 314.429 3.836 20 10 DHCDMN Cc1cc(O)c(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1C(C)C ZINC000738463799 599936006 /nfs/dbraw/zinc/93/60/06/599936006.db2.gz NNNGGTRLSQWMCR-CYBMUJFWSA-N 0 1 305.418 3.509 20 10 DHCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1O ZINC000829496550 601947009 /nfs/dbraw/zinc/94/70/09/601947009.db2.gz ICELRHQLFOZRLD-UHFFFAOYSA-N 0 1 305.399 3.564 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829496442 604770192 /nfs/dbraw/zinc/77/01/92/604770192.db2.gz AMSPGFDJFCFAFA-KRWDZBQOSA-N 0 1 317.360 3.569 20 10 DHCDMN COc1cc(CN2CCO[C@@H](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000777968500 1032065638 /nfs/dbraw/zinc/06/56/38/1032065638.db2.gz LBLZWGYOYNWJJU-QGZVFWFLSA-N 0 1 321.461 3.555 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000809713570 1026601004 /nfs/dbraw/zinc/60/10/04/1026601004.db2.gz UAQGPRSJYVOABS-KGLIPLIRSA-N 0 1 310.235 3.823 20 10 DHCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001591973950 976582600 /nfs/dbraw/zinc/58/26/00/976582600.db2.gz LMNCXSLBOYOQCH-CQSZACIVSA-N 0 1 305.418 3.592 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000019231059 1014365308 /nfs/dbraw/zinc/36/53/08/1014365308.db2.gz RACCGLNUJGSKHD-UHFFFAOYSA-N 0 1 318.829 3.988 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC000706822040 1014621145 /nfs/dbraw/zinc/62/11/45/1014621145.db2.gz WRFIIQROQZDBRZ-MGULZYLOSA-N 0 1 310.235 3.823 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CCc1ccc(F)cc1 ZINC000706842413 1014653768 /nfs/dbraw/zinc/65/37/68/1014653768.db2.gz HWZWDSZWCKLLLE-UHFFFAOYSA-N 0 1 324.193 3.626 20 10 DHCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc(C)c1O ZINC001595362573 980772177 /nfs/dbraw/zinc/77/21/77/980772177.db2.gz KEFSRRREZYEEJC-QGZVFWFLSA-N 0 1 313.397 3.739 20 10 DHCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])ccn1 ZINC000834859627 1014824846 /nfs/dbraw/zinc/82/48/46/1014824846.db2.gz GIWWHPCZPGGESY-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN CCc1cc(CN2CCOC[C@@H]2CC)c(O)c(C(C)(C)C)c1 ZINC000738085243 1015397428 /nfs/dbraw/zinc/39/74/28/1015397428.db2.gz RWLVCSKEHAPNOM-INIZCTEOSA-N 0 1 305.462 3.863 20 10 DHCDMN COc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)c(O)c1OC ZINC000891618105 1015449000 /nfs/dbraw/zinc/44/90/00/1015449000.db2.gz NJUIDWHAQTUQQJ-AWEZNQCLSA-N 0 1 319.426 3.808 20 10 DHCDMN Cc1cnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185569211 1017017545 /nfs/dbraw/zinc/01/75/45/1017017545.db2.gz SBNDCHXNHXMCJC-GFCCVEGCSA-N 0 1 302.443 3.887 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000840882497 1017305724 /nfs/dbraw/zinc/30/57/24/1017305724.db2.gz WDFOYXULVKPRJT-AAEUAGOBSA-N 0 1 323.795 3.611 20 10 DHCDMN CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000797025764 1032567244 /nfs/dbraw/zinc/56/72/44/1032567244.db2.gz ITZQHRFTCFIQOM-XIKOKIGWSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000160149195 1011901553 /nfs/dbraw/zinc/90/15/53/1011901553.db2.gz OSXDTRSWQJQKGA-HUUCEWRRSA-N 0 1 300.402 3.528 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000290354896 1012901951 /nfs/dbraw/zinc/90/19/51/1012901951.db2.gz QKBZXDOSYZHSCV-JKDFXYPNSA-N 0 1 305.805 3.818 20 10 DHCDMN Cc1csc(C[C@@H]2CC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC000897301564 1017348878 /nfs/dbraw/zinc/34/88/78/1017348878.db2.gz MQUHPWYCVDPKNN-AWEZNQCLSA-N 0 1 302.443 3.530 20 10 DHCDMN Cc1cc(CN[C@H]2CCCc3c[nH]nc32)c(C)n1-c1ccccc1 ZINC000857871998 1032696007 /nfs/dbraw/zinc/69/60/07/1032696007.db2.gz ZXYYEWKBQMAXSK-IBGZPJMESA-N 0 1 320.440 3.984 20 10 DHCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701061507 1017997204 /nfs/dbraw/zinc/99/72/04/1017997204.db2.gz YSVXDIANKAFKOW-NWDGAFQWSA-N 0 1 316.264 3.528 20 10 DHCDMN Cc1csc(C2(NCc3cc(C)cc(C)c3O)CCC2)n1 ZINC000764114870 1018160426 /nfs/dbraw/zinc/16/04/26/1018160426.db2.gz YJFIEKIKEPPASO-UHFFFAOYSA-N 0 1 302.443 3.943 20 10 DHCDMN CC[C@@H](NCc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1 ZINC000766091545 1018261722 /nfs/dbraw/zinc/26/17/22/1018261722.db2.gz BQWPHJRBVOBZOV-GOSISDBHSA-N 0 1 300.450 3.771 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000178885889 1018482763 /nfs/dbraw/zinc/48/27/63/1018482763.db2.gz ZTTOQWJNDMBUOF-GOSISDBHSA-N 0 1 315.388 3.722 20 10 DHCDMN CS[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706829918 1018761970 /nfs/dbraw/zinc/76/19/70/1018761970.db2.gz GXSYRNWGZNJNRR-UWVGGRQHSA-N 0 1 316.264 3.528 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2n1C ZINC000921753457 1018766504 /nfs/dbraw/zinc/76/65/04/1018766504.db2.gz CVTOHLLSYGWSJN-AWEZNQCLSA-N 0 1 321.424 3.749 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000706881306 1018772420 /nfs/dbraw/zinc/77/24/20/1018772420.db2.gz PEAOKEGYLAKMQX-VIFPVBQESA-N 0 1 320.177 3.680 20 10 DHCDMN CCOc1cccc(CNCc2c(F)cc(C)cc2F)c1O ZINC000922946637 1018929623 /nfs/dbraw/zinc/92/96/23/1018929623.db2.gz LXIROVJZCCWWDR-UHFFFAOYSA-N 0 1 307.340 3.667 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715702572 1018940069 /nfs/dbraw/zinc/94/00/69/1018940069.db2.gz LXEUWVSKSPYVEI-SECBINFHSA-N 0 1 302.187 3.526 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cnn(-c2ccccc2)c1 ZINC000765610040 1018998747 /nfs/dbraw/zinc/99/87/47/1018998747.db2.gz ULYBZNGGYAWPGU-OAHLLOKOSA-N 0 1 319.408 3.658 20 10 DHCDMN COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000765665691 1019031865 /nfs/dbraw/zinc/03/18/65/1019031865.db2.gz CCPLRKXXXSCCSL-OAHLLOKOSA-N 0 1 313.445 3.624 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000192735298 1032824822 /nfs/dbraw/zinc/82/48/22/1032824822.db2.gz UVPNVKZONIFJAS-AUUYWEPGSA-N 0 1 307.393 3.930 20 10 DHCDMN CO[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000728049925 1019866895 /nfs/dbraw/zinc/86/68/95/1019866895.db2.gz NRPLUIJMUPNBMF-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN CO[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000728049925 1019866913 /nfs/dbraw/zinc/86/69/13/1019866913.db2.gz NRPLUIJMUPNBMF-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN COc1cc(C)cc(CN(C)Cc2ccc(F)cc2F)c1O ZINC000887558474 1032860369 /nfs/dbraw/zinc/86/03/69/1032860369.db2.gz ZCSNOVGXKYTLPK-UHFFFAOYSA-N 0 1 307.340 3.619 20 10 DHCDMN CC(C)(C)c1nc2ccc(NC(=O)C3=CC(=O)CS3)cc2[nH]1 ZINC000732267191 1020219218 /nfs/dbraw/zinc/21/92/18/1020219218.db2.gz WXLMFHZDNRTACD-UHFFFAOYSA-N 0 1 315.398 3.880 20 10 DHCDMN C[C@H]1CSCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738276414 1020866870 /nfs/dbraw/zinc/86/68/70/1020866870.db2.gz HZNPGGFSJSAHSP-LBPRGKRZSA-N 0 1 317.454 3.955 20 10 DHCDMN C[C@H]1CSCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738276414 1020866874 /nfs/dbraw/zinc/86/68/74/1020866874.db2.gz HZNPGGFSJSAHSP-LBPRGKRZSA-N 0 1 317.454 3.955 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@]1(C)O ZINC001236793728 1021277681 /nfs/dbraw/zinc/27/76/81/1021277681.db2.gz OIMCQURBQYMEJZ-BONVTDFDSA-N 0 1 318.244 3.682 20 10 DHCDMN CC(C)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743394889 1021280337 /nfs/dbraw/zinc/28/03/37/1021280337.db2.gz DGUJDRHVFXKXRP-KRWDZBQOSA-N 0 1 302.443 3.514 20 10 DHCDMN CC(C)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743394889 1021280347 /nfs/dbraw/zinc/28/03/47/1021280347.db2.gz DGUJDRHVFXKXRP-KRWDZBQOSA-N 0 1 302.443 3.514 20 10 DHCDMN CN(C)c1ccc(CNCc2cccc(OC3CC3)c2F)cc1 ZINC000850011743 1021394044 /nfs/dbraw/zinc/39/40/44/1021394044.db2.gz TUAZCRUGRDPQPN-UHFFFAOYSA-N 0 1 314.404 3.723 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850377630 1021498473 /nfs/dbraw/zinc/49/84/73/1021498473.db2.gz HKQQAVLGARFSSM-RDJZCZTQSA-N 0 1 317.816 3.708 20 10 DHCDMN CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850394900 1021506932 /nfs/dbraw/zinc/50/69/32/1021506932.db2.gz HSBWWIWVEGKJLZ-QZTJIDSGSA-N 0 1 319.832 3.893 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000850408524 1021515069 /nfs/dbraw/zinc/51/50/69/1021515069.db2.gz ANVLPESDFAFUFP-HYVNUMGLSA-N 0 1 303.764 3.613 20 10 DHCDMN CCCc1nc(CN[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000182317025 1021599391 /nfs/dbraw/zinc/59/93/91/1021599391.db2.gz NWCDLJABLLUWOT-LLVKDONJSA-N 0 1 306.431 3.661 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cccc(F)c1 ZINC000109874558 1021799197 /nfs/dbraw/zinc/79/91/97/1021799197.db2.gz XHDCPOGVLRCCCV-UHFFFAOYSA-N 0 1 324.193 3.626 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000919949015 1021973972 /nfs/dbraw/zinc/97/39/72/1021973972.db2.gz MXZJWSIRWHTTRC-GOSISDBHSA-N 0 1 311.381 3.704 20 10 DHCDMN CCCCN(Cc1csnc1OC)Cc1ccccc1O ZINC001169754534 1022530892 /nfs/dbraw/zinc/53/08/92/1022530892.db2.gz NONXMRAGYCJKDJ-UHFFFAOYSA-N 0 1 306.431 3.660 20 10 DHCDMN C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130829415 1022647570 /nfs/dbraw/zinc/64/75/70/1022647570.db2.gz HSBDUXIIFFTLPI-APPDUMDISA-N 0 1 323.795 3.787 20 10 DHCDMN CCC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC000068973546 1022822230 /nfs/dbraw/zinc/82/22/30/1022822230.db2.gz SVWVOZREJWVHIG-UHFFFAOYSA-N 0 1 309.413 3.691 20 10 DHCDMN CCCN(Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC000068973546 1022822245 /nfs/dbraw/zinc/82/22/45/1022822245.db2.gz SVWVOZREJWVHIG-UHFFFAOYSA-N 0 1 309.413 3.691 20 10 DHCDMN Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)nn1C ZINC000767892724 1022831930 /nfs/dbraw/zinc/83/19/30/1022831930.db2.gz LKOGLCWCDATCOM-UHFFFAOYSA-N 0 1 313.445 3.769 20 10 DHCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000768171644 1022909862 /nfs/dbraw/zinc/90/98/62/1022909862.db2.gz FXMDYRJYLTUPOA-FUHWJXTLSA-N 0 1 302.462 3.676 20 10 DHCDMN COc1ccc(OCC[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000768196496 1022924577 /nfs/dbraw/zinc/92/45/77/1022924577.db2.gz GBMMPYAEHFWZJJ-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN COc1ccc(OCC[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000768196496 1022924581 /nfs/dbraw/zinc/92/45/81/1022924581.db2.gz GBMMPYAEHFWZJJ-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN CC(C)[N@H+](CCCO)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883316 1033092603 /nfs/dbraw/zinc/09/26/03/1033092603.db2.gz FEKPGXXVFYTIPK-UHFFFAOYSA-N 0 1 313.869 3.936 20 10 DHCDMN CC(C)[N@@H+](CCCO)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883316 1033092622 /nfs/dbraw/zinc/09/26/22/1033092622.db2.gz FEKPGXXVFYTIPK-UHFFFAOYSA-N 0 1 313.869 3.936 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@H]1CCCOC1)C1CCCCC1 ZINC000768532230 1022982958 /nfs/dbraw/zinc/98/29/58/1022982958.db2.gz IHRYNDXRCKCUOI-MRXNPFEDSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCOC1)C1CCCCC1 ZINC000768532230 1022982966 /nfs/dbraw/zinc/98/29/66/1022982966.db2.gz IHRYNDXRCKCUOI-MRXNPFEDSA-N 0 1 303.446 3.954 20 10 DHCDMN CC[C@H]([NH2+]CCCSC)c1cc(Br)ccc1[O-] ZINC000069432705 1023059134 /nfs/dbraw/zinc/05/91/34/1023059134.db2.gz PALHIEGDDALIRB-LBPRGKRZSA-N 0 1 318.280 3.949 20 10 DHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000769021354 1023070683 /nfs/dbraw/zinc/07/06/83/1023070683.db2.gz HFYHCXOHLJUVGO-GOSISDBHSA-N 0 1 317.816 3.791 20 10 DHCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000769021354 1023070694 /nfs/dbraw/zinc/07/06/94/1023070694.db2.gz HFYHCXOHLJUVGO-GOSISDBHSA-N 0 1 317.816 3.791 20 10 DHCDMN Cc1cccc(CNCc2nc3ccccc3n2C2CC2)c1O ZINC000184778377 1023115973 /nfs/dbraw/zinc/11/59/73/1023115973.db2.gz DKLZMDJZXRQPCQ-UHFFFAOYSA-N 0 1 307.397 3.675 20 10 DHCDMN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000769497392 1023166733 /nfs/dbraw/zinc/16/67/33/1023166733.db2.gz CRYFZDVAPLKEIU-QGZVFWFLSA-N 0 1 319.832 3.819 20 10 DHCDMN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000769497392 1023166738 /nfs/dbraw/zinc/16/67/38/1023166738.db2.gz CRYFZDVAPLKEIU-QGZVFWFLSA-N 0 1 319.832 3.819 20 10 DHCDMN CCOc1ccc(O)c(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000769507866 1023170740 /nfs/dbraw/zinc/17/07/40/1023170740.db2.gz PMGGGMKMGBTZSA-KRWDZBQOSA-N 0 1 301.361 3.877 20 10 DHCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000770677981 1023336905 /nfs/dbraw/zinc/33/69/05/1023336905.db2.gz XIUTXXINJFFHSS-UHFFFAOYSA-N 0 1 310.235 3.839 20 10 DHCDMN CCOC(CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])OCC ZINC000786969019 1023742065 /nfs/dbraw/zinc/74/20/65/1023742065.db2.gz BFNZIQVYYMMAHK-AWEZNQCLSA-N 0 1 315.841 3.876 20 10 DHCDMN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCC1 ZINC000756788045 1023843486 /nfs/dbraw/zinc/84/34/86/1023843486.db2.gz AUNKQXQOBYXATQ-OLZOCXBDSA-N 0 1 311.853 3.885 20 10 DHCDMN CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788259694 1023865587 /nfs/dbraw/zinc/86/55/87/1023865587.db2.gz OQKJXCOKLSJBIQ-DOMZBBRYSA-N 0 1 321.852 3.870 20 10 DHCDMN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788259696 1023866432 /nfs/dbraw/zinc/86/64/32/1023866432.db2.gz OQKJXCOKLSJBIQ-IUODEOHRSA-N 0 1 321.852 3.870 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000707129726 1024053556 /nfs/dbraw/zinc/05/35/56/1024053556.db2.gz RIYPILTVMMDWQI-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000707129726 1024053573 /nfs/dbraw/zinc/05/35/73/1024053573.db2.gz RIYPILTVMMDWQI-BXUZGUMPSA-N 0 1 310.235 3.919 20 10 DHCDMN O=S(=O)(CCC1CCCC1)Nc1cc(Cl)c(O)cc1F ZINC000882724036 1024109417 /nfs/dbraw/zinc/10/94/17/1024109417.db2.gz XTUCKJWCBLDEPZ-UHFFFAOYSA-N 0 1 321.801 3.507 20 10 DHCDMN COc1c2ccccc2oc1CNCc1cc(F)ccc1O ZINC000789585250 1024119934 /nfs/dbraw/zinc/11/99/34/1024119934.db2.gz ZEAPZMZTTCSUFT-UHFFFAOYSA-N 0 1 301.317 3.576 20 10 DHCDMN C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000130425793 1024162701 /nfs/dbraw/zinc/16/27/01/1024162701.db2.gz RZMBLBDFBJVUPC-YJBOKZPZSA-N 0 1 321.420 3.800 20 10 DHCDMN Nc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)CCO2 ZINC000876995946 1033201544 /nfs/dbraw/zinc/20/15/44/1033201544.db2.gz KQIAETBVLPMOOU-UHFFFAOYSA-N 0 1 323.223 3.800 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000883276041 1024347802 /nfs/dbraw/zinc/34/78/02/1024347802.db2.gz FHXCZLDOIAMAPI-CZUORRHYSA-N 0 1 323.820 3.531 20 10 DHCDMN COc1cccc([C@H](C)NCc2cc(O)ccc2Cl)c1O ZINC000883327166 1024378986 /nfs/dbraw/zinc/37/89/86/1024378986.db2.gz SGISBSKPMTUMEW-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCC3(COC3)CC2)c1[O-] ZINC000883382677 1024415698 /nfs/dbraw/zinc/41/56/98/1024415698.db2.gz LCKIGINVCJEVCQ-LBPRGKRZSA-N 0 1 309.837 3.964 20 10 DHCDMN CCOc1cccc(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883383297 1024418234 /nfs/dbraw/zinc/41/82/34/1024418234.db2.gz WMVZAGVPXNBWSC-FUHWJXTLSA-N 0 1 315.388 3.906 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271255091 1024477939 /nfs/dbraw/zinc/47/79/39/1024477939.db2.gz JKYFJPBRSGPZLY-MLGOLLRUSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271255091 1024477944 /nfs/dbraw/zinc/47/79/44/1024477944.db2.gz JKYFJPBRSGPZLY-MLGOLLRUSA-N 0 1 321.804 3.727 20 10 DHCDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436501 1024505180 /nfs/dbraw/zinc/50/51/80/1024505180.db2.gz DURNDSGGROLMPJ-UONOGXRCSA-N 0 1 316.424 3.951 20 10 DHCDMN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000271667912 1024559176 /nfs/dbraw/zinc/55/91/76/1024559176.db2.gz HKOBJGCTNSQRAZ-LLVKDONJSA-N 0 1 317.360 3.593 20 10 DHCDMN COc1cc(Cl)cc(CN[C@@H](C)c2c(C)noc2C)c1O ZINC000228674680 1024603283 /nfs/dbraw/zinc/60/32/83/1024603283.db2.gz NPEHPPGTTWWNFH-QMMMGPOBSA-N 0 1 310.781 3.510 20 10 DHCDMN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1OC ZINC000113321342 1024798166 /nfs/dbraw/zinc/79/81/66/1024798166.db2.gz FEBDVPXZFKAJPS-UHFFFAOYSA-N 0 1 321.804 3.743 20 10 DHCDMN CN(C)c1ccc(CN2CCCSCC2)c(C(F)(F)F)c1 ZINC000793061588 1024890307 /nfs/dbraw/zinc/89/03/07/1024890307.db2.gz KPKLKOMLBLNAOV-UHFFFAOYSA-N 0 1 318.408 3.710 20 10 DHCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793232250 1024949142 /nfs/dbraw/zinc/94/91/42/1024949142.db2.gz VCQLPZHHYAVSQO-IONNQARKSA-N 0 1 311.706 3.957 20 10 DHCDMN Cc1cnc([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000794257225 1025242570 /nfs/dbraw/zinc/24/25/70/1025242570.db2.gz LISAHESSNIWGAI-QGZVFWFLSA-N 0 1 324.472 3.968 20 10 DHCDMN CCc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000794275776 1025245731 /nfs/dbraw/zinc/24/57/31/1025245731.db2.gz QYFSKCLQYANIRJ-UHFFFAOYSA-N 0 1 313.445 3.776 20 10 DHCDMN FC(F)COc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000885961207 1025419990 /nfs/dbraw/zinc/41/99/90/1025419990.db2.gz VPMURNUOEHEQHN-UHFFFAOYSA-N 0 1 319.351 3.555 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccnn2C(C)C)cc1 ZINC000279942409 1025509564 /nfs/dbraw/zinc/50/95/64/1025509564.db2.gz NTNFTTHZGGZUOX-UHFFFAOYSA-N 0 1 300.450 3.600 20 10 DHCDMN CN(Cc1nc2c(s1)CCCC2)Cc1cc(F)cc(F)c1O ZINC000894020629 1025652731 /nfs/dbraw/zinc/65/27/31/1025652731.db2.gz JRAKSJVPMRFJJD-UHFFFAOYSA-N 0 1 324.396 3.638 20 10 DHCDMN CCCN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000806128301 1025791051 /nfs/dbraw/zinc/79/10/51/1025791051.db2.gz QQRQVOMBESSYDE-MRXNPFEDSA-N 0 1 310.869 3.961 20 10 DHCDMN CC[C@@H]([NH2+]CCCN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806128169 1025793307 /nfs/dbraw/zinc/79/33/07/1025793307.db2.gz GXMHVDZURZPWQZ-CYBMUJFWSA-N 0 1 305.249 3.691 20 10 DHCDMN CC(C)SCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000806167601 1025827015 /nfs/dbraw/zinc/82/70/15/1025827015.db2.gz BGZIWBYYFKWAFW-SNVBAGLBSA-N 0 1 318.280 3.947 20 10 DHCDMN C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000886774849 1025893470 /nfs/dbraw/zinc/89/34/70/1025893470.db2.gz WSIMFKUSURUFQP-GUYCJALGSA-N 0 1 307.409 3.921 20 10 DHCDMN COc1c(Cl)cccc1CNCc1ccc2c(c1)CCO2 ZINC000897483728 1025906733 /nfs/dbraw/zinc/90/67/33/1025906733.db2.gz USHHMGZPGKCPQX-UHFFFAOYSA-N 0 1 303.789 3.573 20 10 DHCDMN CCCCO[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840079 1026124550 /nfs/dbraw/zinc/12/45/50/1026124550.db2.gz XGFAPFUHPFKGPC-SECBINFHSA-N 0 1 320.216 3.520 20 10 DHCDMN Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000807835549 1026129029 /nfs/dbraw/zinc/12/90/29/1026129029.db2.gz GWMCOMHAGYKKSU-UHFFFAOYSA-N 0 1 300.141 3.530 20 10 DHCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093839051 1026128944 /nfs/dbraw/zinc/12/89/44/1026128944.db2.gz SZXBQVUDODGOOJ-JTQLQIEISA-N 0 1 304.217 3.557 20 10 DHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)co1 ZINC000807836763 1026129302 /nfs/dbraw/zinc/12/93/02/1026129302.db2.gz NXGZCBOVGAIZRG-UHFFFAOYSA-N 0 1 300.141 3.530 20 10 DHCDMN CC(C)C(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838109 1026131165 /nfs/dbraw/zinc/13/11/65/1026131165.db2.gz KPOBOJZVUXWUTM-UHFFFAOYSA-N 0 1 304.217 3.997 20 10 DHCDMN Cc1ccccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839760 1026132043 /nfs/dbraw/zinc/13/20/43/1026132043.db2.gz KXYBFDFXZZYALQ-UHFFFAOYSA-N 0 1 310.180 3.937 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncncc1Cl ZINC000808088678 1026202208 /nfs/dbraw/zinc/20/22/08/1026202208.db2.gz ADAMXTONIZVADL-UHFFFAOYSA-N 0 1 304.564 3.755 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2cn3ccsc3n2)c1O ZINC000808682922 1026347400 /nfs/dbraw/zinc/34/74/00/1026347400.db2.gz ZGPHAPPXHGNWIW-SNVBAGLBSA-N 0 1 321.833 3.914 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000808716463 1026366082 /nfs/dbraw/zinc/36/60/82/1026366082.db2.gz OACOIFAGDGIDDL-ZDUSSCGKSA-N 0 1 323.864 3.947 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000808700007 1026375825 /nfs/dbraw/zinc/37/58/25/1026375825.db2.gz HFTZASFNDNIXRZ-ZDUSSCGKSA-N 0 1 311.853 3.947 20 10 DHCDMN CCN(CC)c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693383 1026585883 /nfs/dbraw/zinc/58/58/83/1026585883.db2.gz UWRLTZLXEIBUCL-LJQANCHMSA-N 0 1 312.461 3.983 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2cccnc2)c1O ZINC000809728697 1026595237 /nfs/dbraw/zinc/59/52/37/1026595237.db2.gz FSHGDEAMAVRVGU-HNNXBMFYSA-N 0 1 318.804 3.786 20 10 DHCDMN Cc1cc(F)ccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713456 1026601247 /nfs/dbraw/zinc/60/12/47/1026601247.db2.gz QUBNPNFZAWYBPN-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN Cc1ccc(F)c(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809713170 1026602376 /nfs/dbraw/zinc/60/23/76/1026602376.db2.gz KNZBNMHQZWGPHP-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000809764595 1026620087 /nfs/dbraw/zinc/62/00/87/1026620087.db2.gz XISGWRKDZQZPOP-UHFFFAOYSA-N 0 1 306.768 3.744 20 10 DHCDMN CN(C)c1ccccc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809787830 1026626110 /nfs/dbraw/zinc/62/61/10/1026626110.db2.gz KGPXVJTWYWUXTC-UHFFFAOYSA-N 0 1 322.811 3.883 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(CNc2cc(C3CC3)cc[nH+]2)c1[O-] ZINC000810175033 1026699892 /nfs/dbraw/zinc/69/98/92/1026699892.db2.gz DBJOTUFVRHJIPM-UHFFFAOYSA-N 0 1 319.748 3.838 20 10 DHCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218079 1026708659 /nfs/dbraw/zinc/70/86/59/1026708659.db2.gz OLPJVOGDLDJRTC-XEGUGMAKSA-N 0 1 319.367 3.859 20 10 DHCDMN CCC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217377 1026709802 /nfs/dbraw/zinc/70/98/02/1026709802.db2.gz CFQDYJBCXCMCNU-DGCLKSJQSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223058 1026711227 /nfs/dbraw/zinc/71/12/27/1026711227.db2.gz HCZFDSJIDVBGOL-MFKMUULPSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220228 1026711420 /nfs/dbraw/zinc/71/14/20/1026711420.db2.gz SEAPUSXOKLUGNM-SUNKGSAMSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226387 1026713151 /nfs/dbraw/zinc/71/31/51/1026713151.db2.gz FEODHXXCYZHEIZ-PWSUYJOCSA-N 0 1 305.365 3.957 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227789 1026713792 /nfs/dbraw/zinc/71/37/92/1026713792.db2.gz JMZQYWVRYJZMMZ-JSGCOSHPSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207666 1026716940 /nfs/dbraw/zinc/71/69/40/1026716940.db2.gz MTQURUBHPCJUAQ-CYBMUJFWSA-N 0 1 318.383 3.792 20 10 DHCDMN C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237787 1026726248 /nfs/dbraw/zinc/72/62/48/1026726248.db2.gz WFQLTLKXOSXLLB-MOBDVTQCSA-N 0 1 317.351 3.779 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000811513696 1027029373 /nfs/dbraw/zinc/02/93/73/1027029373.db2.gz MKTCJFHZNUJYSJ-OAHLLOKOSA-N 0 1 322.792 3.718 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C1CC1 ZINC000811513917 1027029454 /nfs/dbraw/zinc/02/94/54/1027029454.db2.gz VUOOTQRCEQENNE-AWEZNQCLSA-N 0 1 310.235 3.775 20 10 DHCDMN COC1CCN(c2ccc(CN3CCC[C@](C)(F)C3)cc2)CC1 ZINC000295301654 1027188602 /nfs/dbraw/zinc/18/86/02/1027188602.db2.gz FHYBRKMPXYLPAU-IBGZPJMESA-N 0 1 320.452 3.626 20 10 DHCDMN CC[C@@](C)(NCc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894269430 1027247067 /nfs/dbraw/zinc/24/70/67/1027247067.db2.gz NIEDRKNOMMRYIC-QGZVFWFLSA-N 0 1 320.458 3.889 20 10 DHCDMN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(Cl)c1[O-] ZINC000296333320 1027606313 /nfs/dbraw/zinc/60/63/13/1027606313.db2.gz HJRXEUFOLAIRPL-XQERAMJGSA-N 0 1 308.853 3.712 20 10 DHCDMN Cc1ccoc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000813791031 1027713121 /nfs/dbraw/zinc/71/31/21/1027713121.db2.gz ORSCEGTYLLJRCP-UHFFFAOYSA-N 0 1 312.335 3.963 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366544075 1028096275 /nfs/dbraw/zinc/09/62/75/1028096275.db2.gz KNYCBRCAZHLMCY-SCLBCKFNSA-N 0 1 312.413 3.940 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000367308749 1028162100 /nfs/dbraw/zinc/16/21/00/1028162100.db2.gz QXVCVRHUSAFPKB-DODZYUBVSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000367308749 1028162103 /nfs/dbraw/zinc/16/21/03/1028162103.db2.gz QXVCVRHUSAFPKB-DODZYUBVSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000367308749 1028162111 /nfs/dbraw/zinc/16/21/11/1028162111.db2.gz QXVCVRHUSAFPKB-DODZYUBVSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376824 1028174384 /nfs/dbraw/zinc/17/43/84/1028174384.db2.gz DEERMQLXGBADIW-APWZRJJASA-N 0 1 319.445 3.503 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000779154978 1028452540 /nfs/dbraw/zinc/45/25/40/1028452540.db2.gz XTOMSLCVOLIROJ-HZMBPMFUSA-N 0 1 318.244 3.682 20 10 DHCDMN COc1cccc(Cl)c1CNCc1cc(Cl)ccc1O ZINC000188279937 1028502513 /nfs/dbraw/zinc/50/25/13/1028502513.db2.gz MLWDYBJHAQCORT-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000188279937 1028502524 /nfs/dbraw/zinc/50/25/24/1028502524.db2.gz MLWDYBJHAQCORT-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1[O-] ZINC000815643100 1028589619 /nfs/dbraw/zinc/58/96/19/1028589619.db2.gz UBRIETQJVUWASB-HZMBPMFUSA-N 0 1 306.793 3.948 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518971 1028867222 /nfs/dbraw/zinc/86/72/22/1028867222.db2.gz XOUAPYURVFTGEM-HOCLYGCPSA-N 0 1 303.427 3.978 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816481219 1028888775 /nfs/dbraw/zinc/88/87/75/1028888775.db2.gz MZCQRCCFHNQHON-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN COc1cc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])ccc1O ZINC000816484160 1028893367 /nfs/dbraw/zinc/89/33/67/1028893367.db2.gz RCAPNEURFUPWIC-UHFFFAOYSA-N 0 1 323.392 3.892 20 10 DHCDMN COc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])ccc1O ZINC000816484160 1028893383 /nfs/dbraw/zinc/89/33/83/1028893383.db2.gz RCAPNEURFUPWIC-UHFFFAOYSA-N 0 1 323.392 3.892 20 10 DHCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816482306 1028894079 /nfs/dbraw/zinc/89/40/79/1028894079.db2.gz BBCBAHBSECCGNF-OAHLLOKOSA-N 0 1 308.784 3.860 20 10 DHCDMN CCOc1ccc(O)c(CNCc2ncoc2-c2ccccc2)c1 ZINC000372789501 1028900393 /nfs/dbraw/zinc/90/03/93/1028900393.db2.gz VEHLEEDMYHQHHF-UHFFFAOYSA-N 0 1 324.380 3.736 20 10 DHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816520283 1028904617 /nfs/dbraw/zinc/90/46/17/1028904617.db2.gz LFHVTCZSOSIBRZ-UHFFFAOYSA-N 0 1 317.191 3.809 20 10 DHCDMN [O-]c1c(C[NH+]2CCC(OCC3CC3)CC2)ccc2ccccc21 ZINC000816515924 1028917956 /nfs/dbraw/zinc/91/79/56/1028917956.db2.gz PIRDJBAFPWDNKZ-UHFFFAOYSA-N 0 1 311.425 3.936 20 10 DHCDMN COCc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816531513 1028922048 /nfs/dbraw/zinc/92/20/48/1028922048.db2.gz UKJSJHHUJSWXKJ-UHFFFAOYSA-N 0 1 307.393 3.982 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816520545 1028933108 /nfs/dbraw/zinc/93/31/08/1028933108.db2.gz RRIGULSSEFEWLS-HNNXBMFYSA-N 0 1 323.799 3.564 20 10 DHCDMN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816588081 1028939509 /nfs/dbraw/zinc/93/95/09/1028939509.db2.gz FNJMSCDHRUUXIY-IBGZPJMESA-N 0 1 321.420 3.547 20 10 DHCDMN CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558488 1028941143 /nfs/dbraw/zinc/94/11/43/1028941143.db2.gz AQMXTFZSMJKMEK-UHFFFAOYSA-N 0 1 323.440 3.694 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](CCO)c2ccccc2)ccc2ccccc21 ZINC000816552721 1028941680 /nfs/dbraw/zinc/94/16/80/1028941680.db2.gz UMGFJTAOIAUCKW-SFHVURJKSA-N 0 1 321.420 3.801 20 10 DHCDMN CN(C)c1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816563114 1028946290 /nfs/dbraw/zinc/94/62/90/1028946290.db2.gz KVONOBAWIHJZOD-UHFFFAOYSA-N 0 1 306.409 3.901 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](O)CCc2ccccc2)ccc2ccccc21 ZINC000816569043 1028948546 /nfs/dbraw/zinc/94/85/46/1028948546.db2.gz XGOQNYUWTWLTSX-LJQANCHMSA-N 0 1 321.420 3.629 20 10 DHCDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCO[C@@H]1C1CC1 ZINC000816570805 1028950457 /nfs/dbraw/zinc/95/04/57/1028950457.db2.gz HUOIAOLMEHJSKF-WOJBJXKFSA-N 0 1 311.425 3.840 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666367 1028986293 /nfs/dbraw/zinc/98/62/93/1028986293.db2.gz LNNPJZXRPKQCFA-UXHICEINSA-N 0 1 309.409 3.689 20 10 DHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000373469444 1029053344 /nfs/dbraw/zinc/05/33/44/1029053344.db2.gz ZWDKUBCJXLPFPM-HNNXBMFYSA-N 0 1 301.789 3.576 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958638 1029297553 /nfs/dbraw/zinc/29/75/53/1029297553.db2.gz KZDPVZQWLNRLMD-CHWSQXEVSA-N 0 1 305.249 3.723 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984371 1029320275 /nfs/dbraw/zinc/32/02/75/1029320275.db2.gz RKAVFDSGEQMVLF-GWCFXTLKSA-N 0 1 317.260 3.882 20 10 DHCDMN CCOc1cccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231489 1029359515 /nfs/dbraw/zinc/35/95/15/1029359515.db2.gz XLBMUAQSVUWFOL-FUHWJXTLSA-N 0 1 301.361 3.518 20 10 DHCDMN CCOc1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c(O)c1 ZINC000818230674 1029360012 /nfs/dbraw/zinc/36/00/12/1029360012.db2.gz RIDAZXUTLCRNCA-QZTJIDSGSA-N 0 1 301.361 3.518 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)c(Cl)c1[O-] ZINC000818616702 1029420927 /nfs/dbraw/zinc/42/09/27/1029420927.db2.gz ZTXZMXYWKMMIPC-GGZOMVNGSA-N 0 1 303.233 3.620 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cc(OC)ccn2)cc1 ZINC000924711120 1030168016 /nfs/dbraw/zinc/16/80/16/1030168016.db2.gz QOWPVJZQKMUDPG-OAHLLOKOSA-N 0 1 313.445 3.787 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(Cl)cc1[O-] ZINC000841757965 1030195122 /nfs/dbraw/zinc/19/51/22/1030195122.db2.gz JKFUSURZRGJAHI-KOLCDFICSA-N 0 1 303.880 3.545 20 10 DHCDMN C[C@@H](NCC(C)(C)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866408159 1030286114 /nfs/dbraw/zinc/28/61/14/1030286114.db2.gz HMMBFIADCBSWMY-GFCCVEGCSA-N 0 1 314.832 3.575 20 10 DHCDMN COc1ccc(O)c(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823871973 1030418893 /nfs/dbraw/zinc/41/88/93/1030418893.db2.gz SZWYWIYIUOASEP-ZDUSSCGKSA-N 0 1 323.314 3.595 20 10 DHCDMN COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)c(C)cc1O ZINC000824580901 1030595525 /nfs/dbraw/zinc/59/55/25/1030595525.db2.gz LDURPFNSPHAOGJ-UHFFFAOYSA-N 0 1 309.793 3.596 20 10 DHCDMN COCCN(Cc1ccco1)Cc1cc(Cl)c(C)cc1O ZINC000824580901 1030595536 /nfs/dbraw/zinc/59/55/36/1030595536.db2.gz LDURPFNSPHAOGJ-UHFFFAOYSA-N 0 1 309.793 3.596 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000824779929 1030636586 /nfs/dbraw/zinc/63/65/86/1030636586.db2.gz YWIKOOFYHFYNHV-GFCCVEGCSA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000824779929 1030636598 /nfs/dbraw/zinc/63/65/98/1030636598.db2.gz YWIKOOFYHFYNHV-GFCCVEGCSA-N 0 1 322.202 3.737 20 10 DHCDMN CCc1nc(C)c(CN[C@@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000291912127 1030695128 /nfs/dbraw/zinc/69/51/28/1030695128.db2.gz MYUGXKHSPFZCGQ-ZDUSSCGKSA-N 0 1 301.434 3.852 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1OC ZINC000825050198 1030709445 /nfs/dbraw/zinc/70/94/45/1030709445.db2.gz OVELCRUVFYXHIL-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN CCCc1ncc(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000825078924 1030720026 /nfs/dbraw/zinc/72/00/26/1030720026.db2.gz FVLCCBCIQFELTQ-UHFFFAOYSA-N 0 1 301.434 3.763 20 10 DHCDMN Cc1nc(C)c(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825258683 1030762851 /nfs/dbraw/zinc/76/28/51/1030762851.db2.gz DKIMWSXVBHROEU-UHFFFAOYSA-N 0 1 310.850 3.760 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278635 1030765175 /nfs/dbraw/zinc/76/51/75/1030765175.db2.gz MYGXIQRTNNMWAX-GTNSWQLSSA-N 0 1 323.795 3.705 20 10 DHCDMN CCc1ccc([C@H](COC)NCc2cc(Cl)c(C)cc2O)o1 ZINC000825287479 1030767577 /nfs/dbraw/zinc/76/75/77/1030767577.db2.gz KSLZVFZLPPUSJE-HNNXBMFYSA-N 0 1 323.820 3.987 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCSCC(F)(F)F)cc1Cl ZINC000825385201 1030796025 /nfs/dbraw/zinc/79/60/25/1030796025.db2.gz VFDLLDUQZBUDQT-UHFFFAOYSA-N 0 1 313.772 3.739 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc(Cl)ccc1[O-] ZINC000927090316 1031081979 /nfs/dbraw/zinc/08/19/79/1031081979.db2.gz KWDFJEABOYJURB-NSHDSACASA-N 0 1 303.789 3.831 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(Cl)ccc1[O-] ZINC000927099987 1031087686 /nfs/dbraw/zinc/08/76/86/1031087686.db2.gz DTXWRWSVJBQTTI-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@]1(F)CCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144299122 1031440358 /nfs/dbraw/zinc/44/03/58/1031440358.db2.gz PVDPUEACFYLCDO-CYBMUJFWSA-N 0 1 320.177 3.618 20 10 DHCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])C[C@@H]1CC1(C)C ZINC001144306636 1031454845 /nfs/dbraw/zinc/45/48/45/1031454845.db2.gz KHIMKVUEVVZKRD-JTQLQIEISA-N 0 1 316.214 3.772 20 10 DHCDMN CCCOc1ccc(CNCc2c(C3CC3)cnn2C)cc1C ZINC000873138454 1031725942 /nfs/dbraw/zinc/72/59/42/1031725942.db2.gz RWBZSJNDMDUFGW-UHFFFAOYSA-N 0 1 313.445 3.685 20 10 DHCDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]1C2(F)F ZINC000294085477 1031790030 /nfs/dbraw/zinc/79/00/30/1031790030.db2.gz ZDYDFRMQIDTAQY-QWHCGFSZSA-N 0 1 305.727 3.662 20 10 DHCDMN COc1cccc([C@H](C)NCc2ccn(C3CCCC3)n2)c1O ZINC000846156989 1031889535 /nfs/dbraw/zinc/88/95/35/1031889535.db2.gz QWOBJRVLXPUFRQ-ZDUSSCGKSA-N 0 1 315.417 3.563 20 10 DHCDMN COc1cccc([C@@H](C)NCc2c(F)cc(F)cc2F)c1O ZINC000846172069 1031896709 /nfs/dbraw/zinc/89/67/09/1031896709.db2.gz WISNZXZEJKRAQG-SECBINFHSA-N 0 1 311.303 3.669 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2cccc(OC)c2O)o1 ZINC000846143060 1031903210 /nfs/dbraw/zinc/90/32/10/1031903210.db2.gz AIJISMMVESDDLZ-DOMZBBRYSA-N 0 1 319.401 3.595 20 10 DHCDMN COCCCCc1cccnc1NCc1ccc(F)c(F)c1O ZINC000877543350 1033347276 /nfs/dbraw/zinc/34/72/76/1033347276.db2.gz FGASCJAYRPXCTH-UHFFFAOYSA-N 0 1 322.355 3.647 20 10 DHCDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877823521 1033473881 /nfs/dbraw/zinc/47/38/81/1033473881.db2.gz MCKZFXXIVOMUBJ-RNCFNFMXSA-N 0 1 323.742 3.587 20 10 DHCDMN CCCN(CC(=O)c1ccccc1F)Cc1ccccc1O ZINC000878151389 1033598171 /nfs/dbraw/zinc/59/81/71/1033598171.db2.gz QAWAXBUNERCPNF-UHFFFAOYSA-N 0 1 301.361 3.626 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)co2)c1 ZINC000878360560 1033673191 /nfs/dbraw/zinc/67/31/91/1033673191.db2.gz OOUSLERMVOMSME-SECBINFHSA-N 0 1 315.291 3.863 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000826062919 1033780963 /nfs/dbraw/zinc/78/09/63/1033780963.db2.gz YMSRSYBRMBOMQV-SUMWQHHRSA-N 0 1 311.853 3.895 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482564 1033867134 /nfs/dbraw/zinc/86/71/34/1033867134.db2.gz JVOGUKHSVKBPFG-SFHVURJKSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482564 1033867140 /nfs/dbraw/zinc/86/71/40/1033867140.db2.gz JVOGUKHSVKBPFG-SFHVURJKSA-N 0 1 317.816 3.529 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1Cl ZINC000826122058 1034119622 /nfs/dbraw/zinc/11/96/22/1034119622.db2.gz XJHPNZFQCOMCOT-QGZVFWFLSA-N 0 1 323.864 3.991 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1Cl ZINC000826122058 1034119630 /nfs/dbraw/zinc/11/96/30/1034119630.db2.gz XJHPNZFQCOMCOT-QGZVFWFLSA-N 0 1 323.864 3.991 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120465 1034119678 /nfs/dbraw/zinc/11/96/78/1034119678.db2.gz DQFDUNOOXGACKG-DOTOQJQBSA-N 0 1 317.816 3.662 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1Cl ZINC000826120465 1034119687 /nfs/dbraw/zinc/11/96/87/1034119687.db2.gz DQFDUNOOXGACKG-DOTOQJQBSA-N 0 1 317.816 3.662 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC23CCSCC3)cc1Cl ZINC000826130576 1034153908 /nfs/dbraw/zinc/15/39/08/1034153908.db2.gz JSJBUCDIELKBDP-CYBMUJFWSA-N 0 1 311.878 3.977 20 10 DHCDMN CC(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1C ZINC000864017960 1034255298 /nfs/dbraw/zinc/25/52/98/1034255298.db2.gz IJVUCJHBECOTNP-UHFFFAOYSA-N 0 1 306.312 3.549 20 10 DHCDMN CCn1ncc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000864027178 1034265493 /nfs/dbraw/zinc/26/54/93/1034265493.db2.gz VDVNOYXWVTZGDH-UHFFFAOYSA-N 0 1 303.312 3.652 20 10 DHCDMN COc1cc(NCc2ccc(F)c(F)c2O)cc(OC)c1C ZINC000864038060 1034269159 /nfs/dbraw/zinc/26/91/59/1034269159.db2.gz HLQJZFBRFPDMIL-UHFFFAOYSA-N 0 1 309.312 3.608 20 10 DHCDMN COc1cc(NCc2ccc(F)c(F)c2O)c(C)c(OC)c1 ZINC000864036696 1034270346 /nfs/dbraw/zinc/27/03/46/1034270346.db2.gz XKJRENSSQIBSJB-UHFFFAOYSA-N 0 1 309.312 3.608 20 10 DHCDMN C[C@@H](c1ccccc1)N(Cc1ccnn1C)Cc1ccccc1O ZINC000179642117 1034321857 /nfs/dbraw/zinc/32/18/57/1034321857.db2.gz PNKCMGCTWWRZAQ-INIZCTEOSA-N 0 1 321.424 3.889 20 10 DHCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000183712377 1034414652 /nfs/dbraw/zinc/41/46/52/1034414652.db2.gz VWIGKWBHFZZDGE-JTQLQIEISA-N 0 1 321.764 3.542 20 10 DHCDMN COc1cc(Cl)cc(CN(C)[C@H](C)c2cccnc2)c1O ZINC000184745010 1034499266 /nfs/dbraw/zinc/49/92/66/1034499266.db2.gz MPNCOCLQVYEHEL-LLVKDONJSA-N 0 1 306.793 3.642 20 10 DHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000184846003 1034505260 /nfs/dbraw/zinc/50/52/60/1034505260.db2.gz KLWOQJWIARPEAX-GHMZBOCLSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(Br)ccc1[O-] ZINC000184882912 1034506803 /nfs/dbraw/zinc/50/68/03/1034506803.db2.gz ZLIJPWWNMNLUGQ-WDEREUQCSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185121519 1034530324 /nfs/dbraw/zinc/53/03/24/1034530324.db2.gz ZFAFLCFAJKBMOI-SNVBAGLBSA-N 0 1 309.768 3.528 20 10 DHCDMN C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185475319 1034550403 /nfs/dbraw/zinc/55/04/03/1034550403.db2.gz SUHKZQUPSSCLES-DMZKTXOQSA-N 0 1 319.470 3.743 20 10 DHCDMN COc1ccsc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000186137630 1034602158 /nfs/dbraw/zinc/60/21/58/1034602158.db2.gz IKFDPQRFGYUQEW-NSHDSACASA-N 0 1 308.422 3.813 20 10 DHCDMN CN(C)c1ccc(CNCc2ccc(C(F)F)nc2)cc1F ZINC000865437427 1034646092 /nfs/dbraw/zinc/64/60/92/1034646092.db2.gz LMFMZKMFJPLMKU-UHFFFAOYSA-N 0 1 309.335 3.514 20 10 DHCDMN C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187768593 1034731100 /nfs/dbraw/zinc/73/11/00/1034731100.db2.gz OEYXPBXTCKUAIC-NSHDSACASA-N 0 1 312.404 3.584 20 10 DHCDMN Nc1ccc(Cc2ccc(Nc3ccc4nn[nH]c4c3)cc2)cc1 ZINC001176003856 1035182599 /nfs/dbraw/zinc/18/25/99/1035182599.db2.gz KLCWQSQSASNJPB-UHFFFAOYSA-N 0 1 315.380 3.875 20 10 DHCDMN Nc1ccc(Cc2ccc(Nc3ccc4n[nH]nc4c3)cc2)cc1 ZINC001176003856 1035182603 /nfs/dbraw/zinc/18/26/03/1035182603.db2.gz KLCWQSQSASNJPB-UHFFFAOYSA-N 0 1 315.380 3.875 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001180042934 1035571279 /nfs/dbraw/zinc/57/12/79/1035571279.db2.gz MLJGNIROTSASLE-ZENOOKHLSA-N 0 1 324.415 3.508 20 10 DHCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@H]1CC=CCC1 ZINC001180311263 1035641666 /nfs/dbraw/zinc/64/16/66/1035641666.db2.gz ZSCHWLOLSFNHAL-LBPRGKRZSA-N 0 1 310.235 3.943 20 10 DHCDMN Cc1cc2ccc(NC(=O)c3cc(O)c(O)c(Cl)c3)cc2[nH]1 ZINC001193626163 1035679530 /nfs/dbraw/zinc/67/95/30/1035679530.db2.gz WIXLLPOOTGVDBO-UHFFFAOYSA-N 0 1 316.744 3.793 20 10 DHCDMN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1[O-] ZINC000775644305 1036164567 /nfs/dbraw/zinc/16/45/67/1036164567.db2.gz GTEFBEPKCBEDNQ-UHFFFAOYSA-N 0 1 319.788 3.796 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2cc(Cl)cc(F)c2O)no1 ZINC000775648814 1036205483 /nfs/dbraw/zinc/20/54/83/1036205483.db2.gz FSNJBADISMPKFD-CQSZACIVSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000775650479 1036229951 /nfs/dbraw/zinc/22/99/51/1036229951.db2.gz DQAYOCDBGUCNLA-HNNXBMFYSA-N 0 1 306.768 3.917 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775660184 1036267942 /nfs/dbraw/zinc/26/79/42/1036267942.db2.gz CQBBXUODTXSFAS-UHFFFAOYSA-N 0 1 308.784 3.644 20 10 DHCDMN COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000775663787 1036288293 /nfs/dbraw/zinc/28/82/93/1036288293.db2.gz OZPOARLLSIKSDD-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000775663787 1036288311 /nfs/dbraw/zinc/28/83/11/1036288311.db2.gz OZPOARLLSIKSDD-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN COc1ccc(O)c(CN2CCc3cccc(F)c3[C@H]2C)c1 ZINC000775701492 1036472595 /nfs/dbraw/zinc/47/25/95/1036472595.db2.gz YYMFRDFBHNZQQQ-GFCCVEGCSA-N 0 1 301.361 3.659 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(CCF)CC1 ZINC001183249343 1036556640 /nfs/dbraw/zinc/55/66/40/1036556640.db2.gz YNPHGOLFHZGUBI-UHFFFAOYSA-N 0 1 316.214 3.726 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCc2c(F)ccc(F)c2C1 ZINC000775728155 1036575937 /nfs/dbraw/zinc/57/59/37/1036575937.db2.gz PZQVTIINEVVZNH-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN CCCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC001184099179 1036743319 /nfs/dbraw/zinc/74/33/19/1036743319.db2.gz PSLLKNPMOFBWPF-UHFFFAOYSA-N 0 1 319.332 3.586 20 10 DHCDMN CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(O)c(O)c1 ZINC001203878559 1036782217 /nfs/dbraw/zinc/78/22/17/1036782217.db2.gz CFDNWWMXERWTCD-UHFFFAOYSA-N 0 1 311.303 3.749 20 10 DHCDMN CCc1cccc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)c1O ZINC001184238468 1036785191 /nfs/dbraw/zinc/78/51/91/1036785191.db2.gz CPZPKTFAHLSPSY-UHFFFAOYSA-N 0 1 321.424 3.977 20 10 DHCDMN COc1ncccc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000193527865 1036894363 /nfs/dbraw/zinc/89/43/63/1036894363.db2.gz MPMNWFQQEZNPJY-CYBMUJFWSA-N 0 1 308.381 3.800 20 10 DHCDMN COc1cc(Cl)cc(CNCc2ccc(Cl)o2)c1O ZINC000698132898 1037584123 /nfs/dbraw/zinc/58/41/23/1037584123.db2.gz SSWCLSGJNSCBGU-UHFFFAOYSA-N 0 1 302.157 3.590 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001203658387 1037617382 /nfs/dbraw/zinc/61/73/82/1037617382.db2.gz SYEOZRHGGVURBK-CYBMUJFWSA-N 0 1 302.805 3.820 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001203658387 1037617387 /nfs/dbraw/zinc/61/73/87/1037617387.db2.gz SYEOZRHGGVURBK-CYBMUJFWSA-N 0 1 302.805 3.820 20 10 DHCDMN Cc1cnn(-c2ccncc2NCc2cc(C)c(C)cc2O)c1 ZINC000776253266 1038074576 /nfs/dbraw/zinc/07/45/76/1038074576.db2.gz LSCSOEOIBWOIPP-UHFFFAOYSA-N 0 1 308.385 3.510 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000164488684 1038202930 /nfs/dbraw/zinc/20/29/30/1038202930.db2.gz LMCVEGBZAJMZBO-INIZCTEOSA-N 0 1 303.427 3.644 20 10 DHCDMN CCC(CC)n1ccc(CN[C@H](C)c2cc(OC)ccc2O)n1 ZINC000775370333 1038286368 /nfs/dbraw/zinc/28/63/68/1038286368.db2.gz FEMSKSGSHLTRDD-CYBMUJFWSA-N 0 1 317.433 3.809 20 10 DHCDMN CC[C@@H](NCc1csc([C@H](C)OC)n1)c1ccccc1O ZINC000775414917 1038394516 /nfs/dbraw/zinc/39/45/16/1038394516.db2.gz LKSDIQWOHRJVFR-SMDDNHRTSA-N 0 1 306.431 3.797 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510058 1038593415 /nfs/dbraw/zinc/59/34/15/1038593415.db2.gz UTZRCFOAFWITJE-UKRRQHHQSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503671 1038597982 /nfs/dbraw/zinc/59/79/82/1038597982.db2.gz LZIQBYXFPHVROO-HOCLYGCPSA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775523007 1038630849 /nfs/dbraw/zinc/63/08/49/1038630849.db2.gz DBQRYBAHAHSNBL-HOTGVXAUSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000775523737 1038634737 /nfs/dbraw/zinc/63/47/37/1038634737.db2.gz NACRORANAZKITM-OAHLLOKOSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775524378 1038641482 /nfs/dbraw/zinc/64/14/82/1038641482.db2.gz OPXLMTOGXPHARU-CVEARBPZSA-N 0 1 323.795 3.959 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000230707412 1039959373 /nfs/dbraw/zinc/95/93/73/1039959373.db2.gz MGYHQQGCIYHISN-UHFFFAOYSA-N 0 1 310.235 3.681 20 10 DHCDMN COc1ccc(N(C)Cc2cnc(-c3ccccc3)[nH]2)cc1OC ZINC000761220714 1040761704 /nfs/dbraw/zinc/76/17/04/1040761704.db2.gz JRPOSVSERKXESP-UHFFFAOYSA-N 0 1 323.396 3.730 20 10 DHCDMN COc1ccc(CNCc2nc3ccccc3n2C2CC2)cc1C ZINC000761226402 1040824882 /nfs/dbraw/zinc/82/48/82/1040824882.db2.gz QXBVHSCRWSSIPT-UHFFFAOYSA-N 0 1 321.424 3.978 20 10 DHCDMN COc1cc(Cl)cc(CN[C@H](C)c2nc(C)cs2)c1O ZINC000228673042 1041051098 /nfs/dbraw/zinc/05/10/98/1041051098.db2.gz JDKMXOBPCJJSIQ-SECBINFHSA-N 0 1 312.822 3.670 20 10 DHCDMN CC[C@@H](c1ccncc1)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000092223780 193176209 /nfs/dbraw/zinc/17/62/09/193176209.db2.gz PYFDGRWIGYGCLD-KRWDZBQOSA-N 0 1 316.376 3.712 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H]2CCc3cccc(O)c32)o1 ZINC000297861673 132037740 /nfs/dbraw/zinc/03/77/40/132037740.db2.gz UEHBYKVZNVMTDU-GJZGRUSLSA-N 0 1 301.386 3.512 20 10 DHCDMN Cc1cccnc1C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000368262301 336841393 /nfs/dbraw/zinc/84/13/93/336841393.db2.gz WXFWXBFEGAPRAV-UHFFFAOYSA-N 0 1 302.805 3.570 20 10 DHCDMN CC[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336763 336928537 /nfs/dbraw/zinc/92/85/37/336928537.db2.gz JNXBPSBBSNEQSF-UONOGXRCSA-N 0 1 305.324 3.845 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000376952908 337043981 /nfs/dbraw/zinc/04/39/81/337043981.db2.gz BVKDNUXEFZQFQA-PRXAMGSTSA-N 0 1 317.816 3.917 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377245377 337049334 /nfs/dbraw/zinc/04/93/34/337049334.db2.gz ZMHAMDPZCMVLEA-GHMZBOCLSA-N 0 1 316.228 3.557 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2COc3cccc(Cl)c32)c1 ZINC000377883746 337063251 /nfs/dbraw/zinc/06/32/51/337063251.db2.gz KVWYFUPPTQLBCI-IINYFYTJSA-N 0 1 319.788 3.839 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c(O)c1 ZINC000185684565 337250117 /nfs/dbraw/zinc/25/01/17/337250117.db2.gz JMLZGGXNUALAHV-ZFWWWQNUSA-N 0 1 314.433 3.601 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCC(F)(F)F ZINC000231672476 337277889 /nfs/dbraw/zinc/27/78/89/337277889.db2.gz VULGZXBXIZXZCI-UHFFFAOYSA-N 0 1 312.129 3.587 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000248517768 337564264 /nfs/dbraw/zinc/56/42/64/337564264.db2.gz PLYMYSPTHOBIDY-OUENDJJVSA-N 0 1 305.393 3.530 20 10 DHCDMN COc1ccc(F)cc1CNCc1c(C)c2ccccc2n1C ZINC000462904000 339097016 /nfs/dbraw/zinc/09/70/16/339097016.db2.gz FXDGJHIITZZIFA-UHFFFAOYSA-N 0 1 312.388 3.924 20 10 DHCDMN CCOc1ccc(O)c(CNC2(c3ccccc3F)CC2)c1 ZINC000130522692 521151101 /nfs/dbraw/zinc/15/11/01/521151101.db2.gz HPNQCJZOFCQCJN-UHFFFAOYSA-N 0 1 301.361 3.709 20 10 DHCDMN Cc1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c(C)o1 ZINC000182815761 525419992 /nfs/dbraw/zinc/41/99/92/525419992.db2.gz TUFCEYRLVAUMTO-UHFFFAOYSA-N 0 1 323.414 3.835 20 10 DHCDMN Cc1ccc([C@@H]2COCCN2Cc2cccc(Cl)c2O)o1 ZINC000180290285 525841130 /nfs/dbraw/zinc/84/11/30/525841130.db2.gz DCHOHMHRIBGSER-AWEZNQCLSA-N 0 1 307.777 3.521 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365664656 526347622 /nfs/dbraw/zinc/34/76/22/526347622.db2.gz WJJFBCCQXBZUJX-CVEARBPZSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365664656 526347626 /nfs/dbraw/zinc/34/76/26/526347626.db2.gz WJJFBCCQXBZUJX-CVEARBPZSA-N 0 1 307.821 3.579 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](CCOC)c2ccco2)cc1 ZINC000272596553 535686254 /nfs/dbraw/zinc/68/62/54/535686254.db2.gz RRVXQILXHHDVOV-SFHVURJKSA-N 0 1 316.445 3.993 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2c1nccc2Cl ZINC000925081543 1013502902 /nfs/dbraw/zinc/50/29/02/1013502902.db2.gz RGGIBKUUSLHPTJ-QGZVFWFLSA-N 0 1 315.848 3.887 20 10 DHCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000696618440 1014519921 /nfs/dbraw/zinc/51/99/21/1014519921.db2.gz IVMQCHGEQISGJW-NSHDSACASA-N 0 1 318.244 3.948 20 10 DHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccsc1 ZINC001595747848 982415530 /nfs/dbraw/zinc/41/55/30/982415530.db2.gz KLPZBMNVMPUZHY-INIZCTEOSA-N 0 1 319.426 3.882 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595891258 982925468 /nfs/dbraw/zinc/92/54/68/982925468.db2.gz QSUZGKHLSCRUSM-LLVKDONJSA-N 0 1 320.414 3.520 20 10 DHCDMN CN(C)c1ccc(CNC2(c3ccccc3F)CC2)cc1F ZINC000076766883 1015138490 /nfs/dbraw/zinc/13/84/90/1015138490.db2.gz MLOIYSOCOSBTIP-UHFFFAOYSA-N 0 1 302.368 3.810 20 10 DHCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000895658762 1015245628 /nfs/dbraw/zinc/24/56/28/1015245628.db2.gz OCCMAEFWYFFZPK-MRXNPFEDSA-N 0 1 305.805 3.647 20 10 DHCDMN COc1cc(C)cc(CN[C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895690309 1015257734 /nfs/dbraw/zinc/25/77/34/1015257734.db2.gz FOBCTDGNMPPPDS-SJLPKXTDSA-N 0 1 315.388 3.824 20 10 DHCDMN CCN(Cc1ccccc1O)Cc1cc(F)c(F)cc1OC ZINC001143400654 1015411858 /nfs/dbraw/zinc/41/18/58/1015411858.db2.gz YVUIPUQFXPNQCO-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227089 1015513211 /nfs/dbraw/zinc/51/32/11/1015513211.db2.gz JWQIUHORBCZFNE-GFCCVEGCSA-N 0 1 323.717 3.912 20 10 DHCDMN Cn1ccc(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000896496795 1015608475 /nfs/dbraw/zinc/60/84/75/1015608475.db2.gz ZNAXVIMGYAINTH-UHFFFAOYSA-N 0 1 321.424 3.659 20 10 DHCDMN CC(C)C[C@H](C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001591134243 991838178 /nfs/dbraw/zinc/83/81/78/991838178.db2.gz QTMCXJFLYKVRCB-LBPRGKRZSA-N 0 1 313.825 3.614 20 10 DHCDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000276847996 1015711072 /nfs/dbraw/zinc/71/10/72/1015711072.db2.gz CUVUMDKSJRKLQV-IHRRRGAJSA-N 0 1 315.465 3.796 20 10 DHCDMN C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183714985 1016329190 /nfs/dbraw/zinc/32/91/90/1016329190.db2.gz SWAXYAKWXZUVPY-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183714985 1016329199 /nfs/dbraw/zinc/32/91/99/1016329199.db2.gz SWAXYAKWXZUVPY-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN Cc1cnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185569191 1017016720 /nfs/dbraw/zinc/01/67/20/1017016720.db2.gz SBNDCHXNHXMCJC-LBPRGKRZSA-N 0 1 302.443 3.887 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000840876585 1017257243 /nfs/dbraw/zinc/25/72/43/1017257243.db2.gz XHFXWQNHUYNJOD-HNNXBMFYSA-N 0 1 324.877 3.808 20 10 DHCDMN C[C@H](NCc1ncnn1C(C)(C)C)c1ccc2ccccc2c1O ZINC000282778934 1032487131 /nfs/dbraw/zinc/48/71/31/1032487131.db2.gz PKUMTEVZJYHKFS-ZDUSSCGKSA-N 0 1 324.428 3.743 20 10 DHCDMN Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000160177302 1011933853 /nfs/dbraw/zinc/93/38/53/1011933853.db2.gz VBAIJHOSTLGWGG-INIZCTEOSA-N 0 1 317.454 3.943 20 10 DHCDMN C[N@@H+](Cc1ccsc1)Cc1cccc(Br)c1[O-] ZINC000120475848 1012588504 /nfs/dbraw/zinc/58/85/04/1012588504.db2.gz HNZVRCIBXNYDML-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN COc1ccc(CNCc2c(Cl)cccc2Cl)c(O)c1 ZINC000696904675 1017243155 /nfs/dbraw/zinc/24/31/55/1017243155.db2.gz MUMUMDWTLMIZFI-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021963004 1018015143 /nfs/dbraw/zinc/01/51/43/1018015143.db2.gz VHVBIYUBOXPICR-UHFFFAOYSA-N 0 1 308.381 3.581 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000021963004 1018015156 /nfs/dbraw/zinc/01/51/56/1018015156.db2.gz VHVBIYUBOXPICR-UHFFFAOYSA-N 0 1 308.381 3.581 20 10 DHCDMN C[C@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@H]1C ZINC000765099786 1018475695 /nfs/dbraw/zinc/47/56/95/1018475695.db2.gz KEWGZLSTKRQTLS-QWHCGFSZSA-N 0 1 311.381 3.901 20 10 DHCDMN C[C@H]1OCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@H]1C ZINC000765099786 1018475702 /nfs/dbraw/zinc/47/57/02/1018475702.db2.gz KEWGZLSTKRQTLS-QWHCGFSZSA-N 0 1 311.381 3.901 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccc(F)nc2C)cc1F ZINC000278549811 1018808255 /nfs/dbraw/zinc/80/82/55/1018808255.db2.gz UZMQNVNGRJSKMH-UHFFFAOYSA-N 0 1 319.399 3.804 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000858177641 1032792903 /nfs/dbraw/zinc/79/29/03/1032792903.db2.gz FGFUMNRLOMVVOD-VXGBXAGGSA-N 0 1 302.187 3.525 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000842928942 1018922572 /nfs/dbraw/zinc/92/25/72/1018922572.db2.gz MYIRQKODSOCKEU-SBMIAAHKSA-N 0 1 316.264 3.699 20 10 DHCDMN CN(C)c1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1F ZINC000858238972 1032812771 /nfs/dbraw/zinc/81/27/71/1032812771.db2.gz MRDWGFXWFRQPLU-IBGZPJMESA-N 0 1 313.420 3.918 20 10 DHCDMN CCc1nocc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858293931 1032831795 /nfs/dbraw/zinc/83/17/95/1032831795.db2.gz BDDPSOWGWAGGAH-UHFFFAOYSA-N 0 1 309.413 3.934 20 10 DHCDMN Cc1cc(CNCc2ccc(CO)o2)c(C)n1-c1cccc(C)c1 ZINC000858294266 1032832345 /nfs/dbraw/zinc/83/23/45/1032832345.db2.gz XEBDLOKGVCUVEL-UHFFFAOYSA-N 0 1 324.424 3.778 20 10 DHCDMN CCN(CC)c1ccc(CNCc2nn(C)c3ccccc23)cc1 ZINC000727467458 1019720291 /nfs/dbraw/zinc/72/02/91/1019720291.db2.gz ZPKNMVOTMLFCMY-UHFFFAOYSA-N 0 1 322.456 3.709 20 10 DHCDMN CN(C)c1ccc(/C=C/CNCc2nc3c(s2)CCC3)cc1 ZINC000922472810 1020089808 /nfs/dbraw/zinc/08/98/08/1020089808.db2.gz OTRQERLWUMDKTA-SNAWJCMRSA-N 0 1 313.470 3.501 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C/C=C\c1ccccc1 ZINC000732987188 1020312056 /nfs/dbraw/zinc/31/20/56/1020312056.db2.gz XOQWGGCCQDUDCL-DAXSKMNVSA-N 0 1 318.214 3.958 20 10 DHCDMN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000733331841 1020377281 /nfs/dbraw/zinc/37/72/81/1020377281.db2.gz JNNYJROKVDQBDF-AWEZNQCLSA-N 0 1 319.788 3.668 20 10 DHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177159601 1020479549 /nfs/dbraw/zinc/47/95/49/1020479549.db2.gz IQYXVGFGNWETBT-UHFFFAOYSA-N 0 1 304.821 3.505 20 10 DHCDMN CN(Cc1cc(Cl)cn1C)Cc1cc2c(cc1O)CCC2 ZINC000177159601 1020479551 /nfs/dbraw/zinc/47/95/51/1020479551.db2.gz IQYXVGFGNWETBT-UHFFFAOYSA-N 0 1 304.821 3.505 20 10 DHCDMN C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740005410 1020922844 /nfs/dbraw/zinc/92/28/44/1020922844.db2.gz BRJZOYCQKRATBK-PXAZEXFGSA-N 0 1 311.853 3.713 20 10 DHCDMN CC(=O)c1cc(F)cc(CN2CC[C@H](CC(F)(F)F)C2)c1O ZINC000278802254 1021017089 /nfs/dbraw/zinc/01/70/89/1021017089.db2.gz OQMKRWXXMVWNAU-SNVBAGLBSA-N 0 1 319.298 3.508 20 10 DHCDMN Cc1ccc(O[C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000742380767 1021108966 /nfs/dbraw/zinc/10/89/66/1021108966.db2.gz SWBHRJBBMQWEJQ-CYBMUJFWSA-N 0 1 305.805 3.911 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000742372879 1021113386 /nfs/dbraw/zinc/11/33/86/1021113386.db2.gz KFSBXFYZMXKHMJ-UHFFFAOYSA-N 0 1 317.816 3.841 20 10 DHCDMN Nc1ccc(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000262639712 1021224597 /nfs/dbraw/zinc/22/45/97/1021224597.db2.gz JRJIMGHWISNOND-UHFFFAOYSA-N 0 1 320.396 3.594 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@]1(C)O ZINC001236793727 1021275768 /nfs/dbraw/zinc/27/57/68/1021275768.db2.gz OIMCQURBQYMEJZ-BMIGLBTASA-N 0 1 318.244 3.682 20 10 DHCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(F)CC2)c(Cl)c1 ZINC001236798390 1021278855 /nfs/dbraw/zinc/27/88/55/1021278855.db2.gz NVEALLCAROJCCD-OAHLLOKOSA-N 0 1 301.789 3.768 20 10 DHCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(F)CC2)c(Cl)c1 ZINC001236798390 1021278871 /nfs/dbraw/zinc/27/88/71/1021278871.db2.gz NVEALLCAROJCCD-OAHLLOKOSA-N 0 1 301.789 3.768 20 10 DHCDMN CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850521545 1021575827 /nfs/dbraw/zinc/57/58/27/1021575827.db2.gz WEDCXNHKQUAVHQ-WCQYABFASA-N 0 1 305.752 3.511 20 10 DHCDMN C[C@@H]([NH2+]CCC(C)(C)F)c1cc(Br)ccc1[O-] ZINC000850531966 1021585096 /nfs/dbraw/zinc/58/50/96/1021585096.db2.gz PJZRWXQZRQXTQW-SECBINFHSA-N 0 1 304.203 3.944 20 10 DHCDMN C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(Br)cc1[O-] ZINC000850530939 1021585805 /nfs/dbraw/zinc/58/58/05/1021585805.db2.gz FHWJUORATCMBFD-SECBINFHSA-N 0 1 304.203 3.944 20 10 DHCDMN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850551415 1021600809 /nfs/dbraw/zinc/60/08/09/1021600809.db2.gz RSNALDNIIKSBGN-LLVKDONJSA-N 0 1 319.836 3.897 20 10 DHCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085076 1021669338 /nfs/dbraw/zinc/66/93/38/1021669338.db2.gz UWVMWIZFHVECDJ-JTQLQIEISA-N 0 1 304.217 3.700 20 10 DHCDMN CCn1nccc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000853093454 1022218955 /nfs/dbraw/zinc/21/89/55/1022218955.db2.gz LCPWTXYOGRDGAF-UHFFFAOYSA-N 0 1 322.456 3.909 20 10 DHCDMN COc1ccc(CN[C@H](C)c2cccc(F)c2F)c(O)c1OC ZINC000893210072 1022240934 /nfs/dbraw/zinc/24/09/34/1022240934.db2.gz OITPXVQLVXDJIX-SNVBAGLBSA-N 0 1 323.339 3.538 20 10 DHCDMN COc1ccc(O)c(CN(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000179679260 1022507206 /nfs/dbraw/zinc/50/72/06/1022507206.db2.gz WSGFFXOCXYZFKV-UHFFFAOYSA-N 0 1 319.351 3.844 20 10 DHCDMN COc1cc2c(cc1F)CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000776775822 1022570609 /nfs/dbraw/zinc/57/06/09/1022570609.db2.gz BJZPMEHMOADADL-UHFFFAOYSA-N 0 1 315.388 3.715 20 10 DHCDMN C[C@@H](NCc1coc(-c2cccs2)n1)c1ccccc1O ZINC000179883100 1022574806 /nfs/dbraw/zinc/57/48/06/1022574806.db2.gz FEORLJKHMKHQIG-LLVKDONJSA-N 0 1 300.383 3.960 20 10 DHCDMN O=[N+]([O-])c1ccc(CN(Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000179933485 1022584211 /nfs/dbraw/zinc/58/42/11/1022584211.db2.gz DWMYVFGOCCPDGN-UHFFFAOYSA-N 0 1 316.332 3.604 20 10 DHCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001237800758 1022859629 /nfs/dbraw/zinc/85/96/29/1022859629.db2.gz BWTZZEMPNSPTGS-UHFFFAOYSA-N 0 1 313.800 3.718 20 10 DHCDMN C[N@H+](Cc1cccc(Br)c1[O-])Cc1ccccc1F ZINC000768174627 1022913748 /nfs/dbraw/zinc/91/37/48/1022913748.db2.gz YVFKNSNBHJXHGB-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CCOc1cccc(CN(Cc2ccc(C)o2)C2CC2)c1O ZINC000768257558 1022933394 /nfs/dbraw/zinc/93/33/94/1022933394.db2.gz MNPWCCBVOFVPGH-UHFFFAOYSA-N 0 1 301.386 3.857 20 10 DHCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000769102995 1023091613 /nfs/dbraw/zinc/09/16/13/1023091613.db2.gz RNSFRKPJWHFSKN-OXJNMPFZSA-N 0 1 310.441 3.715 20 10 DHCDMN CN(C)c1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000769398295 1023139784 /nfs/dbraw/zinc/13/97/84/1023139784.db2.gz JJGGEQCAIOVEAX-HXUWFJFHSA-N 0 1 310.441 3.500 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000769930964 1023251076 /nfs/dbraw/zinc/25/10/76/1023251076.db2.gz RCXFMGVATDYVCE-SCLBCKFNSA-N 0 1 318.848 3.827 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000769986017 1023255898 /nfs/dbraw/zinc/25/58/98/1023255898.db2.gz GIRDETNIPZVADQ-SUMWQHHRSA-N 0 1 304.459 3.588 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@H](CO)c2ccsc2)cc1 ZINC000769986011 1023256430 /nfs/dbraw/zinc/25/64/30/1023256430.db2.gz GIRDETNIPZVADQ-CXAGYDPISA-N 0 1 304.459 3.588 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286393 1023290711 /nfs/dbraw/zinc/29/07/11/1023290711.db2.gz NZFLBHKLSJEQCV-QMTHXVAHSA-N 0 1 316.228 3.700 20 10 DHCDMN CCCC[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC000859296708 1033120612 /nfs/dbraw/zinc/12/06/12/1033120612.db2.gz NNAMOYGDRKQORH-UHFFFAOYSA-N 0 1 307.825 3.581 20 10 DHCDMN CCCCN(Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC000859296708 1033120621 /nfs/dbraw/zinc/12/06/21/1033120621.db2.gz NNAMOYGDRKQORH-UHFFFAOYSA-N 0 1 307.825 3.581 20 10 DHCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000770330302 1023298443 /nfs/dbraw/zinc/29/84/43/1023298443.db2.gz XDTSPCISYZSAPS-ZDUSSCGKSA-N 0 1 318.244 3.946 20 10 DHCDMN CO[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786952296 1023740106 /nfs/dbraw/zinc/74/01/06/1023740106.db2.gz ZSLVKKANGUKMEU-UFBFGSQYSA-N 0 1 311.731 3.664 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000788606073 1023912315 /nfs/dbraw/zinc/91/23/15/1023912315.db2.gz VBSMVQYXBGYTGR-TZMCWYRMSA-N 0 1 319.420 3.612 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185482232 1024030170 /nfs/dbraw/zinc/03/01/70/1024030170.db2.gz LHRCXKNIBVIIBM-HIFRSBDPSA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000185513372 1024033509 /nfs/dbraw/zinc/03/35/09/1024033509.db2.gz XLMIRFSSAQPEFM-PXAZEXFGSA-N 0 1 313.422 3.991 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000883272419 1024343258 /nfs/dbraw/zinc/34/32/58/1024343258.db2.gz LUFGQKUDAQQEMT-JKOKRWQUSA-N 0 1 317.351 3.877 20 10 DHCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)(C)O ZINC000790701813 1024358493 /nfs/dbraw/zinc/35/84/93/1024358493.db2.gz NVRLQAOFYZVDKA-ACJLOTCBSA-N 0 1 301.430 3.992 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cccc(F)c2N)cc1F ZINC000877028055 1033209837 /nfs/dbraw/zinc/20/98/37/1033209837.db2.gz WZDNBXSTIOYDNU-UHFFFAOYSA-N 0 1 319.399 3.683 20 10 DHCDMN Cc1nc2sccn2c1CN(C)Cc1cc(C)c(C)cc1O ZINC000271177653 1024466557 /nfs/dbraw/zinc/46/65/57/1024466557.db2.gz XJEWSSKSQUELLL-UHFFFAOYSA-N 0 1 315.442 3.659 20 10 DHCDMN COCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC000132640553 1024490950 /nfs/dbraw/zinc/49/09/50/1024490950.db2.gz SMAYEVKRDTWUQG-UHFFFAOYSA-N 0 1 306.233 3.803 20 10 DHCDMN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1cn[nH]c1 ZINC000271436508 1024505789 /nfs/dbraw/zinc/50/57/89/1024505789.db2.gz DURNDSGGROLMPJ-ZIAGYGMSSA-N 0 1 316.424 3.951 20 10 DHCDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c([O-])ccc(Cl)c1F ZINC000792156436 1024637268 /nfs/dbraw/zinc/63/72/68/1024637268.db2.gz FHSXWNSVSHOSIO-UHFFFAOYSA-N 0 1 323.751 3.545 20 10 DHCDMN COc1cccc2c1CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000792173410 1024640397 /nfs/dbraw/zinc/64/03/97/1024640397.db2.gz HDLOCRPJPUPYMT-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000026315571 1024678866 /nfs/dbraw/zinc/67/88/66/1024678866.db2.gz ACWCDJBINSQLAK-AWEZNQCLSA-N 0 1 314.429 3.621 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1Cl ZINC000897429165 1024967594 /nfs/dbraw/zinc/96/75/94/1024967594.db2.gz BORRQHFXFCARKZ-UHFFFAOYSA-N 0 1 319.836 3.640 20 10 DHCDMN COc1cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c(O)cc1C ZINC000793575061 1025124879 /nfs/dbraw/zinc/12/48/79/1025124879.db2.gz RTRCYIVURORRJJ-SFHVURJKSA-N 0 1 312.413 3.687 20 10 DHCDMN COc1cc(CN2CC(C)(C)[C@H]2c2cccnc2)c(O)cc1C ZINC000793575059 1025125112 /nfs/dbraw/zinc/12/51/12/1025125112.db2.gz RTRCYIVURORRJJ-GOSISDBHSA-N 0 1 312.413 3.687 20 10 DHCDMN CSC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000793787617 1025164124 /nfs/dbraw/zinc/16/41/24/1025164124.db2.gz DIFAGXMARXHKOP-ZDUSSCGKSA-N 0 1 302.443 3.515 20 10 DHCDMN CSC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000793787617 1025164135 /nfs/dbraw/zinc/16/41/35/1025164135.db2.gz DIFAGXMARXHKOP-ZDUSSCGKSA-N 0 1 302.443 3.515 20 10 DHCDMN C[C@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805079133 1025536290 /nfs/dbraw/zinc/53/62/90/1025536290.db2.gz ABALZGVPSHLSRA-QPUJVOFHSA-N 0 1 317.216 3.687 20 10 DHCDMN Cc1[nH]nc(CN(Cc2ccco2)Cc2ccccc2O)c1C ZINC000893864765 1025578650 /nfs/dbraw/zinc/57/86/50/1025578650.db2.gz ZVBJKAZCJPCNET-UHFFFAOYSA-N 0 1 311.385 3.528 20 10 DHCDMN Cc1n[nH]c(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000893948057 1025619527 /nfs/dbraw/zinc/61/95/27/1025619527.db2.gz QRNYMYFXDYMYHD-UHFFFAOYSA-N 0 1 300.450 3.503 20 10 DHCDMN CCOc1cccc(CNCc2cc(-c3ccccc3)on2)c1O ZINC000236911226 1025722961 /nfs/dbraw/zinc/72/29/61/1025722961.db2.gz RGWYQUKIDCSRFA-UHFFFAOYSA-N 0 1 324.380 3.736 20 10 DHCDMN CC(C)SCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000806168167 1025795972 /nfs/dbraw/zinc/79/59/72/1025795972.db2.gz VZUFNBBEHXYMPH-JTQLQIEISA-N 0 1 318.280 3.947 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(Cl)c1[O-] ZINC000806149165 1025810371 /nfs/dbraw/zinc/81/03/71/1025810371.db2.gz PVVLTCFUNBNEQY-BMIGLBTASA-N 0 1 307.825 3.749 20 10 DHCDMN Cc1cccc(NCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841748135 1026065601 /nfs/dbraw/zinc/06/56/01/1026065601.db2.gz HKRFOXFTOPQZKM-GFCCVEGCSA-N 0 1 305.809 3.512 20 10 DHCDMN Cc1cnc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)c1 ZINC000826535522 1026107825 /nfs/dbraw/zinc/10/78/25/1026107825.db2.gz YZELTZPLYOEZJY-UHFFFAOYSA-N 0 1 304.821 3.698 20 10 DHCDMN O=C(C=C1CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807840209 1026124141 /nfs/dbraw/zinc/12/41/41/1026124141.db2.gz UQEXLSFBSIUJND-UHFFFAOYSA-N 0 1 300.185 3.816 20 10 DHCDMN CSC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000807837191 1026131109 /nfs/dbraw/zinc/13/11/09/1026131109.db2.gz FZOLMYCRWFRQNZ-UHFFFAOYSA-N 0 1 320.241 3.601 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(C1CC1)C1CC1 ZINC000807838596 1026131756 /nfs/dbraw/zinc/13/17/56/1026131756.db2.gz YTZNVFDHDHGSAY-UHFFFAOYSA-N 0 1 314.212 3.751 20 10 DHCDMN CCCOc1ccc(C[N@@H+](CC)Cc2ccncc2)c(O)c1 ZINC000289958393 1026252594 /nfs/dbraw/zinc/25/25/94/1026252594.db2.gz YFCQIBGVJANTDU-UHFFFAOYSA-N 0 1 300.402 3.598 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000808700004 1026376300 /nfs/dbraw/zinc/37/63/00/1026376300.db2.gz HFTZASFNDNIXRZ-CYBMUJFWSA-N 0 1 311.853 3.947 20 10 DHCDMN CC[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265631 1026621863 /nfs/dbraw/zinc/62/18/63/1026621863.db2.gz XMMSPSJRZOINCO-HZPDHXFCSA-N 0 1 321.367 3.753 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218864 1026708687 /nfs/dbraw/zinc/70/86/87/1026708687.db2.gz DUYNTHWJQIRRQP-KGLIPLIRSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215460 1026709479 /nfs/dbraw/zinc/70/94/79/1026709479.db2.gz FVFCYDKGSDJBHZ-MFKMUULPSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H](CCO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220364 1026711292 /nfs/dbraw/zinc/71/12/92/1026711292.db2.gz WDYQMPVHAREBFH-DGCLKSJQSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226799 1026714209 /nfs/dbraw/zinc/71/42/09/1026714209.db2.gz LOJZZVIOKUDXKL-KGLIPLIRSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CCc1cccnc1OC)c1cc(Cl)ccc1[O-] ZINC000810259078 1026718593 /nfs/dbraw/zinc/71/85/93/1026718593.db2.gz AQJIYUAGMDVXJG-OAHLLOKOSA-N 0 1 320.820 3.733 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239306 1026725470 /nfs/dbraw/zinc/72/54/70/1026725470.db2.gz TVIIXCMDWIEPPE-RDBSUJKOSA-N 0 1 317.351 3.755 20 10 DHCDMN CC[C@H]([NH2+]CCOC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236253 1026726010 /nfs/dbraw/zinc/72/60/10/1026726010.db2.gz AXVYONNQMAGRBN-ZDUSSCGKSA-N 0 1 305.340 3.877 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2ncccc2N(C)C)c1O ZINC000810247013 1026729158 /nfs/dbraw/zinc/72/91/58/1026729158.db2.gz INSSSLBHZJIKAF-GFCCVEGCSA-N 0 1 319.836 3.666 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CCC1(F)F ZINC000811512716 1027028989 /nfs/dbraw/zinc/02/89/89/1027028989.db2.gz QJUQAFKTNYZRMF-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN C[C@@H](c1ccccc1)N(Cc1cncn1C)Cc1ccccc1O ZINC000272011370 1027201821 /nfs/dbraw/zinc/20/18/21/1027201821.db2.gz JXSAHZIEIBFCPP-INIZCTEOSA-N 0 1 321.424 3.889 20 10 DHCDMN COc1ccc(F)cc1CNCc1ccc2c(c1)CCCN2C ZINC000812747334 1027385209 /nfs/dbraw/zinc/38/52/09/1027385209.db2.gz WFSINQOACLRUER-UHFFFAOYSA-N 0 1 314.404 3.507 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876930 1027748733 /nfs/dbraw/zinc/74/87/33/1027748733.db2.gz DTNNKOZACMZYLR-QMTHXVAHSA-N 0 1 319.276 3.937 20 10 DHCDMN COc1c(C)cc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1C ZINC000779004619 1027756150 /nfs/dbraw/zinc/75/61/50/1027756150.db2.gz AJJFYBXREFQAOL-UHFFFAOYSA-N 0 1 303.377 3.789 20 10 DHCDMN Cc1ccoc1C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000814174551 1027910216 /nfs/dbraw/zinc/91/02/16/1027910216.db2.gz GADWNVVZVYDPPT-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365509485 1027958307 /nfs/dbraw/zinc/95/83/07/1027958307.db2.gz QJKRWEJDFVNQER-ATZDWAIDSA-N 0 1 311.425 3.791 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365509485 1027958314 /nfs/dbraw/zinc/95/83/14/1027958314.db2.gz QJKRWEJDFVNQER-ATZDWAIDSA-N 0 1 311.425 3.791 20 10 DHCDMN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779044265 1028021002 /nfs/dbraw/zinc/02/10/02/1028021002.db2.gz OEYMYYCNOUXIPP-OAHLLOKOSA-N 0 1 305.372 3.667 20 10 DHCDMN Oc1c(Br)cccc1CNc1cc2c(cn1)CCC2 ZINC000815159169 1028385212 /nfs/dbraw/zinc/38/52/12/1028385212.db2.gz KONIICINDOMJKF-UHFFFAOYSA-N 0 1 319.202 3.651 20 10 DHCDMN C[C@H](NCC(C)(F)F)c1cc(Br)c(F)cc1O ZINC000815644692 1028590060 /nfs/dbraw/zinc/59/00/60/1028590060.db2.gz JHPVOQMEPRPOFV-LURJTMIESA-N 0 1 312.129 3.600 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1[O-] ZINC000815643103 1028590214 /nfs/dbraw/zinc/59/02/14/1028590214.db2.gz UBRIETQJVUWASB-YGRLFVJLSA-N 0 1 306.793 3.948 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1[O-] ZINC000748051384 1028768699 /nfs/dbraw/zinc/76/86/99/1028768699.db2.gz SSILZLCTFCTKAD-SFHVURJKSA-N 0 1 313.372 3.853 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCc3ccccc32)c1[O-] ZINC000748051384 1028768713 /nfs/dbraw/zinc/76/87/13/1028768713.db2.gz SSILZLCTFCTKAD-SFHVURJKSA-N 0 1 313.372 3.853 20 10 DHCDMN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000372597052 1028874530 /nfs/dbraw/zinc/87/45/30/1028874530.db2.gz WOBCUEVFFHHXHI-GOEBONIOSA-N 0 1 318.442 3.682 20 10 DHCDMN COc1ccccc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481093 1028890300 /nfs/dbraw/zinc/89/03/00/1028890300.db2.gz INONLLXSSNXIDF-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816488545 1028893421 /nfs/dbraw/zinc/89/34/21/1028893421.db2.gz XXRPHUAGIRYEOY-AWEZNQCLSA-N 0 1 310.756 3.818 20 10 DHCDMN C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816492976 1028897324 /nfs/dbraw/zinc/89/73/24/1028897324.db2.gz KSVLLOAWWSAXSC-GFCCVEGCSA-N 0 1 323.795 3.568 20 10 DHCDMN COc1ccccc1OCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528602 1028920632 /nfs/dbraw/zinc/92/06/32/1028920632.db2.gz JUXADOKYHGUDNC-UHFFFAOYSA-N 0 1 323.392 3.723 20 10 DHCDMN CC(C)C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N(C)C ZINC000816534719 1028921866 /nfs/dbraw/zinc/92/18/66/1028921866.db2.gz RZBHQESCPVEOBU-KRWDZBQOSA-N 0 1 300.446 3.611 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccccc2F)ccc2ccccc12 ZINC000816537849 1028926793 /nfs/dbraw/zinc/92/67/93/1028926793.db2.gz VVCBPDUXGJREQR-SFHVURJKSA-N 0 1 311.356 3.508 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](O)c2cccc(F)c2)ccc2ccccc12 ZINC000816543771 1028927457 /nfs/dbraw/zinc/92/74/57/1028927457.db2.gz NJWNKJKRVHBFIZ-SFHVURJKSA-N 0 1 311.356 3.508 20 10 DHCDMN [O-]c1c(C[NH2+]CCCNc2ccccn2)ccc2ccccc21 ZINC000816563400 1028944259 /nfs/dbraw/zinc/94/42/59/1028944259.db2.gz WUQRMYZNHVLTED-UHFFFAOYSA-N 0 1 307.397 3.532 20 10 DHCDMN Cc1cccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])[nH]c21 ZINC000816559166 1028944489 /nfs/dbraw/zinc/94/44/89/1028944489.db2.gz AEHKHIRVCLLDLI-UHFFFAOYSA-N 0 1 319.767 3.659 20 10 DHCDMN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559261 1028944654 /nfs/dbraw/zinc/94/46/54/1028944654.db2.gz CSBHSAWMQNWVLS-CXAGYDPISA-N 0 1 311.381 3.740 20 10 DHCDMN [O-]c1c(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816568092 1028948326 /nfs/dbraw/zinc/94/83/26/1028948326.db2.gz WPWDVPFVQBDETR-SFHVURJKSA-N 0 1 311.425 3.794 20 10 DHCDMN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816601347 1028956802 /nfs/dbraw/zinc/95/68/02/1028956802.db2.gz YJKGMNBHFQINMD-HXUWFJFHSA-N 0 1 321.420 3.985 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000816615570 1028965106 /nfs/dbraw/zinc/96/51/06/1028965106.db2.gz ZHBLCDIKSLJAEL-LBPRGKRZSA-N 0 1 315.816 3.964 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1CC1CCC1 ZINC000816667489 1028984165 /nfs/dbraw/zinc/98/41/65/1028984165.db2.gz OJTVLROQBUIVGL-GFCCVEGCSA-N 0 1 313.800 3.576 20 10 DHCDMN CCN(CC)c1ccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000816665983 1028985696 /nfs/dbraw/zinc/98/56/96/1028985696.db2.gz BJSYJKAGHNZZTH-PMACEKPBSA-N 0 1 314.473 3.676 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)c(Cl)c1[O-] ZINC000818616703 1029420061 /nfs/dbraw/zinc/42/00/61/1029420061.db2.gz ZTXZMXYWKMMIPC-XXILOJSOSA-N 0 1 303.233 3.620 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCSCCC(F)(F)F ZINC000865788208 1030025828 /nfs/dbraw/zinc/02/58/28/1030025828.db2.gz HZLSAZQRYWMELB-UHFFFAOYSA-N 0 1 313.772 3.821 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(Cl)cc1[O-] ZINC000841757966 1030194695 /nfs/dbraw/zinc/19/46/95/1030194695.db2.gz JKFUSURZRGJAHI-MWLCHTKSSA-N 0 1 303.880 3.545 20 10 DHCDMN C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866482672 1030319109 /nfs/dbraw/zinc/31/91/09/1030319109.db2.gz ZYBFHXKJQSEHJZ-SUMWQHHRSA-N 0 1 307.409 3.921 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000866540272 1030358456 /nfs/dbraw/zinc/35/84/56/1030358456.db2.gz XNOQXELEQULUQZ-FFSVYQOJSA-N 0 1 309.837 3.759 20 10 DHCDMN CC[C@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866568403 1030381574 /nfs/dbraw/zinc/38/15/74/1030381574.db2.gz ZKHQXSOUTZJQAO-HNNXBMFYSA-N 0 1 322.403 3.665 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000824521785 1030574503 /nfs/dbraw/zinc/57/45/03/1030574503.db2.gz OHLPYZYQUIMASB-UHFFFAOYSA-N 0 1 309.837 3.563 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC(OCC(C)C)CC2)cc1Cl ZINC000824602388 1030590324 /nfs/dbraw/zinc/59/03/24/1030590324.db2.gz XUGCYLNSZRUXJT-UHFFFAOYSA-N 0 1 311.853 3.991 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696796 1030606640 /nfs/dbraw/zinc/60/66/40/1030606640.db2.gz SXPOQYVLIPQFQF-NUEKZKHPSA-N 0 1 309.837 3.561 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])[C@@H](C)O ZINC000824921082 1030674340 /nfs/dbraw/zinc/67/43/40/1030674340.db2.gz DXKJHEONZGBIMQ-WQAKAFBOSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825245104 1030759764 /nfs/dbraw/zinc/75/97/64/1030759764.db2.gz FHLPCFYJLSHUAA-HIFRSBDPSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3nc(C)ncc32)cc1Cl ZINC000825279780 1030765221 /nfs/dbraw/zinc/76/52/21/1030765221.db2.gz XSPMQDVWJMLACN-HNNXBMFYSA-N 0 1 317.820 3.620 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CCO)c2ccccc2)cc1Cl ZINC000825297748 1030766869 /nfs/dbraw/zinc/76/68/69/1030766869.db2.gz MSVRYMVRFBCVGV-HNNXBMFYSA-N 0 1 319.832 3.610 20 10 DHCDMN COC[C@H](NCc1cc(Cl)c(C)cc1O)c1ccc(C)o1 ZINC000825325516 1030774106 /nfs/dbraw/zinc/77/41/06/1030774106.db2.gz GWABNYVJVCRIJE-AWEZNQCLSA-N 0 1 309.793 3.733 20 10 DHCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000825322044 1030775332 /nfs/dbraw/zinc/77/53/32/1030775332.db2.gz WBRGIFGZGMHCAE-LLVKDONJSA-N 0 1 318.244 3.948 20 10 DHCDMN Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825327757 1030777330 /nfs/dbraw/zinc/77/73/30/1030777330.db2.gz ZZLSMGMHEULAIW-ZDUSSCGKSA-N 0 1 311.834 3.547 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000825359050 1030788155 /nfs/dbraw/zinc/78/81/55/1030788155.db2.gz XIKWPCIYQVBKGB-BBRMVZONSA-N 0 1 311.853 3.775 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)COC3)cc1Cl ZINC000825357405 1030788198 /nfs/dbraw/zinc/78/81/98/1030788198.db2.gz DVPSONBSSRQQIK-UHFFFAOYSA-N 0 1 303.789 3.674 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000825391612 1030799576 /nfs/dbraw/zinc/79/95/76/1030799576.db2.gz YYGRKANWBWPHKI-QGZVFWFLSA-N 0 1 316.832 3.630 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1Cl ZINC000825404973 1030804983 /nfs/dbraw/zinc/80/49/83/1030804983.db2.gz ADIAUIWUXBIKGD-ZDUSSCGKSA-N 0 1 311.853 3.632 20 10 DHCDMN Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825406720 1030805025 /nfs/dbraw/zinc/80/50/25/1030805025.db2.gz YFCMTVGSDBEEAM-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN COc1cc(CN(C)Cc2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000825502118 1030829060 /nfs/dbraw/zinc/82/90/60/1030829060.db2.gz UKODNRCNWXOIPC-UHFFFAOYSA-N 0 1 314.429 3.725 20 10 DHCDMN COc1cc2c(cc1F)nccc2N(C)Cc1ccccc1O ZINC000795117912 1031003362 /nfs/dbraw/zinc/00/33/62/1031003362.db2.gz AKANKQUOIRXEQT-UHFFFAOYSA-N 0 1 312.344 3.725 20 10 DHCDMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1c(O)cc(O)cc1O ZINC001144514855 1031672727 /nfs/dbraw/zinc/67/27/27/1031672727.db2.gz VDDYMVKKLDOSKN-FZKQIMNGSA-N 0 1 323.433 3.567 20 10 DHCDMN CC[C@H]1CO[C@](C)(CCC(C)C)N1Cc1c(O)cc(O)cc1O ZINC001144514856 1031673069 /nfs/dbraw/zinc/67/30/69/1031673069.db2.gz VDDYMVKKLDOSKN-SCLBCKFNSA-N 0 1 323.433 3.567 20 10 DHCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000845972962 1031790038 /nfs/dbraw/zinc/79/00/38/1031790038.db2.gz SUOHTWQPTFDPIT-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN COc1cccc([C@@H](C)N[C@H]2COc3ccc(Cl)cc32)c1O ZINC000846154722 1031885412 /nfs/dbraw/zinc/88/54/12/1031885412.db2.gz RLWLXFKDALVUJU-YGRLFVJLSA-N 0 1 319.788 3.839 20 10 DHCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000846183349 1031917157 /nfs/dbraw/zinc/91/71/57/1031917157.db2.gz IAEGNYOZKYSGIR-DEYYWGMASA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189333 1031924931 /nfs/dbraw/zinc/92/49/31/1031924931.db2.gz SXLRXVSOJLRONA-DIFFPNOSSA-N 0 1 309.837 3.901 20 10 DHCDMN CCOc1ccc(O)c(CNC(C)(C)c2nc(C)c(C)s2)c1 ZINC000124720677 1031955844 /nfs/dbraw/zinc/95/58/44/1031955844.db2.gz JHGLGTMQVQPWSP-UHFFFAOYSA-N 0 1 320.458 3.889 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1Cl ZINC000825710734 1031966608 /nfs/dbraw/zinc/96/66/08/1031966608.db2.gz ZKUWQQWIAGCEQS-UHFFFAOYSA-N 0 1 316.832 3.918 20 10 DHCDMN CCOc1cccc(F)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000877533697 1033340824 /nfs/dbraw/zinc/34/08/24/1033340824.db2.gz QDJCDDDQPPGRLX-GFCCVEGCSA-N 0 1 319.376 3.789 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccncc1 ZINC000877548003 1033349586 /nfs/dbraw/zinc/34/95/86/1033349586.db2.gz CJUXHUXGCQEWEM-MRXNPFEDSA-N 0 1 304.340 3.649 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccncc1 ZINC000877548003 1033349601 /nfs/dbraw/zinc/34/96/01/1033349601.db2.gz CJUXHUXGCQEWEM-MRXNPFEDSA-N 0 1 304.340 3.649 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000877730254 1033423456 /nfs/dbraw/zinc/42/34/56/1033423456.db2.gz SJXZRPFBVFIUJF-HKUYNNGSSA-N 0 1 311.425 3.698 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000826049737 1033749743 /nfs/dbraw/zinc/74/97/43/1033749743.db2.gz YJJYOJTZWURZMP-OIISXLGYSA-N 0 1 323.864 3.870 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000826049737 1033749760 /nfs/dbraw/zinc/74/97/60/1033749760.db2.gz YJJYOJTZWURZMP-OIISXLGYSA-N 0 1 323.864 3.870 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000862242789 1033794552 /nfs/dbraw/zinc/79/45/52/1033794552.db2.gz QXWKKEMQBPZZBW-NSHDSACASA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000862242789 1033794563 /nfs/dbraw/zinc/79/45/63/1033794563.db2.gz QXWKKEMQBPZZBW-NSHDSACASA-N 0 1 322.202 3.737 20 10 DHCDMN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@H](CCF)C1 ZINC000862530494 1033875665 /nfs/dbraw/zinc/87/56/65/1033875665.db2.gz NPXSJGBZQZROMA-SFHVURJKSA-N 0 1 315.388 3.620 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862540375 1033879668 /nfs/dbraw/zinc/87/96/68/1033879668.db2.gz DNDDTBWAEIITAL-ZDUSSCGKSA-N 0 1 303.789 3.741 20 10 DHCDMN COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826140177 1034181273 /nfs/dbraw/zinc/18/12/73/1034181273.db2.gz ZXYQRFSFPGCAJM-NSHDSACASA-N 0 1 313.825 3.503 20 10 DHCDMN CC1(C)Cc2cccc(NCc3ccc(F)c(F)c3O)c2O1 ZINC000864033621 1034266621 /nfs/dbraw/zinc/26/66/21/1034266621.db2.gz YTTVHPPLWHIJSZ-UHFFFAOYSA-N 0 1 305.324 3.996 20 10 DHCDMN CO[C@H]1CCOc2c(NCc3ccc(F)c(F)c3O)cccc21 ZINC000864035496 1034270816 /nfs/dbraw/zinc/27/08/16/1034270816.db2.gz KZTQRIAFCLCHDK-AWEZNQCLSA-N 0 1 321.323 3.753 20 10 DHCDMN COc1cc(Cl)cc(CN(C)[C@@H](C)c2ccccn2)c1O ZINC000184715930 1034496592 /nfs/dbraw/zinc/49/65/92/1034496592.db2.gz CEIBSMWSWAIJKM-NSHDSACASA-N 0 1 306.793 3.642 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1[O-] ZINC000185099589 1034526545 /nfs/dbraw/zinc/52/65/45/1034526545.db2.gz SYDNWBZIXBVFSF-JTQLQIEISA-N 0 1 305.761 3.625 20 10 DHCDMN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185475280 1034550848 /nfs/dbraw/zinc/55/08/48/1034550848.db2.gz SUHKZQUPSSCLES-MCMMXHMISA-N 0 1 319.470 3.743 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000185669930 1034566088 /nfs/dbraw/zinc/56/60/88/1034566088.db2.gz KZVFGLQKWAOGKC-MWLCHTKSSA-N 0 1 303.880 3.545 20 10 DHCDMN COc1ccc(F)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000185918151 1034584643 /nfs/dbraw/zinc/58/46/43/1034584643.db2.gz OEKMONIUEYOSQC-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN CSC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000186080872 1034598550 /nfs/dbraw/zinc/59/85/50/1034598550.db2.gz OTHIGABNRXOROS-LLVKDONJSA-N 0 1 315.866 3.608 20 10 DHCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000186131064 1034602051 /nfs/dbraw/zinc/60/20/51/1034602051.db2.gz WNNJUJFPCCLOJP-OCCSQVGLSA-N 0 1 309.413 3.859 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000691682292 1035327533 /nfs/dbraw/zinc/32/75/33/1035327533.db2.gz OZPKKVQMHYXIAP-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000691682292 1035327537 /nfs/dbraw/zinc/32/75/37/1035327537.db2.gz OZPKKVQMHYXIAP-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN CCOc1ccc(CN[C@@H](C)c2c(F)cccc2F)c(O)c1 ZINC000905006650 1035475433 /nfs/dbraw/zinc/47/54/33/1035475433.db2.gz QEVZOVDMTZUCJN-NSHDSACASA-N 0 1 307.340 3.920 20 10 DHCDMN Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001180372836 1035667538 /nfs/dbraw/zinc/66/75/38/1035667538.db2.gz ZSQZULAVEFLZGV-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001180372836 1035667547 /nfs/dbraw/zinc/66/75/47/1035667547.db2.gz ZSQZULAVEFLZGV-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN Cc1cc(C)c(NC(=O)c2cc(O)c(O)c(Cl)c2)cc1C ZINC001193624402 1035677664 /nfs/dbraw/zinc/67/76/64/1035677664.db2.gz CPURWIRZVIOSSY-UHFFFAOYSA-N 0 1 305.761 3.929 20 10 DHCDMN CCOC(=O)c1ccc(CNCc2cc(C(C)C)ccc2O)o1 ZINC001181498098 1035927834 /nfs/dbraw/zinc/92/78/34/1035927834.db2.gz RSDLSLFRUDCIQI-UHFFFAOYSA-N 0 1 317.385 3.575 20 10 DHCDMN C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452426 1036008683 /nfs/dbraw/zinc/00/86/83/1036008683.db2.gz WDQWSJUDGXDONV-VIFPVBQESA-N 0 1 309.278 3.888 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452426 1036008697 /nfs/dbraw/zinc/00/86/97/1036008697.db2.gz WDQWSJUDGXDONV-VIFPVBQESA-N 0 1 309.278 3.888 20 10 DHCDMN C[Si](C)(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[O-])cc1 ZINC001181861440 1036020159 /nfs/dbraw/zinc/02/01/59/1036020159.db2.gz SORWTZLWAOMUQJ-UHFFFAOYSA-N 0 1 319.908 3.881 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1F)Cc1cc(OC)ccc1O ZINC000775653610 1036236490 /nfs/dbraw/zinc/23/64/90/1036236490.db2.gz KGGSLYWLPFVXRY-UHFFFAOYSA-N 0 1 303.377 3.952 20 10 DHCDMN Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c1O ZINC000775657736 1036261352 /nfs/dbraw/zinc/26/13/52/1036261352.db2.gz GYZRRGBUTOFKBE-SFHVURJKSA-N 0 1 321.424 3.924 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCOc2ccccc2C1 ZINC000775659254 1036264417 /nfs/dbraw/zinc/26/44/17/1036264417.db2.gz HKYCPJWVLAIQSW-UHFFFAOYSA-N 0 1 307.752 3.579 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1Cc2ccccc2C1 ZINC000775661385 1036274344 /nfs/dbraw/zinc/27/43/44/1036274344.db2.gz NBAXRBCZEGKNSQ-UHFFFAOYSA-N 0 1 305.780 3.784 20 10 DHCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1OCCc2ccccc21 ZINC000775661174 1036277336 /nfs/dbraw/zinc/27/73/36/1036277336.db2.gz MTZIOYBBAMPTGG-KRWDZBQOSA-N 0 1 317.816 3.791 20 10 DHCDMN Cc1cc(Cl)cc(CN2CCC[N@H+](C3CCCC3)CC2)c1O ZINC000775668037 1036313845 /nfs/dbraw/zinc/31/38/45/1036313845.db2.gz QPHKBOGWKRKWCT-UHFFFAOYSA-N 0 1 322.880 3.804 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000775716941 1036537624 /nfs/dbraw/zinc/53/76/24/1036537624.db2.gz JAGFBFMNIGTTIE-MRXNPFEDSA-N 0 1 313.800 3.577 20 10 DHCDMN O=C1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12 ZINC001203586473 1036826837 /nfs/dbraw/zinc/82/68/37/1036826837.db2.gz OHODLPHRDQWCGA-JOYOIKCWSA-N 0 1 314.212 3.500 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccnc(OC)c2)cc1 ZINC000762920432 1037067796 /nfs/dbraw/zinc/06/77/96/1037067796.db2.gz XCOCDBMMMODQFA-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC001326116488 1037108617 /nfs/dbraw/zinc/10/86/17/1037108617.db2.gz QXHPZRXHDIPVQL-GHMZBOCLSA-N 0 1 313.825 3.817 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC001326116500 1037115041 /nfs/dbraw/zinc/11/50/41/1037115041.db2.gz QXHPZRXHDIPVQL-WDEREUQCSA-N 0 1 313.825 3.817 20 10 DHCDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774902205 1037193420 /nfs/dbraw/zinc/19/34/20/1037193420.db2.gz HLSYJRPCVFOZKF-OCCSQVGLSA-N 0 1 322.405 3.710 20 10 DHCDMN Cc1cc(O)c(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329342 1037244714 /nfs/dbraw/zinc/24/47/14/1037244714.db2.gz RBZRGRULQBZLRN-GASCZTMLSA-N 0 1 324.896 3.812 20 10 DHCDMN Cc1cc(O)c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001199329342 1037244733 /nfs/dbraw/zinc/24/47/33/1037244733.db2.gz RBZRGRULQBZLRN-GASCZTMLSA-N 0 1 324.896 3.812 20 10 DHCDMN COc1ccc(OCCC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC001199678903 1037305925 /nfs/dbraw/zinc/30/59/25/1037305925.db2.gz RSMVBXITSRYZNO-UHFFFAOYSA-N 0 1 321.804 3.613 20 10 DHCDMN CCO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000775026977 1037431281 /nfs/dbraw/zinc/43/12/81/1037431281.db2.gz CSJWARICODTWTO-QGZVFWFLSA-N 0 1 305.805 3.913 20 10 DHCDMN Cc1cccc2oc(CC[NH2+]Cc3c([O-])cccc3Cl)nc21 ZINC000776217897 1037920179 /nfs/dbraw/zinc/92/01/79/1037920179.db2.gz BWPINWNSFDGLML-UHFFFAOYSA-N 0 1 316.788 3.828 20 10 DHCDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncc(Cl)s1 ZINC001189833532 1038225581 /nfs/dbraw/zinc/22/55/81/1038225581.db2.gz XWIZWYZAURSMQU-UHFFFAOYSA-N 0 1 302.764 3.703 20 10 DHCDMN CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC001190905187 1038407228 /nfs/dbraw/zinc/40/72/28/1038407228.db2.gz WUJHRZHQNDEIAE-KRWDZBQOSA-N 0 1 319.445 3.678 20 10 DHCDMN CC1(C)OC[C@H](CC[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC001190905187 1038407236 /nfs/dbraw/zinc/40/72/36/1038407236.db2.gz WUJHRZHQNDEIAE-KRWDZBQOSA-N 0 1 319.445 3.678 20 10 DHCDMN CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC001190905187 1038407239 /nfs/dbraw/zinc/40/72/39/1038407239.db2.gz WUJHRZHQNDEIAE-KRWDZBQOSA-N 0 1 319.445 3.678 20 10 DHCDMN O=S(=O)(CC1CCCC1)Nc1cc(Cl)c(O)cc1Cl ZINC001191527253 1038514503 /nfs/dbraw/zinc/51/45/03/1038514503.db2.gz WWURKFMXDPNBKK-UHFFFAOYSA-N 0 1 324.229 3.631 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510059 1038592539 /nfs/dbraw/zinc/59/25/39/1038592539.db2.gz UTZRCFOAFWITJE-ZFWWWQNUSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000775508146 1038599336 /nfs/dbraw/zinc/59/93/36/1038599336.db2.gz SAIRODOBEUDZIP-OAHLLOKOSA-N 0 1 306.793 3.560 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775514017 1038608566 /nfs/dbraw/zinc/60/85/66/1038608566.db2.gz QRSOAODLOFPIOV-HOTGVXAUSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000775521990 1038624211 /nfs/dbraw/zinc/62/42/11/1038624211.db2.gz GVCHHDDLOHFAQR-CQSZACIVSA-N 0 1 324.783 3.699 20 10 DHCDMN CC[C@H]([NH2+]CCOC(C)C)c1cc(Br)ccc1[O-] ZINC000157982991 1039745425 /nfs/dbraw/zinc/74/54/25/1039745425.db2.gz HYESJQKQNNNBQW-ZDUSSCGKSA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000231751360 1040392837 /nfs/dbraw/zinc/39/28/37/1040392837.db2.gz SNQGYCLKLSOERI-ZETCQYMHSA-N 0 1 312.129 3.585 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000273365945 130112215 /nfs/dbraw/zinc/11/22/15/130112215.db2.gz FCDGJBMAJHVBQI-HZMBPMFUSA-N 0 1 305.809 3.507 20 10 DHCDMN CCCOc1ccc(CN[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000285571703 131182113 /nfs/dbraw/zinc/18/21/13/131182113.db2.gz UHIOOLBSMYHNOF-NSHDSACASA-N 0 1 322.355 3.705 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H]2CCc3cccc(O)c32)o1 ZINC000297861669 132037416 /nfs/dbraw/zinc/03/74/16/132037416.db2.gz UEHBYKVZNVMTDU-CABCVRRESA-N 0 1 301.386 3.512 20 10 DHCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295243064 335134390 /nfs/dbraw/zinc/13/43/90/335134390.db2.gz PKBZZRDSQAVCNF-LBPRGKRZSA-N 0 1 318.244 3.682 20 10 DHCDMN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(Cl)c1[O-] ZINC000296331622 334232032 /nfs/dbraw/zinc/23/20/32/334232032.db2.gz HJRXEUFOLAIRPL-IAYQEVDDSA-N 0 1 308.853 3.712 20 10 DHCDMN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000368651084 336849942 /nfs/dbraw/zinc/84/99/42/336849942.db2.gz FWMLFBYDDJNUEZ-JECHBYEQSA-N 0 1 309.837 3.901 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2COc3c2cccc3Cl)c1 ZINC000375243243 337006494 /nfs/dbraw/zinc/00/64/94/337006494.db2.gz VWZARFYSHDYZNC-ZUZCIYMTSA-N 0 1 319.788 3.839 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377693881 337058746 /nfs/dbraw/zinc/05/87/46/337058746.db2.gz DCTUSPRLCRQHQN-XIRDDKMYSA-N 0 1 317.454 3.613 20 10 DHCDMN CN(C)c1ccc(CNCc2ncoc2-c2ccccc2)cc1 ZINC000378150157 337067159 /nfs/dbraw/zinc/06/71/59/337067159.db2.gz AQTHRJJAGXEMFQ-UHFFFAOYSA-N 0 1 307.397 3.697 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113233 337253821 /nfs/dbraw/zinc/25/38/21/337253821.db2.gz RLKSYVCSXOULTB-LSDHHAIUSA-N 0 1 322.412 3.693 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305772234 337387321 /nfs/dbraw/zinc/38/73/21/337387321.db2.gz HUFMLIDMOUYLKC-DZGCQCFKSA-N 0 1 321.804 3.727 20 10 DHCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cn2ccccc2n1 ZINC000551281823 341336966 /nfs/dbraw/zinc/33/69/66/341336966.db2.gz JFDASJHIRIETKC-OAHLLOKOSA-N 0 1 318.424 3.985 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccc(COC)o2)cc1F ZINC000127605835 520908779 /nfs/dbraw/zinc/90/87/79/520908779.db2.gz BRHYMMZBAKYIRK-UHFFFAOYSA-N 0 1 320.408 3.701 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cnn(CC)c2)cc1F ZINC000158707446 520910809 /nfs/dbraw/zinc/91/08/09/520910809.db2.gz VIYIVHQJHRMWHJ-CQSZACIVSA-N 0 1 318.440 3.739 20 10 DHCDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1O ZINC000185300607 524074221 /nfs/dbraw/zinc/07/42/21/524074221.db2.gz FELNEEDGVAQBCP-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1F ZINC000829496901 604770008 /nfs/dbraw/zinc/77/00/08/604770008.db2.gz UZMQEGZDPKZTLB-KRWDZBQOSA-N 0 1 317.360 3.569 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1F ZINC000829496901 604770010 /nfs/dbraw/zinc/77/00/10/604770010.db2.gz UZMQEGZDPKZTLB-KRWDZBQOSA-N 0 1 317.360 3.569 20 10 DHCDMN CCN(Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000050151492 1017116625 /nfs/dbraw/zinc/11/66/25/1017116625.db2.gz RIJUQDJKZVJTSH-UHFFFAOYSA-N 0 1 307.390 3.818 20 10 DHCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(C)c1 ZINC000846278120 979446118 /nfs/dbraw/zinc/44/61/18/979446118.db2.gz LSZSSRAJGAYQMV-INIZCTEOSA-N 0 1 318.461 3.670 20 10 DHCDMN Cc1ccc(N2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cc1 ZINC001140340030 1014621541 /nfs/dbraw/zinc/62/15/41/1014621541.db2.gz RZWPZNZKQYAYAC-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN Cc1ccc(N2CCN(Cc3c(O)cccc3Cl)CC2)cc1 ZINC001140340030 1014621546 /nfs/dbraw/zinc/62/15/46/1014621546.db2.gz RZWPZNZKQYAYAC-UHFFFAOYSA-N 0 1 316.832 3.676 20 10 DHCDMN CCC[C@H](C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595577967 981497550 /nfs/dbraw/zinc/49/75/50/981497550.db2.gz DBTJPSPXFSKLFL-NSHDSACASA-N 0 1 306.381 3.636 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896197762 1015497758 /nfs/dbraw/zinc/49/77/58/1015497758.db2.gz GPTJJYNMHZYQPG-UHFFFAOYSA-N 0 1 317.820 3.517 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1Cl ZINC000896561577 1015642594 /nfs/dbraw/zinc/64/25/94/1015642594.db2.gz OJEYGUMDHHUXMH-UHFFFAOYSA-N 0 1 319.832 3.753 20 10 DHCDMN Cc1cc(O)c(CNCc2nc3c(s2)CCCC3)cc1Cl ZINC000896822058 1015761015 /nfs/dbraw/zinc/76/10/15/1015761015.db2.gz HMGBNLAKMFPBFB-UHFFFAOYSA-N 0 1 322.861 3.979 20 10 DHCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275377 1016130503 /nfs/dbraw/zinc/13/05/03/1016130503.db2.gz QBVIAPOFFLNMGM-YNEHKIRRSA-N 0 1 302.422 3.744 20 10 DHCDMN COc1ccc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c(O)c1OC ZINC000892195327 1016395524 /nfs/dbraw/zinc/39/55/24/1016395524.db2.gz PQBLHSHROFIZLJ-GUYCJALGSA-N 0 1 313.397 3.602 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000773135307 1032566571 /nfs/dbraw/zinc/56/65/71/1032566571.db2.gz COGVFAIKZFPSCP-UONOGXRCSA-N 0 1 315.465 3.796 20 10 DHCDMN CN(C)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000036989065 1032624509 /nfs/dbraw/zinc/62/45/09/1032624509.db2.gz BUNMNXBPIZFHGB-UHFFFAOYSA-N 0 1 312.200 3.772 20 10 DHCDMN COc1cc(C)cc(CN[C@H]2COc3ccc(Cl)cc32)c1O ZINC000894333911 1012838899 /nfs/dbraw/zinc/83/88/99/1012838899.db2.gz SREQMFLRZVQUJT-AWEZNQCLSA-N 0 1 319.788 3.586 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000320584984 1017188599 /nfs/dbraw/zinc/18/85/99/1017188599.db2.gz UETVWIXZCASIIZ-KUHUBIRLSA-N 0 1 307.393 3.930 20 10 DHCDMN COc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c(C)c1 ZINC000840909137 1017448165 /nfs/dbraw/zinc/44/81/65/1017448165.db2.gz PQWNTLJEOWSSPI-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857904727 1032708680 /nfs/dbraw/zinc/70/86/80/1032708680.db2.gz NVPFYWRTPYJKHH-INIZCTEOSA-N 0 1 315.848 3.887 20 10 DHCDMN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185528752 1017856635 /nfs/dbraw/zinc/85/66/35/1017856635.db2.gz HFSOWCLSQDHZDN-ZUZCIYMTSA-N 0 1 311.834 3.665 20 10 DHCDMN C[C@@H]1OCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@H]1C ZINC000765099788 1018474834 /nfs/dbraw/zinc/47/48/34/1018474834.db2.gz KEWGZLSTKRQTLS-STQMWFEESA-N 0 1 311.381 3.901 20 10 DHCDMN C[C@@H]1OCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])[C@H]1C ZINC000765099788 1018474839 /nfs/dbraw/zinc/47/48/39/1018474839.db2.gz KEWGZLSTKRQTLS-STQMWFEESA-N 0 1 311.381 3.901 20 10 DHCDMN CCOc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858099763 1032767041 /nfs/dbraw/zinc/76/70/41/1032767041.db2.gz XHRGLMSKQMWDSR-UHFFFAOYSA-N 0 1 320.383 3.719 20 10 DHCDMN C[C@@H](NCc1nc2c(s1)CCCC2)c1cc(F)ccc1O ZINC000926919354 1032768899 /nfs/dbraw/zinc/76/88/99/1032768899.db2.gz MYHNIMFFBSSGHP-SNVBAGLBSA-N 0 1 306.406 3.717 20 10 DHCDMN COc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccc1C ZINC000858113563 1032772580 /nfs/dbraw/zinc/77/25/80/1032772580.db2.gz UWURZZPIWVWZLZ-UHFFFAOYSA-N 0 1 320.383 3.638 20 10 DHCDMN [O-]c1cccc(F)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001137837414 1018650139 /nfs/dbraw/zinc/65/01/39/1018650139.db2.gz FZWVIXYAKHFKTC-MRXNPFEDSA-N 0 1 303.402 3.821 20 10 DHCDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837674 1018659934 /nfs/dbraw/zinc/65/99/34/1018659934.db2.gz QNBHXQSPLZRVMP-MRXNPFEDSA-N 0 1 301.361 3.877 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000278419323 1018677595 /nfs/dbraw/zinc/67/75/95/1018677595.db2.gz RFUQKYYKCKIENQ-VIFPVBQESA-N 0 1 323.742 3.829 20 10 DHCDMN Cc1cnc(Cl)c(CNCc2ccc(N(C)C)cc2C)c1 ZINC000921746144 1018749924 /nfs/dbraw/zinc/74/99/24/1018749924.db2.gz DLFJKNLZYOSHSH-UHFFFAOYSA-N 0 1 303.837 3.708 20 10 DHCDMN CC1(C)CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715702691 1018939515 /nfs/dbraw/zinc/93/95/15/1018939515.db2.gz MXNLBUPXLHTKIQ-UHFFFAOYSA-N 0 1 302.187 3.668 20 10 DHCDMN COc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858196416 1032801633 /nfs/dbraw/zinc/80/16/33/1032801633.db2.gz OOUXIGDTRCBZME-UHFFFAOYSA-N 0 1 320.383 3.638 20 10 DHCDMN C[C@@]1(CC[NH2+]Cc2c([O-])cccc2Br)CC1(F)F ZINC000858192500 1032796969 /nfs/dbraw/zinc/79/69/69/1032796969.db2.gz MNSAYMQYZOOJOW-GFCCVEGCSA-N 0 1 320.177 3.680 20 10 DHCDMN CCCn1c(CNCc2cc(C)ccc2O)nc2ccccc21 ZINC000858238273 1032811751 /nfs/dbraw/zinc/81/17/51/1032811751.db2.gz XRJGBIGOEQGTGV-UHFFFAOYSA-N 0 1 309.413 3.750 20 10 DHCDMN CCCn1cc(CNCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858292548 1032832670 /nfs/dbraw/zinc/83/26/70/1032832670.db2.gz AXCOEISPHFXOPP-UHFFFAOYSA-N 0 1 322.456 3.990 20 10 DHCDMN CN(Cc1ccc(F)cc1F)Cc1cc2c(cc1O)CCC2 ZINC000887558406 1032857934 /nfs/dbraw/zinc/85/79/34/1032857934.db2.gz PYSBLTVRLRUQSR-UHFFFAOYSA-N 0 1 303.352 3.791 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(C)cnc2Cl)c1 ZINC000922217986 1019896420 /nfs/dbraw/zinc/89/64/20/1019896420.db2.gz YVYBCBHYCVGSMB-NSHDSACASA-N 0 1 306.793 3.608 20 10 DHCDMN C[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715814265 1020172903 /nfs/dbraw/zinc/17/29/03/1020172903.db2.gz JZCLJWCLAIGMKJ-JTQLQIEISA-N 0 1 316.214 3.916 20 10 DHCDMN CN(C)c1ccc(CNCc2ccc3ccccc3n2)cc1F ZINC000733325433 1020371070 /nfs/dbraw/zinc/37/10/70/1020371070.db2.gz IBHMMEFJXWFJKR-UHFFFAOYSA-N 0 1 309.388 3.730 20 10 DHCDMN COc1ccc(CN2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001140822705 1021066412 /nfs/dbraw/zinc/06/64/12/1021066412.db2.gz FPJRHJGMIGUWMJ-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H](C)CO1 ZINC000917428764 1021264845 /nfs/dbraw/zinc/26/48/45/1021264845.db2.gz XKNSMJPPPRAJBV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@H](C)CO1 ZINC000917428764 1021264858 /nfs/dbraw/zinc/26/48/58/1021264858.db2.gz XKNSMJPPPRAJBV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@H](C)CO1 ZINC000917428764 1021264868 /nfs/dbraw/zinc/26/48/68/1021264868.db2.gz XKNSMJPPPRAJBV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)CO1 ZINC000743409061 1021290347 /nfs/dbraw/zinc/29/03/47/1021290347.db2.gz QYTFQLHUZICXEW-QRWLVFNGSA-N 0 1 323.436 3.843 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2c(C3CCC3)cnn2C)c(Cl)c1 ZINC000850393962 1021505284 /nfs/dbraw/zinc/50/52/84/1021505284.db2.gz SUMLGPLZERYRTN-UHFFFAOYSA-N 0 1 319.836 3.645 20 10 DHCDMN CC1(C)[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1(F)F ZINC000850393497 1021505886 /nfs/dbraw/zinc/50/58/86/1021505886.db2.gz CYJHOBQGWVBDJD-LLVKDONJSA-N 0 1 320.177 3.536 20 10 DHCDMN CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850394902 1021508380 /nfs/dbraw/zinc/50/83/80/1021508380.db2.gz HSBWWIWVEGKJLZ-ZWKOTPCHSA-N 0 1 319.832 3.893 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c(Cl)c1 ZINC000850412461 1021517533 /nfs/dbraw/zinc/51/75/33/1021517533.db2.gz YMMCKFIZNZABFU-FZKQIMNGSA-N 0 1 319.832 3.608 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695111602 1021522560 /nfs/dbraw/zinc/52/25/60/1021522560.db2.gz AJPPCCZNLIWBNI-LLVKDONJSA-N 0 1 320.177 3.822 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850488292 1021560550 /nfs/dbraw/zinc/56/05/50/1021560550.db2.gz MTERHSCQQIHGSR-UONOGXRCSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H](NCc1nccc(OC)c1F)c1cc(Cl)ccc1O ZINC000850538249 1021593437 /nfs/dbraw/zinc/59/34/37/1021593437.db2.gz XBBUYBBTKMPWPA-GFCCVEGCSA-N 0 1 324.783 3.829 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1[O-] ZINC000783004716 1021604255 /nfs/dbraw/zinc/60/42/55/1021604255.db2.gz CEIROKXZUIZROB-VIFPVBQESA-N 0 1 322.767 3.633 20 10 DHCDMN C[C@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850570416 1021612670 /nfs/dbraw/zinc/61/26/70/1021612670.db2.gz IIACFLZVDDMDCO-VIFPVBQESA-N 0 1 303.880 3.892 20 10 DHCDMN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850583244 1021622822 /nfs/dbraw/zinc/62/28/22/1021622822.db2.gz KCFUWMZWVGXIKJ-XWCIJXRUSA-N 0 1 305.805 3.818 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(F)n2)cc1 ZINC000851716454 1021970972 /nfs/dbraw/zinc/97/09/72/1021970972.db2.gz MTGKHWTWSDEMGG-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000919949020 1021974696 /nfs/dbraw/zinc/97/46/96/1021974696.db2.gz MXZJWSIRWHTTRC-SFHVURJKSA-N 0 1 311.381 3.704 20 10 DHCDMN CCCn1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)c1C ZINC000155190960 1022054037 /nfs/dbraw/zinc/05/40/37/1022054037.db2.gz WLCHYTVNSWBHSV-UHFFFAOYSA-N 0 1 314.477 3.608 20 10 DHCDMN COc1cc(CN(C)Cc2cc(C)ccc2F)c(O)cc1C ZINC000766629502 1022317800 /nfs/dbraw/zinc/31/78/00/1022317800.db2.gz CGFARBZGVQXENI-UHFFFAOYSA-N 0 1 303.377 3.789 20 10 DHCDMN C[C@H]([NH2+]CC1(N)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854222523 1022433999 /nfs/dbraw/zinc/43/39/99/1022433999.db2.gz HUXWUZSNKBVJTO-VIFPVBQESA-N 0 1 303.233 3.621 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CC3)C1)oc1ccccc12 ZINC000776772737 1022561535 /nfs/dbraw/zinc/56/15/35/1022561535.db2.gz PQHNYUVCADIRQT-HXUWFJFHSA-N 0 1 323.392 3.902 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CCO[C@@H](C3CC3)C1)oc1ccccc12 ZINC000776772737 1022561540 /nfs/dbraw/zinc/56/15/40/1022561540.db2.gz PQHNYUVCADIRQT-HXUWFJFHSA-N 0 1 323.392 3.902 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000775514410 1022637376 /nfs/dbraw/zinc/63/73/76/1022637376.db2.gz ZVQCKIXQOFRKHY-YPMHNXCESA-N 0 1 317.907 3.935 20 10 DHCDMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000763650300 1022680807 /nfs/dbraw/zinc/68/08/07/1022680807.db2.gz YOBLBNIKIDTMDK-NSHDSACASA-N 0 1 310.235 3.919 20 10 DHCDMN Oc1c(Cl)cc(F)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001237808693 1022886830 /nfs/dbraw/zinc/88/68/30/1022886830.db2.gz VYBPUFYFXYRRKY-LLVKDONJSA-N 0 1 311.706 3.754 20 10 DHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768159343 1022908459 /nfs/dbraw/zinc/90/84/59/1022908459.db2.gz APPWZZGPYFPNRC-UHFFFAOYSA-N 0 1 312.778 3.647 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc1F ZINC000768200674 1022913720 /nfs/dbraw/zinc/91/37/20/1022913720.db2.gz OIAJANLTRNBEHU-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc1F ZINC000768200674 1022913730 /nfs/dbraw/zinc/91/37/30/1022913730.db2.gz OIAJANLTRNBEHU-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN CC(C)[N@@H+](Cc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768250972 1022934431 /nfs/dbraw/zinc/93/44/31/1022934431.db2.gz YPHBXQDPNURWLY-UHFFFAOYSA-N 0 1 324.764 3.957 20 10 DHCDMN C[C@@H](C1CC1)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768532045 1022984075 /nfs/dbraw/zinc/98/40/75/1022984075.db2.gz HGGOUDCRKCBPSF-VIFPVBQESA-N 0 1 310.781 3.717 20 10 DHCDMN C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1O ZINC000192874023 1023062681 /nfs/dbraw/zinc/06/26/81/1023062681.db2.gz XGFYTGYXILHWNZ-INIZCTEOSA-N 0 1 310.441 3.707 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1OCCc2ccccc21 ZINC000769021458 1023070914 /nfs/dbraw/zinc/07/09/14/1023070914.db2.gz JTMAZRMKEYNHJN-GOSISDBHSA-N 0 1 317.816 3.791 20 10 DHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1OCCc2ccccc21 ZINC000769021458 1023070922 /nfs/dbraw/zinc/07/09/22/1023070922.db2.gz JTMAZRMKEYNHJN-GOSISDBHSA-N 0 1 317.816 3.791 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000769241049 1023106334 /nfs/dbraw/zinc/10/63/34/1023106334.db2.gz JMNPINRFVGXEAZ-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1ccc(N(C)C)cc1 ZINC000769311205 1023119782 /nfs/dbraw/zinc/11/97/82/1023119782.db2.gz ZQJZTBKKOYPINN-OXJNMPFZSA-N 0 1 310.441 3.715 20 10 DHCDMN Cc1cc(O)c(CNCc2nc3ccccc3n2C2CC2)cc1C ZINC000184785357 1023119912 /nfs/dbraw/zinc/11/99/12/1023119912.db2.gz VPDLNQWGFHDVOP-UHFFFAOYSA-N 0 1 321.424 3.983 20 10 DHCDMN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([O-])cs1 ZINC000769366494 1023132249 /nfs/dbraw/zinc/13/22/49/1023132249.db2.gz UCRGZPJZVMRPNA-UHFFFAOYSA-N 0 1 316.426 3.610 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000769390559 1023139682 /nfs/dbraw/zinc/13/96/82/1023139682.db2.gz YXYBJDZXSKXZIK-LLVKDONJSA-N 0 1 322.202 3.737 20 10 DHCDMN C[C@H]1[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451810 1023155948 /nfs/dbraw/zinc/15/59/48/1023155948.db2.gz OHBLEJLGSYDMRN-MRXNPFEDSA-N 0 1 302.462 3.676 20 10 DHCDMN C[C@H]1N(Cc2ccc(N3CCCCC3)cc2)CCOC1(C)C ZINC000769451810 1023155953 /nfs/dbraw/zinc/15/59/53/1023155953.db2.gz OHBLEJLGSYDMRN-MRXNPFEDSA-N 0 1 302.462 3.676 20 10 DHCDMN CCOc1ccc(CN2CC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000769506227 1023168722 /nfs/dbraw/zinc/16/87/22/1023168722.db2.gz DULVUTFZXIGUTJ-QGZVFWFLSA-N 0 1 301.361 3.877 20 10 DHCDMN CCOc1cccc(CN2CC[C@H]2c2cccc(F)c2)c1O ZINC000769508682 1023170938 /nfs/dbraw/zinc/17/09/38/1023170938.db2.gz UPABIXVUNGQLCT-INIZCTEOSA-N 0 1 301.361 3.877 20 10 DHCDMN O=[N+]([O-])c1cc(CN2CCCCC2)ccc1N1CCCCC1 ZINC000770393623 1023303752 /nfs/dbraw/zinc/30/37/52/1023303752.db2.gz DQTIAMPXMQEEDG-UHFFFAOYSA-N 0 1 303.406 3.571 20 10 DHCDMN Cc1ccc2c(c1C)OC[C@H]2NCc1c(O)cccc1Cl ZINC000770429805 1023310459 /nfs/dbraw/zinc/31/04/59/1023310459.db2.gz NVQGJCRFDFYVAJ-OAHLLOKOSA-N 0 1 303.789 3.886 20 10 DHCDMN Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000770429805 1023310468 /nfs/dbraw/zinc/31/04/68/1023310468.db2.gz NVQGJCRFDFYVAJ-OAHLLOKOSA-N 0 1 303.789 3.886 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC2(c3ccccn3)CCC2)cc1Cl ZINC000825893231 1033125337 /nfs/dbraw/zinc/12/53/37/1033125337.db2.gz SLIAUSZBKVRWCJ-UHFFFAOYSA-N 0 1 316.832 3.961 20 10 DHCDMN CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000825893159 1033126356 /nfs/dbraw/zinc/12/63/56/1033126356.db2.gz QKPDBVRNKYCCQI-UHFFFAOYSA-N 0 1 309.837 3.745 20 10 DHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000825893159 1033126362 /nfs/dbraw/zinc/12/63/62/1033126362.db2.gz QKPDBVRNKYCCQI-UHFFFAOYSA-N 0 1 309.837 3.745 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2cccs2)c1[O-] ZINC000093269266 1023592294 /nfs/dbraw/zinc/59/22/94/1023592294.db2.gz SSARZLNCKSANDF-UHFFFAOYSA-N 0 1 323.845 3.984 20 10 DHCDMN CC[C@]1(C)CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000785985307 1023648666 /nfs/dbraw/zinc/64/86/66/1023648666.db2.gz UZVRDZWZTBZWLG-LJQANCHMSA-N 0 1 302.462 3.678 20 10 DHCDMN Cc1nc(F)ccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787087269 1023755664 /nfs/dbraw/zinc/75/56/64/1023755664.db2.gz OOKKBUJSXZZGGM-UHFFFAOYSA-N 0 1 313.420 3.760 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(F)cn2)cc1 ZINC000787151586 1023764558 /nfs/dbraw/zinc/76/45/58/1023764558.db2.gz IEDBUAVKOUCZSI-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1F ZINC000788584101 1023909052 /nfs/dbraw/zinc/90/90/52/1023909052.db2.gz MWXARQCDCDRNPU-AWEZNQCLSA-N 0 1 319.811 3.717 20 10 DHCDMN COc1c2ccccc2oc1CNCc1ccc(N(C)C)cc1 ZINC000788969775 1023955593 /nfs/dbraw/zinc/95/55/93/1023955593.db2.gz NNWUHBCWMJMQET-UHFFFAOYSA-N 0 1 310.397 3.797 20 10 DHCDMN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185424663 1024030649 /nfs/dbraw/zinc/03/06/49/1024030649.db2.gz KYOUFTUULQZABY-UGSOOPFHSA-N 0 1 301.430 3.993 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000789762984 1024159368 /nfs/dbraw/zinc/15/93/68/1024159368.db2.gz CTTLNKKVWCZCEK-UHFFFAOYSA-N 0 1 303.830 3.902 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000789769839 1024162025 /nfs/dbraw/zinc/16/20/25/1024162025.db2.gz RIOZCFYPUTZVKZ-ZDUSSCGKSA-N 0 1 324.207 3.623 20 10 DHCDMN Cc1ccn2cc(CN[C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000268929000 1024198824 /nfs/dbraw/zinc/19/88/24/1024198824.db2.gz SHMGIIQSJJNNIA-HNNXBMFYSA-N 0 1 308.429 3.560 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000270113830 1024352537 /nfs/dbraw/zinc/35/25/37/1024352537.db2.gz NKLSYNADNVLEJK-FIKIJFGZSA-N 0 1 323.845 3.634 20 10 DHCDMN CCN1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000131563930 1024391731 /nfs/dbraw/zinc/39/17/31/1024391731.db2.gz VGWMBDFMIKLDHK-UHFFFAOYSA-N 0 1 317.260 3.615 20 10 DHCDMN CCOc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2F)c(O)c1 ZINC000883382686 1024416323 /nfs/dbraw/zinc/41/63/23/1024416323.db2.gz LIFHBOAPCFODTQ-HKUYNNGSSA-N 0 1 315.388 3.906 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC000132595718 1024489212 /nfs/dbraw/zinc/48/92/12/1024489212.db2.gz YITQYANTAATLPT-LBPRGKRZSA-N 0 1 304.217 3.700 20 10 DHCDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000317310857 1024521068 /nfs/dbraw/zinc/52/10/68/1024521068.db2.gz VAOKUYQVELAORJ-ZDUSSCGKSA-N 0 1 303.377 3.603 20 10 DHCDMN COc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000271663060 1024557694 /nfs/dbraw/zinc/55/76/94/1024557694.db2.gz LNMWZIVQQFHKPP-LLVKDONJSA-N 0 1 317.360 3.593 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC(C)(C)O1 ZINC000133101506 1024572742 /nfs/dbraw/zinc/57/27/42/1024572742.db2.gz UDENXPKHAWUHCW-SECBINFHSA-N 0 1 304.217 3.698 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC(C)(C)O1 ZINC000133101506 1024572750 /nfs/dbraw/zinc/57/27/50/1024572750.db2.gz UDENXPKHAWUHCW-SECBINFHSA-N 0 1 304.217 3.698 20 10 DHCDMN CCCN(Cc1nccn1-c1ccccc1)Cc1ccccc1O ZINC000792165222 1024641541 /nfs/dbraw/zinc/64/15/41/1024641541.db2.gz NEKXRWAERKETQG-UHFFFAOYSA-N 0 1 321.424 3.990 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1c1ccccc1 ZINC000792168906 1024641639 /nfs/dbraw/zinc/64/16/39/1024641639.db2.gz GSTUPSBHFDVVIM-HNNXBMFYSA-N 0 1 321.779 3.758 20 10 DHCDMN Cc1csc(C2(NCc3ccc4c(c3)CCO4)CCCC2)n1 ZINC000112711152 1024782290 /nfs/dbraw/zinc/78/22/90/1024782290.db2.gz DDNJRPFBLIAAME-UHFFFAOYSA-N 0 1 314.454 3.946 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccco2)c(C(F)(F)F)c1 ZINC000792777249 1024795435 /nfs/dbraw/zinc/79/54/35/1024795435.db2.gz MSGUFWDYIZEDAN-UHFFFAOYSA-N 0 1 312.335 3.996 20 10 DHCDMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000793590299 1025117403 /nfs/dbraw/zinc/11/74/03/1025117403.db2.gz ONEWUCCMVXCKRO-AWEZNQCLSA-N 0 1 312.461 3.691 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc1Cl ZINC000825944092 1033267847 /nfs/dbraw/zinc/26/78/47/1033267847.db2.gz PTUGXVYXMKRPPP-DIFFPNOSSA-N 0 1 303.789 3.966 20 10 DHCDMN COc1ccc(N(Cc2n[nH]c(C(C)C)n2)[C@H](C)C2CC2)cc1 ZINC000794411040 1025259473 /nfs/dbraw/zinc/25/94/73/1025259473.db2.gz JFXMXCMRXXOXIE-CYBMUJFWSA-N 0 1 314.433 3.742 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)cc1[O-] ZINC000279902778 1025310969 /nfs/dbraw/zinc/31/09/69/1025310969.db2.gz HERCZYIAQROITL-UWVGGRQHSA-N 0 1 316.264 3.558 20 10 DHCDMN C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000886774847 1025892754 /nfs/dbraw/zinc/89/27/54/1025892754.db2.gz WSIMFKUSURUFQP-CXAGYDPISA-N 0 1 307.409 3.921 20 10 DHCDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1O ZINC000841746331 1026033346 /nfs/dbraw/zinc/03/33/46/1026033346.db2.gz DQGWVDIHGJBHIB-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(Cl)c[nH]1 ZINC000807835543 1026129043 /nfs/dbraw/zinc/12/90/43/1026129043.db2.gz GTKCKLFLZFPHHY-UHFFFAOYSA-N 0 1 319.575 3.611 20 10 DHCDMN COc1cc(CN2CC3(CC3(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826535548 1026107604 /nfs/dbraw/zinc/10/76/04/1026107604.db2.gz ZPJBXTJNWHQOKT-UHFFFAOYSA-N 0 1 311.372 3.539 20 10 DHCDMN O=C(CCC1CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836180 1026128372 /nfs/dbraw/zinc/12/83/72/1026128372.db2.gz QLJAYARSANDOQM-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN CC(Cl)(Cl)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838114 1026131810 /nfs/dbraw/zinc/13/18/10/1026131810.db2.gz ITYHWOVMKXQQGQ-UHFFFAOYSA-N 0 1 316.999 3.509 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@H](c3ccsc3)C2)cc1C ZINC000122123866 1026172196 /nfs/dbraw/zinc/17/21/96/1026172196.db2.gz ZSPRRPJCYMICQE-KRWDZBQOSA-N 0 1 303.427 3.644 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)NCc2ccn(C(C)C)n2)c1O ZINC000808697529 1026372677 /nfs/dbraw/zinc/37/26/77/1026372677.db2.gz MHHSMFOIBZQHAG-GFCCVEGCSA-N 0 1 307.825 3.982 20 10 DHCDMN C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1[O-] ZINC000808729356 1026382146 /nfs/dbraw/zinc/38/21/46/1026382146.db2.gz ZAUZJIWPGUBFLR-IINYFYTJSA-N 0 1 321.779 3.839 20 10 DHCDMN C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cc(Cl)ccc1[O-] ZINC000808729355 1026382779 /nfs/dbraw/zinc/38/27/79/1026382779.db2.gz ZAUZJIWPGUBFLR-HZMBPMFUSA-N 0 1 321.779 3.839 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809768330 1026605651 /nfs/dbraw/zinc/60/56/51/1026605651.db2.gz IBUVXYGSICOUKM-CQSZACIVSA-N 0 1 323.799 3.862 20 10 DHCDMN CC[C@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211369 1026707691 /nfs/dbraw/zinc/70/76/91/1026707691.db2.gz QDEJNSSEIXFBAO-ZDUSSCGKSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213520 1026707881 /nfs/dbraw/zinc/70/78/81/1026707881.db2.gz UQOUUKVQEWXOJR-GXTWGEPZSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@H]([NH2+]CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217498 1026709662 /nfs/dbraw/zinc/70/96/62/1026709662.db2.gz FOEKNHUVIKZVJQ-ZDUSSCGKSA-N 0 1 317.351 3.757 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220339 1026711866 /nfs/dbraw/zinc/71/18/66/1026711866.db2.gz VQDWSQSHKQGMCB-SUNKGSAMSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238645 1026725115 /nfs/dbraw/zinc/72/51/15/1026725115.db2.gz RPWMJYWFDXGTBB-CYBMUJFWSA-N 0 1 305.340 3.614 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238386 1026725570 /nfs/dbraw/zinc/72/55/70/1026725570.db2.gz ZUNLZJVVAXONPS-BXUZGUMPSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238646 1026725698 /nfs/dbraw/zinc/72/56/98/1026725698.db2.gz RPWMJYWFDXGTBB-ZDUSSCGKSA-N 0 1 305.340 3.614 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238768 1026726113 /nfs/dbraw/zinc/72/61/13/1026726113.db2.gz MSCOHUPWMKBBFJ-YUTCNCBUSA-N 0 1 317.351 3.611 20 10 DHCDMN CC[C@@H](NCc1csc(COC)n1)c1ccc(C)cc1O ZINC000810252438 1026729507 /nfs/dbraw/zinc/72/95/07/1026729507.db2.gz DNAWEYYLYAIQEX-CQSZACIVSA-N 0 1 306.431 3.544 20 10 DHCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC(C)(C)C1 ZINC000811510993 1027027573 /nfs/dbraw/zinc/02/75/73/1027027573.db2.gz BRNXCYNMPDSFDC-NSHDSACASA-N 0 1 315.816 3.964 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000271709471 1027124360 /nfs/dbraw/zinc/12/43/60/1027124360.db2.gz AJIZVFSIMDINNQ-INIZCTEOSA-N 0 1 303.789 3.619 20 10 DHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CCO)c1ccccc1 ZINC000271805659 1027149170 /nfs/dbraw/zinc/14/91/70/1027149170.db2.gz LNKNWJXYHZUABU-MRXNPFEDSA-N 0 1 305.805 3.601 20 10 DHCDMN CC[C@](C)(NCc1cc(C)cc(OC)c1O)c1nccs1 ZINC000894281225 1027528057 /nfs/dbraw/zinc/52/80/57/1027528057.db2.gz SHYWIDMFVMVCCP-INIZCTEOSA-N 0 1 306.431 3.581 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877924 1027748001 /nfs/dbraw/zinc/74/80/01/1027748001.db2.gz HLSVTFHMEXZZMH-MFKMUULPSA-N 0 1 319.276 3.937 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000779025232 1027911306 /nfs/dbraw/zinc/91/13/06/1027911306.db2.gz DZAPVPPETADSQZ-USXIJHARSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000779025232 1027911335 /nfs/dbraw/zinc/91/13/35/1027911335.db2.gz DZAPVPPETADSQZ-USXIJHARSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000779025232 1027911348 /nfs/dbraw/zinc/91/13/48/1027911348.db2.gz DZAPVPPETADSQZ-USXIJHARSA-N 0 1 307.409 3.557 20 10 DHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814179356 1027918959 /nfs/dbraw/zinc/91/89/59/1027918959.db2.gz SDOBKKPTHYBZGF-SNVBAGLBSA-N 0 1 303.830 3.760 20 10 DHCDMN C[C@]12CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]1C2(F)F ZINC000814170298 1027923876 /nfs/dbraw/zinc/92/38/76/1027923876.db2.gz UTZVINIUPMIAML-YPMHNXCESA-N 0 1 305.727 3.662 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cncs2)c1[O-] ZINC000934197685 1027924859 /nfs/dbraw/zinc/92/48/59/1027924859.db2.gz FPNOPWVPFOCWMX-MRVPVSSYSA-N 0 1 310.806 3.556 20 10 DHCDMN COc1cc(C)cc(CN2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000814230447 1027966338 /nfs/dbraw/zinc/96/63/38/1027966338.db2.gz QSDKLKFIYVOWFK-GOSISDBHSA-N 0 1 312.413 3.687 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000528002717 1028029469 /nfs/dbraw/zinc/02/94/69/1028029469.db2.gz QLFYBCASHQUNPC-WFASDCNBSA-N 0 1 308.853 3.713 20 10 DHCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H]1OCCc2sccc21 ZINC000366475034 1028083428 /nfs/dbraw/zinc/08/34/28/1028083428.db2.gz OYYCCEHOUNOSQG-QFYYESIMSA-N 0 1 323.845 3.899 20 10 DHCDMN Cc1cc(C=C2CCN(Cc3cc(F)ccc3O)CC2)no1 ZINC000368017336 1028274714 /nfs/dbraw/zinc/27/47/14/1028274714.db2.gz JSMREYKDUBCHRO-UHFFFAOYSA-N 0 1 302.349 3.507 20 10 DHCDMN [O-]c1ccc(F)cc1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000779106054 1028283500 /nfs/dbraw/zinc/28/35/00/1028283500.db2.gz FOCZNOKHLGKJCA-UHFFFAOYSA-N 0 1 303.352 3.783 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(F)nc2)cc1 ZINC000779147620 1028430878 /nfs/dbraw/zinc/43/08/78/1028430878.db2.gz HBJYHRKKMQPYGF-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000779154985 1028452667 /nfs/dbraw/zinc/45/26/67/1028452667.db2.gz XTOMSLCVOLIROJ-YGRLFVJLSA-N 0 1 318.244 3.682 20 10 DHCDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1ccon1 ZINC000815585185 1028556063 /nfs/dbraw/zinc/55/60/63/1028556063.db2.gz ALFBGROFMKCHDO-GOSISDBHSA-N 0 1 308.381 3.844 20 10 DHCDMN Cc1cc(O)c(CNCc2ncoc2-c2ccccc2)cc1C ZINC000370557605 1028618098 /nfs/dbraw/zinc/61/80/98/1028618098.db2.gz LDAXHFNSVULJEZ-UHFFFAOYSA-N 0 1 308.381 3.954 20 10 DHCDMN CC[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336764 1028840976 /nfs/dbraw/zinc/84/09/76/1028840976.db2.gz JNXBPSBBSNEQSF-ZIAGYGMSSA-N 0 1 305.324 3.845 20 10 DHCDMN CC[C@H](c1ccccc1O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000372597054 1028876150 /nfs/dbraw/zinc/87/61/50/1028876150.db2.gz WOBCUEVFFHHXHI-ZBFHGGJFSA-N 0 1 318.442 3.682 20 10 DHCDMN COCc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816530957 1028922407 /nfs/dbraw/zinc/92/24/07/1028922407.db2.gz AYLWAZDDOWJSSK-UHFFFAOYSA-N 0 1 307.393 3.982 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816530523 1028924824 /nfs/dbraw/zinc/92/48/24/1028924824.db2.gz LEADINRXNHWMOM-UHFFFAOYSA-N 0 1 321.376 3.606 20 10 DHCDMN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548439 1028928653 /nfs/dbraw/zinc/92/86/53/1028928653.db2.gz HTOPYOQQJLLWDM-AWEZNQCLSA-N 0 1 307.393 3.972 20 10 DHCDMN CCc1nc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cs1 ZINC000816545587 1028928836 /nfs/dbraw/zinc/92/88/36/1028928836.db2.gz XCSOQDKUKFLHBX-UHFFFAOYSA-N 0 1 312.438 3.897 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000816593681 1028952198 /nfs/dbraw/zinc/95/21/98/1028952198.db2.gz AFQNBYANCSWGOJ-UHFFFAOYSA-N 0 1 303.830 3.902 20 10 DHCDMN Oc1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc2ccccc21 ZINC000816666939 1028982551 /nfs/dbraw/zinc/98/25/51/1028982551.db2.gz YKYZDAGNNXTWQE-WOJBJXKFSA-N 0 1 309.409 3.689 20 10 DHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(F)F ZINC000816682169 1028989107 /nfs/dbraw/zinc/98/91/07/1028989107.db2.gz QQOZVIATWZGHDM-ZCFIWIBFSA-N 0 1 312.143 3.607 20 10 DHCDMN COc1ccc(CNCc2c(C)c3ccccc3n2C)c(F)c1 ZINC000568034565 1028994455 /nfs/dbraw/zinc/99/44/55/1028994455.db2.gz XTCHGVAIBALZMX-UHFFFAOYSA-N 0 1 312.388 3.924 20 10 DHCDMN CCCOc1ccc(CN[C@H]2COc3cccc(F)c32)c(O)c1 ZINC000373285188 1028996100 /nfs/dbraw/zinc/99/61/00/1028996100.db2.gz OLTMGBVRQGOSHF-HNNXBMFYSA-N 0 1 317.360 3.543 20 10 DHCDMN C[N@@H+](Cc1ccccc1O)C1CCN(c2ccc(F)cc2)CC1 ZINC000374283979 1029272805 /nfs/dbraw/zinc/27/28/05/1029272805.db2.gz NPSTXNPRGPFGPL-UHFFFAOYSA-N 0 1 314.404 3.632 20 10 DHCDMN CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1[O-] ZINC000817958730 1029298074 /nfs/dbraw/zinc/29/80/74/1029298074.db2.gz XQGAYRIGPXPJIB-MRXNPFEDSA-N 0 1 304.821 3.911 20 10 DHCDMN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000290268228 1029973750 /nfs/dbraw/zinc/97/37/50/1029973750.db2.gz XQDZFALMAVUSSN-HOTGVXAUSA-N 0 1 311.425 3.652 20 10 DHCDMN CCN(Cc1cncn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000822438650 1030022206 /nfs/dbraw/zinc/02/22/06/1030022206.db2.gz MERLWBLMMYWNBH-UHFFFAOYSA-N 0 1 300.450 3.552 20 10 DHCDMN Cc1cc(Br)cc(CN2CC(CC(F)F)C2)c1O ZINC000822520807 1030041360 /nfs/dbraw/zinc/04/13/60/1030041360.db2.gz PNJFXPQRFKCWDO-UHFFFAOYSA-N 0 1 320.177 3.550 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCO2 ZINC000924649354 1030149845 /nfs/dbraw/zinc/14/98/45/1030149845.db2.gz QMXUMDZLSAKEMG-HNNXBMFYSA-N 0 1 324.424 3.866 20 10 DHCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc2ccccc2c1[O-] ZINC000866445088 1030297193 /nfs/dbraw/zinc/29/71/93/1030297193.db2.gz NAKIEQRZXDTCTE-IVKIPVDISA-N 0 1 309.409 3.619 20 10 DHCDMN C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866482669 1030318620 /nfs/dbraw/zinc/31/86/20/1030318620.db2.gz ZYBFHXKJQSEHJZ-CXAGYDPISA-N 0 1 307.409 3.921 20 10 DHCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636109 1030596635 /nfs/dbraw/zinc/59/66/35/1030596635.db2.gz LVXGCQAUGUCLAG-HKUYNNGSSA-N 0 1 311.425 3.652 20 10 DHCDMN C[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc2O1 ZINC000824651351 1030599760 /nfs/dbraw/zinc/59/97/60/1030599760.db2.gz YFZMIGPXPMKPPU-CXAGYDPISA-N 0 1 314.404 3.894 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697032 1030602584 /nfs/dbraw/zinc/60/25/84/1030602584.db2.gz YANNKMKNHXJYID-ZMSDIMECSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824697032 1030602599 /nfs/dbraw/zinc/60/25/99/1030602599.db2.gz YANNKMKNHXJYID-ZMSDIMECSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893092 1030661005 /nfs/dbraw/zinc/66/10/05/1030661005.db2.gz KBAVRHMIBQCXFN-ZBFHGGJFSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893092 1030661016 /nfs/dbraw/zinc/66/10/16/1030661016.db2.gz KBAVRHMIBQCXFN-ZBFHGGJFSA-N 0 1 321.848 3.827 20 10 DHCDMN COc1cccc(CN2CC(c3cccc(Cl)c3)C2)c1O ZINC000824987815 1030695146 /nfs/dbraw/zinc/69/51/46/1030695146.db2.gz BJMSVGZQSJWLNX-UHFFFAOYSA-N 0 1 303.789 3.654 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc([C@@H](C)O)cc2)cc1Cl ZINC000825138797 1030734598 /nfs/dbraw/zinc/73/45/98/1030734598.db2.gz XIWPBWJXJDZRHP-GFCCVEGCSA-N 0 1 305.805 3.697 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1Cl ZINC000825167874 1030739225 /nfs/dbraw/zinc/73/92/25/1030739225.db2.gz RUKPAAMOGPPQHL-UHFFFAOYSA-N 0 1 322.811 3.849 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000248689822 1030760279 /nfs/dbraw/zinc/76/02/79/1030760279.db2.gz ANEFTEXOMBKMCO-XOPPTJLZSA-N 0 1 307.821 3.654 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3c2cccc3O)cc1Cl ZINC000825253662 1030762900 /nfs/dbraw/zinc/76/29/00/1030762900.db2.gz JJPQUNZTTQCHAY-OAHLLOKOSA-N 0 1 303.789 3.837 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c2c1c(F)ccc2[O-] ZINC000927070421 1031070285 /nfs/dbraw/zinc/07/02/85/1031070285.db2.gz RGVQNEYJZAEIAP-YVOWVQIISA-N 0 1 319.420 3.874 20 10 DHCDMN CCc1onc(C)c1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000927139352 1031114846 /nfs/dbraw/zinc/11/48/46/1031114846.db2.gz KTZSYRPNZUFGAH-CYBMUJFWSA-N 0 1 301.434 3.852 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc(O)ccc1F ZINC000872021922 1031406464 /nfs/dbraw/zinc/40/64/64/1031406464.db2.gz GFFSKPZBSYSYQI-AWEZNQCLSA-N 0 1 314.404 3.982 20 10 DHCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144300215 1031431046 /nfs/dbraw/zinc/43/10/46/1031431046.db2.gz XNHWKHBQSKHKJJ-SNVBAGLBSA-N 0 1 302.187 3.668 20 10 DHCDMN CC(C)[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC1 ZINC001144300042 1031439158 /nfs/dbraw/zinc/43/91/58/1031439158.db2.gz PKLRJKRJXRHCNK-UHFFFAOYSA-N 0 1 316.214 3.914 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1cc(Cl)ccc1[O-] ZINC000872135515 1031530496 /nfs/dbraw/zinc/53/04/96/1031530496.db2.gz WWCDDLHACFUFDL-SMDDNHRTSA-N 0 1 305.809 3.946 20 10 DHCDMN Cc1csc(C(C)(C)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000293834504 1031646108 /nfs/dbraw/zinc/64/61/08/1031646108.db2.gz PZWFSPZVAJZTLO-UHFFFAOYSA-N 0 1 303.475 3.851 20 10 DHCDMN CC[C@H]1CO[C@@](C)(CCC(C)C)N1Cc1c(O)cc(O)cc1O ZINC001144514857 1031672071 /nfs/dbraw/zinc/67/20/71/1031672071.db2.gz VDDYMVKKLDOSKN-UGSOOPFHSA-N 0 1 323.433 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000846057298 1031816022 /nfs/dbraw/zinc/81/60/22/1031816022.db2.gz GLNKDCGDMUWTJK-CQSZACIVSA-N 0 1 324.833 3.643 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(C2CC2)CC1 ZINC000897768974 1031819564 /nfs/dbraw/zinc/81/95/64/1031819564.db2.gz KUPGOYIJHRGHPL-UHFFFAOYSA-N 0 1 300.185 3.505 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C(F)(F)F)cc1[O-] ZINC000846043425 1031839157 /nfs/dbraw/zinc/83/91/57/1031839157.db2.gz BAAHETPMSATFQS-ZRQNBYAXSA-N 0 1 315.335 3.772 20 10 DHCDMN CCc1nc([C@H](C)N[C@H](C)c2cccc(OC)c2O)cs1 ZINC000846148151 1031883091 /nfs/dbraw/zinc/88/30/91/1031883091.db2.gz XRUMQTDCKXXQMY-MNOVXSKESA-N 0 1 306.431 3.832 20 10 DHCDMN COc1cccc([C@@H](C)NCc2nc(C3CC3)cs2)c1O ZINC000846152445 1031885012 /nfs/dbraw/zinc/88/50/12/1031885012.db2.gz AZVTVXNPMZWFQC-SNVBAGLBSA-N 0 1 304.415 3.586 20 10 DHCDMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142527511 1031911504 /nfs/dbraw/zinc/91/15/04/1031911504.db2.gz XKWMBDZIFALVLG-LLVKDONJSA-N 0 1 307.340 3.872 20 10 DHCDMN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000846184068 1031917246 /nfs/dbraw/zinc/91/72/46/1031917246.db2.gz QICVOLVLOBVQTI-WVQJBOLRSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189335 1031924027 /nfs/dbraw/zinc/92/40/27/1031924027.db2.gz SXLRXVSOJLRONA-GTNSWQLSSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877563011 1033359098 /nfs/dbraw/zinc/35/90/98/1033359098.db2.gz FAVAEYYTZAOKPC-WCBMZHEXSA-N 0 1 309.278 3.833 20 10 DHCDMN C[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877824117 1033473586 /nfs/dbraw/zinc/47/35/86/1033473586.db2.gz OVVLNYMMSORTJT-ZANVPECISA-N 0 1 323.742 3.587 20 10 DHCDMN CC[N@@H+](Cc1ccccc1O)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234022 1033608811 /nfs/dbraw/zinc/60/88/11/1033608811.db2.gz OCLRTZQFWAQTSA-CQSZACIVSA-N 0 1 314.385 3.754 20 10 DHCDMN Oc1cccc(Br)c1CN1CCC[C@H]1c1ccc[nH]1 ZINC000862211139 1033781844 /nfs/dbraw/zinc/78/18/44/1033781844.db2.gz CRRDUMMDOPAEQJ-AWEZNQCLSA-N 0 1 321.218 3.820 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000862211139 1033781868 /nfs/dbraw/zinc/78/18/68/1033781868.db2.gz CRRDUMMDOPAEQJ-AWEZNQCLSA-N 0 1 321.218 3.820 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000862211139 1033781881 /nfs/dbraw/zinc/78/18/81/1033781881.db2.gz CRRDUMMDOPAEQJ-AWEZNQCLSA-N 0 1 321.218 3.820 20 10 DHCDMN CN(C)c1cc(F)c(CN2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000862473131 1033863896 /nfs/dbraw/zinc/86/38/96/1033863896.db2.gz FODDLDAMYGQOMC-OLZOCXBDSA-N 0 1 312.429 3.501 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2CCN2C2CCCC2)ccc2ccccc21 ZINC000862522902 1033871544 /nfs/dbraw/zinc/87/15/44/1033871544.db2.gz LCWHBFALEWGAMI-GOSISDBHSA-N 0 1 310.441 3.652 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC(OC3CCC3)CC2)cc1Cl ZINC000826131560 1034156459 /nfs/dbraw/zinc/15/64/59/1034156459.db2.gz WRLAQRXJIYVKGA-UHFFFAOYSA-N 0 1 309.837 3.888 20 10 DHCDMN Cc1cccc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)cn21 ZINC000178057532 1034204091 /nfs/dbraw/zinc/20/40/91/1034204091.db2.gz QRFZZTDETWAQFD-OAHLLOKOSA-N 0 1 308.429 3.560 20 10 DHCDMN CC(C)C(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864019386 1034257426 /nfs/dbraw/zinc/25/74/26/1034257426.db2.gz FCYZNSPDILQFDF-UHFFFAOYSA-N 0 1 320.339 3.877 20 10 DHCDMN COc1cc(O)c(CN(C)[C@@H](C)c2ccccc2F)cc1OC ZINC000179677343 1034325753 /nfs/dbraw/zinc/32/57/53/1034325753.db2.gz RJWPLUZCUAELLJ-LBPRGKRZSA-N 0 1 319.376 3.742 20 10 DHCDMN C[C@H](c1cnccn1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184412189 1034473693 /nfs/dbraw/zinc/47/36/93/1034473693.db2.gz JTILBKMPDVFCIX-MRXNPFEDSA-N 0 1 310.445 3.660 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1cccnc1 ZINC000184882901 1034506988 /nfs/dbraw/zinc/50/69/88/1034506988.db2.gz ZLIJPWWNMNLUGQ-MNOVXSKESA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000184894697 1034509819 /nfs/dbraw/zinc/50/98/19/1034509819.db2.gz HZPGAMYXSFBEHX-LBPRGKRZSA-N 0 1 304.821 3.962 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000184944278 1034514588 /nfs/dbraw/zinc/51/45/88/1034514588.db2.gz ODVIQVPHGKWQOL-HWPZZCPQSA-N 0 1 309.768 3.569 20 10 DHCDMN COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1OC ZINC000185076753 1034527095 /nfs/dbraw/zinc/52/70/95/1034527095.db2.gz YAESBHBPOAXHMG-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN COCCCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185233334 1034536278 /nfs/dbraw/zinc/53/62/78/1034536278.db2.gz QLTYAKFRLDXBBB-LLVKDONJSA-N 0 1 316.239 3.622 20 10 DHCDMN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185501176 1034552267 /nfs/dbraw/zinc/55/22/67/1034552267.db2.gz KIAAKSXOPVQQNN-ZJUUUORDSA-N 0 1 308.809 3.932 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](C)c2cc(C)ccc2O)o1 ZINC000185547970 1034556310 /nfs/dbraw/zinc/55/63/10/1034556310.db2.gz LJHYWBPNTZDNML-BBRMVZONSA-N 0 1 303.402 3.894 20 10 DHCDMN C[C@@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185739040 1034569567 /nfs/dbraw/zinc/56/95/67/1034569567.db2.gz ZFFVSBSMLMTRBH-YCPHGPKFSA-N 0 1 317.404 3.737 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc2ccccc2c1[O-] ZINC000186179388 1034607453 /nfs/dbraw/zinc/60/74/53/1034607453.db2.gz ORUGIDBFAMPRRH-AWEZNQCLSA-N 0 1 321.424 3.857 20 10 DHCDMN CC[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccccc1O ZINC000186807522 1034664247 /nfs/dbraw/zinc/66/42/47/1034664247.db2.gz VNCZGBSXCMAGTC-MRXNPFEDSA-N 0 1 318.417 3.936 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c(Cl)c1 ZINC001177278134 1035363088 /nfs/dbraw/zinc/36/30/88/1035363088.db2.gz RZUAPJAGRCYLCF-KBPBESRZSA-N 0 1 310.869 3.707 20 10 DHCDMN CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775555550 1035521245 /nfs/dbraw/zinc/52/12/45/1035521245.db2.gz ZXXXRNCKCHKZES-UONOGXRCSA-N 0 1 309.793 3.803 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1 ZINC001180120240 1035605100 /nfs/dbraw/zinc/60/51/00/1035605100.db2.gz GJCDRICTQRVITL-NRFANRHFSA-N 0 1 324.468 3.943 20 10 DHCDMN Cc1ccccc1OCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775647434 1036180052 /nfs/dbraw/zinc/18/00/52/1036180052.db2.gz VMLLKOKQPUPTHI-UHFFFAOYSA-N 0 1 305.805 3.865 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CCC2)c1[O-] ZINC001195825261 1036360417 /nfs/dbraw/zinc/36/04/17/1036360417.db2.gz FERBSCJUMGNIAD-KRWDZBQOSA-N 0 1 305.393 3.889 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000775726025 1036562738 /nfs/dbraw/zinc/56/27/38/1036562738.db2.gz PFQLQGIERHTCIM-MRXNPFEDSA-N 0 1 321.779 3.758 20 10 DHCDMN C[N@@H+](CCOCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775736916 1036587055 /nfs/dbraw/zinc/58/70/55/1036587055.db2.gz GGSVAIUTFJAISP-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203573765 1036641565 /nfs/dbraw/zinc/64/15/65/1036641565.db2.gz GYSUOYBJCYBXQH-MEBBXXQBSA-N 0 1 318.244 3.682 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001183909599 1036704760 /nfs/dbraw/zinc/70/47/60/1036704760.db2.gz OZYICMVHLQCCNH-HOTGVXAUSA-N 0 1 314.816 3.509 20 10 DHCDMN CC[C@H]([NH2+]CC[C@@H](C)OC)c1cc(Br)ccc1[O-] ZINC000311096358 1036894360 /nfs/dbraw/zinc/89/43/60/1036894360.db2.gz SGHATIXTWZCLAS-MFKMUULPSA-N 0 1 316.239 3.620 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cc2c(nn1)CCC2 ZINC000762656183 1036901341 /nfs/dbraw/zinc/90/13/41/1036901341.db2.gz GRDBXHDROBZUHY-UHFFFAOYSA-N 0 1 310.184 3.590 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299516 1036963743 /nfs/dbraw/zinc/96/37/43/1036963743.db2.gz VLZCXJNUJRKRGO-VIFPVBQESA-N 0 1 302.187 3.526 20 10 DHCDMN COc1c(C)cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834113 1036996521 /nfs/dbraw/zinc/99/65/21/1036996521.db2.gz PPLDFAHYMBOLLZ-HNNXBMFYSA-N 0 1 313.445 3.624 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774863513 1037131686 /nfs/dbraw/zinc/13/16/86/1037131686.db2.gz OEYKXMZNVWQFHC-CYBMUJFWSA-N 0 1 322.405 3.710 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774886892 1037168187 /nfs/dbraw/zinc/16/81/87/1037168187.db2.gz XZHYYLVVNCKWEG-ZDUSSCGKSA-N 0 1 322.405 3.567 20 10 DHCDMN CCC[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774906290 1037199296 /nfs/dbraw/zinc/19/92/96/1037199296.db2.gz WZRHRWGDWKSFIB-QGZVFWFLSA-N 0 1 322.405 3.711 20 10 DHCDMN CC[C@]1(C)COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775982012 1037280257 /nfs/dbraw/zinc/28/02/57/1037280257.db2.gz XHMOYFRNSWPGPB-LJQANCHMSA-N 0 1 302.462 3.678 20 10 DHCDMN CCCCN1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001199784740 1037336680 /nfs/dbraw/zinc/33/66/80/1037336680.db2.gz VAJAMAMHKMTJQB-UHFFFAOYSA-N 0 1 314.832 3.539 20 10 DHCDMN Cc1nc(C2(NCc3cccc(Cl)c3O)CCCCC2)no1 ZINC000776158611 1037620812 /nfs/dbraw/zinc/62/08/12/1037620812.db2.gz UYHJCGYUAVHQOI-UHFFFAOYSA-N 0 1 321.808 3.686 20 10 DHCDMN Cc1nc(C2([NH2+]Cc3cccc(Cl)c3[O-])CCCCC2)no1 ZINC000776158611 1037620820 /nfs/dbraw/zinc/62/08/20/1037620820.db2.gz UYHJCGYUAVHQOI-UHFFFAOYSA-N 0 1 321.808 3.686 20 10 DHCDMN CCOc1ccc(CN(C)Cc2cc(C)ccc2F)c(O)c1 ZINC000775168211 1037915486 /nfs/dbraw/zinc/91/54/86/1037915486.db2.gz NKNRFTFWWSFAOU-UHFFFAOYSA-N 0 1 303.377 3.870 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ncccc2C(F)(F)F)cc1 ZINC000156469633 1038122640 /nfs/dbraw/zinc/12/26/40/1038122640.db2.gz YQGQKFTXZBMWGE-UHFFFAOYSA-N 0 1 323.362 3.798 20 10 DHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCOC3(CCCC3)C2)c1 ZINC000164520639 1038204684 /nfs/dbraw/zinc/20/46/84/1038204684.db2.gz ZHYPZSPZZHLVNF-UHFFFAOYSA-N 0 1 319.445 3.540 20 10 DHCDMN Cc1nsc(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001190444768 1038311275 /nfs/dbraw/zinc/31/12/75/1038311275.db2.gz CFWFYGYSKNSQNX-UHFFFAOYSA-N 0 1 315.486 3.991 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775489714 1038564051 /nfs/dbraw/zinc/56/40/51/1038564051.db2.gz QRGDYGBGNZXMDH-WBVHZDCISA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775506772 1038597591 /nfs/dbraw/zinc/59/75/91/1038597591.db2.gz DFXJWVWTYSFIRQ-SJLPKXTDSA-N 0 1 319.832 3.994 20 10 DHCDMN CC[C@@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775511698 1038604619 /nfs/dbraw/zinc/60/46/19/1038604619.db2.gz HTZNHRMXNIFOQI-OAHLLOKOSA-N 0 1 319.836 3.984 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775524379 1038642594 /nfs/dbraw/zinc/64/25/94/1038642594.db2.gz OPXLMTOGXPHARU-HOTGVXAUSA-N 0 1 323.795 3.959 20 10 DHCDMN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000231751364 1040393606 /nfs/dbraw/zinc/39/36/06/1040393606.db2.gz SNQGYCLKLSOERI-SSDOTTSWSA-N 0 1 312.129 3.585 20 10 DHCDMN CCc1ccc([C@H](COC)NCc2cc(C)c(C)cc2O)o1 ZINC000174480934 1040646675 /nfs/dbraw/zinc/64/66/75/1040646675.db2.gz RFQLESJGSWXVEG-INIZCTEOSA-N 0 1 303.402 3.642 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCc2ccccc2C1 ZINC000005948408 181299939 /nfs/dbraw/zinc/29/99/39/181299939.db2.gz VQFOJOXBZUOTDZ-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527020 130132342 /nfs/dbraw/zinc/13/23/42/130132342.db2.gz VMXMTMKTHLTGMW-CHWSQXEVSA-N 0 1 302.422 3.662 20 10 DHCDMN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(C)c1)CCO2 ZINC000274277086 130224091 /nfs/dbraw/zinc/22/40/91/130224091.db2.gz TWZNKKGDROMYSY-KRWDZBQOSA-N 0 1 313.397 3.626 20 10 DHCDMN C[C@@H](NCc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000274663926 130253326 /nfs/dbraw/zinc/25/33/26/130253326.db2.gz WULMVLXQLKWQJK-MRVPVSSYSA-N 0 1 302.321 3.718 20 10 DHCDMN Cc1ccc(O)c([C@H](C)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000284365017 131074133 /nfs/dbraw/zinc/07/41/33/131074133.db2.gz NHLLAHFFADRIDT-INIZCTEOSA-N 0 1 321.424 3.796 20 10 DHCDMN Cc1noc(C)c1C(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000285490877 131173050 /nfs/dbraw/zinc/17/30/50/131173050.db2.gz MHPDYAUYCPWBCX-UHFFFAOYSA-N 0 1 305.397 3.521 20 10 DHCDMN CCc1nc(C)c(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000291683384 333113965 /nfs/dbraw/zinc/11/39/65/333113965.db2.gz HYSRZGUUFCKCII-UHFFFAOYSA-N 0 1 301.434 3.681 20 10 DHCDMN COc1ccc(O)c(CNc2ccc(CN(C)C)c(Cl)c2)c1 ZINC000280200956 334115330 /nfs/dbraw/zinc/11/53/30/334115330.db2.gz HYWBWLHCPHKIKQ-UHFFFAOYSA-N 0 1 320.820 3.728 20 10 DHCDMN C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000289802839 334167985 /nfs/dbraw/zinc/16/79/85/334167985.db2.gz OBJVPGBMXVRDOW-CQSZACIVSA-N 0 1 321.424 3.857 20 10 DHCDMN Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000376042177 337025861 /nfs/dbraw/zinc/02/58/61/337025861.db2.gz CGCJIOBAXBXEIC-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN COc1cccc(CN2CCSC[C@H]2c2cccs2)c1O ZINC000377251314 337049475 /nfs/dbraw/zinc/04/94/75/337049475.db2.gz PXTPPXHJJBQZSF-ZDUSSCGKSA-N 0 1 321.467 3.752 20 10 DHCDMN c1[nH]nc2c1CCC[C@@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000378164322 337067524 /nfs/dbraw/zinc/06/75/24/337067524.db2.gz NLWGIRZNNPRQLF-SFHVURJKSA-N 0 1 310.445 3.567 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112781 337253748 /nfs/dbraw/zinc/25/37/48/337253748.db2.gz AXIJDUCEJDYCCC-GJZGRUSLSA-N 0 1 322.412 3.693 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186440843 337256251 /nfs/dbraw/zinc/25/62/51/337256251.db2.gz USSHVTQFBGEGRH-SFHVURJKSA-N 0 1 315.800 3.677 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2C)c1[O-] ZINC000181563573 518287598 /nfs/dbraw/zinc/28/75/98/518287598.db2.gz HPUGNTYGPKIKDK-GFCCVEGCSA-N 0 1 301.361 3.893 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000160299470 520285690 /nfs/dbraw/zinc/28/56/90/520285690.db2.gz SWUREKRNWGYFDK-MRXNPFEDSA-N 0 1 322.456 3.950 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000229564766 522697442 /nfs/dbraw/zinc/69/74/42/522697442.db2.gz WFXLDRIPPAJPIK-ZANVPECISA-N 0 1 324.222 3.680 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Br)ccc1[O-] ZINC000229564760 522915136 /nfs/dbraw/zinc/91/51/36/522915136.db2.gz WFXLDRIPPAJPIK-TVQRCGJNSA-N 0 1 324.222 3.680 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@@H](CC)c2ccccc2O)o1 ZINC000156014214 524051288 /nfs/dbraw/zinc/05/12/88/524051288.db2.gz ABXHBMIVYCPLFL-HOTGVXAUSA-N 0 1 303.402 3.976 20 10 DHCDMN Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000364886439 524394067 /nfs/dbraw/zinc/39/40/67/524394067.db2.gz SENNNQSPRWJZPD-IBGZPJMESA-N 0 1 323.440 3.570 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000190178983 526354635 /nfs/dbraw/zinc/35/46/35/526354635.db2.gz YJLNFWNBMXGSMC-FQEVSTJZSA-N 0 1 311.425 3.936 20 10 DHCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1O ZINC000829497238 601626492 /nfs/dbraw/zinc/62/64/92/601626492.db2.gz ZUUZJLNFWPFPDY-UHFFFAOYSA-N 0 1 317.360 3.642 20 10 DHCDMN CCn1ccnc1[C@H]1CCCCN1Cc1cc(F)cc(F)c1O ZINC000894645181 1013440340 /nfs/dbraw/zinc/44/03/40/1013440340.db2.gz OOFZRJHNDOUCSZ-OAHLLOKOSA-N 0 1 321.371 3.614 20 10 DHCDMN CC1(C)CN(Cc2cc(F)cc(F)c2O)[C@H]1c1ccncc1 ZINC000894856577 1013547016 /nfs/dbraw/zinc/54/70/16/1013547016.db2.gz YPEAOYBFOQDIJO-INIZCTEOSA-N 0 1 304.340 3.649 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@H](C)C1 ZINC000715714121 1018952205 /nfs/dbraw/zinc/95/22/05/1018952205.db2.gz VQUKDHIZYCEVRX-NXEZZACHSA-N 0 1 316.214 3.914 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Br)ccc1[O-] ZINC000810257994 1026730562 /nfs/dbraw/zinc/73/05/62/1026730562.db2.gz XTXSCODHXKHDBW-GBIKHYSHSA-N 0 1 316.239 3.619 20 10 DHCDMN Cc1ccc(C[N@H+](Cc2cc(F)cc(F)c2[O-])CC2CC2)cn1 ZINC000895079268 1014324019 /nfs/dbraw/zinc/32/40/19/1014324019.db2.gz WMQRNLMMHWYQMY-UHFFFAOYSA-N 0 1 318.367 3.786 20 10 DHCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1O ZINC001595363235 980779773 /nfs/dbraw/zinc/77/97/73/980779773.db2.gz YXCGHPNILOIBHL-QGZVFWFLSA-N 0 1 313.397 3.739 20 10 DHCDMN CCCC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C1CC1 ZINC001595749207 982421575 /nfs/dbraw/zinc/42/15/75/982421575.db2.gz PQFRLXBNSHPFOF-UHFFFAOYSA-N 0 1 318.392 3.780 20 10 DHCDMN Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000891398997 1014850777 /nfs/dbraw/zinc/85/07/77/1014850777.db2.gz HLZHOMQXYVSHGG-UHFFFAOYSA-N 0 1 314.477 3.779 20 10 DHCDMN Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000891398997 1014850785 /nfs/dbraw/zinc/85/07/85/1014850785.db2.gz HLZHOMQXYVSHGG-UHFFFAOYSA-N 0 1 314.477 3.779 20 10 DHCDMN CCC[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1ccccc1O ZINC001595890788 982922096 /nfs/dbraw/zinc/92/20/96/982922096.db2.gz DYCOJXWRUKXXRV-UHFFFAOYSA-N 0 1 305.399 3.564 20 10 DHCDMN COc1ccc(CNc2nccc(C)c2C2CC2)c(O)c1OC ZINC000895347113 1015078128 /nfs/dbraw/zinc/07/81/28/1015078128.db2.gz DAUUZQQDJSTGPX-UHFFFAOYSA-N 0 1 314.385 3.602 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000707157312 1015133948 /nfs/dbraw/zinc/13/39/48/1015133948.db2.gz MWBWEKAXCWLRBS-QMMMGPOBSA-N 0 1 324.140 3.539 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000707157312 1015133951 /nfs/dbraw/zinc/13/39/51/1015133951.db2.gz MWBWEKAXCWLRBS-QMMMGPOBSA-N 0 1 324.140 3.539 20 10 DHCDMN Oc1cccc(Br)c1CN1CC[C@H](C(F)(F)F)C1 ZINC000707157312 1015133954 /nfs/dbraw/zinc/13/39/54/1015133954.db2.gz MWBWEKAXCWLRBS-QMMMGPOBSA-N 0 1 324.140 3.539 20 10 DHCDMN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000896422914 1015582832 /nfs/dbraw/zinc/58/28/32/1015582832.db2.gz NBBWOCCSJXTMCR-UKRRQHHQSA-N 0 1 307.752 3.607 20 10 DHCDMN CN(Cc1cnc(-c2ccccn2)s1)Cc1ccccc1O ZINC000091974745 1015741136 /nfs/dbraw/zinc/74/11/36/1015741136.db2.gz PVDMAFNEBIMAQV-UHFFFAOYSA-N 0 1 311.410 3.543 20 10 DHCDMN CN(C)c1ccc(CNCc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000280944990 1015812553 /nfs/dbraw/zinc/81/25/53/1015812553.db2.gz RCINKIFXLWIZSH-UHFFFAOYSA-N 0 1 324.346 3.767 20 10 DHCDMN Oc1ccccc1CN(Cc1nccn1C1CC1)C1CCCC1 ZINC000892013712 1016108427 /nfs/dbraw/zinc/10/84/27/1016108427.db2.gz VZIZROHZWCNIRD-UHFFFAOYSA-N 0 1 311.429 3.868 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897082528 1017035446 /nfs/dbraw/zinc/03/54/46/1017035446.db2.gz UCPMPEXMORYCEU-SUMWQHHRSA-N 0 1 309.837 3.649 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000773002771 1032520421 /nfs/dbraw/zinc/52/04/21/1032520421.db2.gz YVUWDEWNTHBOLS-CQSZACIVSA-N 0 1 313.401 3.820 20 10 DHCDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ncn1 ZINC000773106010 1032560322 /nfs/dbraw/zinc/56/03/22/1032560322.db2.gz JGUIWFKPXJBARC-MRXNPFEDSA-N 0 1 310.445 3.626 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000036982026 1032623695 /nfs/dbraw/zinc/62/36/95/1032623695.db2.gz KTFMHWMITYGSEK-SNVBAGLBSA-N 0 1 305.761 3.625 20 10 DHCDMN Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000897298609 1017341281 /nfs/dbraw/zinc/34/12/81/1017341281.db2.gz DDSWBFMMJPOPLZ-LBPRGKRZSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840950605 1017533764 /nfs/dbraw/zinc/53/37/64/1017533764.db2.gz LWJYAMJMOBFAMR-ZDUSSCGKSA-N 0 1 309.837 3.793 20 10 DHCDMN CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701061513 1017996974 /nfs/dbraw/zinc/99/69/74/1017996974.db2.gz YSVXDIANKAFKOW-VXGBXAGGSA-N 0 1 316.264 3.528 20 10 DHCDMN CC(C)(C)SCC[NH2+]Cc1c([O-])cccc1Br ZINC000706809773 1018763083 /nfs/dbraw/zinc/76/30/83/1018763083.db2.gz MYABNGHEJIXJJA-UHFFFAOYSA-N 0 1 318.280 3.776 20 10 DHCDMN C[C@@H](CCc1ccco1)[NH2+]Cc1c([O-])cccc1Br ZINC000706843755 1018769329 /nfs/dbraw/zinc/76/93/29/1018769329.db2.gz XHTIYMCNAMITOG-NSHDSACASA-N 0 1 324.218 3.859 20 10 DHCDMN CCSC1(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706844471 1018769864 /nfs/dbraw/zinc/76/98/64/1018769864.db2.gz OUYJZTXZUVNDDW-UHFFFAOYSA-N 0 1 316.264 3.530 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000858161858 1032786353 /nfs/dbraw/zinc/78/63/53/1032786353.db2.gz ZCXJSRFECDFAKR-SECBINFHSA-N 0 1 320.177 3.680 20 10 DHCDMN COCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921973801 1019245770 /nfs/dbraw/zinc/24/57/70/1019245770.db2.gz KYXVARODCNNNGS-KRWDZBQOSA-N 0 1 315.413 3.780 20 10 DHCDMN Cc1cc(CNCc2ccc(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000858292694 1032833429 /nfs/dbraw/zinc/83/34/29/1032833429.db2.gz DCXWCYJNKYTVBI-UHFFFAOYSA-N 0 1 320.440 3.791 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2scnc21 ZINC000858363922 1032862949 /nfs/dbraw/zinc/86/29/49/1032862949.db2.gz AUMRHRCYUFMOJJ-HNNXBMFYSA-N 0 1 301.459 3.685 20 10 DHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCCO1 ZINC000730256023 1019968448 /nfs/dbraw/zinc/96/84/48/1019968448.db2.gz QRYCSLXZYOWERJ-MRXNPFEDSA-N 0 1 314.429 3.722 20 10 DHCDMN CCC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCCCO1 ZINC000730256023 1019968456 /nfs/dbraw/zinc/96/84/56/1019968456.db2.gz QRYCSLXZYOWERJ-MRXNPFEDSA-N 0 1 314.429 3.722 20 10 DHCDMN CC(C)c1nnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000731847757 1020157702 /nfs/dbraw/zinc/15/77/02/1020157702.db2.gz NPBZJYIKFMFRLR-UHFFFAOYSA-N 0 1 315.417 3.843 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCc2ccccc21 ZINC000733324013 1020368417 /nfs/dbraw/zinc/36/84/17/1020368417.db2.gz DHYWXHGVYMZYKA-CYBMUJFWSA-N 0 1 316.832 3.586 20 10 DHCDMN CN(C)c1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1F ZINC000733325990 1020371740 /nfs/dbraw/zinc/37/17/40/1020371740.db2.gz BZZSKVJFJWDLKK-UHFFFAOYSA-N 0 1 308.784 3.541 20 10 DHCDMN CN(C)c1ccc(CNCc2nc(-c3ccncc3)cs2)cc1 ZINC000733331718 1020377224 /nfs/dbraw/zinc/37/72/24/1020377224.db2.gz QSBRJQJTQWTHBK-UHFFFAOYSA-N 0 1 324.453 3.561 20 10 DHCDMN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])o1 ZINC000756408118 1020447553 /nfs/dbraw/zinc/44/75/53/1020447553.db2.gz KBMFSUXPDNKHCE-NSHDSACASA-N 0 1 324.218 3.949 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000766030577 1020493366 /nfs/dbraw/zinc/49/33/66/1020493366.db2.gz UHWHQXLEQHUZMI-QGZVFWFLSA-N 0 1 316.832 3.938 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cccc2cccnc21 ZINC000378887598 1020521481 /nfs/dbraw/zinc/52/14/81/1020521481.db2.gz NAAFMLNBLRLQCD-UHFFFAOYSA-N 0 1 312.800 3.926 20 10 DHCDMN CCN(Cc1ccc(O)c(C)c1O)Cc1cccc(F)c1F ZINC001140747652 1020596880 /nfs/dbraw/zinc/59/68/80/1020596880.db2.gz HSYSNCFFIMYWEO-UHFFFAOYSA-N 0 1 307.340 3.707 20 10 DHCDMN CCOc1ccc(CNC(C)(C)c2nc(C)cs2)c(O)c1 ZINC000734849287 1020670043 /nfs/dbraw/zinc/67/00/43/1020670043.db2.gz AENZKMDRESKCMW-UHFFFAOYSA-N 0 1 306.431 3.581 20 10 DHCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCCC2 ZINC000742390658 1021111296 /nfs/dbraw/zinc/11/12/96/1021111296.db2.gz KZKZCCZEOHHSDT-JKSUJKDBSA-N 0 1 309.837 3.873 20 10 DHCDMN COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000742377033 1021114677 /nfs/dbraw/zinc/11/46/77/1021114677.db2.gz LUWUZENLRRXUOD-OAHLLOKOSA-N 0 1 319.788 3.668 20 10 DHCDMN COc1ccc(CN[C@@H](C)c2c(F)cccc2F)c(O)c1OC ZINC000892633722 1021130655 /nfs/dbraw/zinc/13/06/55/1021130655.db2.gz XERCVYHWTNCOBJ-JTQLQIEISA-N 0 1 323.339 3.538 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1[O-] ZINC000181596072 1021268597 /nfs/dbraw/zinc/26/85/97/1021268597.db2.gz OXWJJSYWLSRLRZ-SECBINFHSA-N 0 1 323.314 3.863 20 10 DHCDMN CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000181596072 1021268608 /nfs/dbraw/zinc/26/86/08/1021268608.db2.gz OXWJJSYWLSRLRZ-SECBINFHSA-N 0 1 323.314 3.863 20 10 DHCDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000069628659 1021275868 /nfs/dbraw/zinc/27/58/68/1021275868.db2.gz BENWVKLCHSWNGF-SWLSCSKDSA-N 0 1 302.393 3.898 20 10 DHCDMN Oc1ccc2ccncc2c1CN1CCOC[C@@H]1c1ccccc1 ZINC000743402691 1021284205 /nfs/dbraw/zinc/28/42/05/1021284205.db2.gz MIFWJIMBUMZHCX-LJQANCHMSA-N 0 1 320.392 3.514 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850515486 1021572336 /nfs/dbraw/zinc/57/23/36/1021572336.db2.gz LOQLAXAAQGLZNB-GXFFZTMASA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000850525136 1021576497 /nfs/dbraw/zinc/57/64/97/1021576497.db2.gz GVKLUSMOWZXULJ-UDTVLSCZSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000850525134 1021578311 /nfs/dbraw/zinc/57/83/11/1021578311.db2.gz GVKLUSMOWZXULJ-QXKQMHMISA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850526433 1021579846 /nfs/dbraw/zinc/57/98/46/1021579846.db2.gz CCGGTSSVOKTVQQ-FGDXXIHYSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850526436 1021580203 /nfs/dbraw/zinc/58/02/03/1021580203.db2.gz CCGGTSSVOKTVQQ-UDTVLSCZSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@H]([NH2+]CCC(C)(C)F)c1ccc(Br)cc1[O-] ZINC000850530940 1021585292 /nfs/dbraw/zinc/58/52/92/1021585292.db2.gz FHWJUORATCMBFD-VIFPVBQESA-N 0 1 304.203 3.944 20 10 DHCDMN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850572500 1021614361 /nfs/dbraw/zinc/61/43/61/1021614361.db2.gz KUGMCZUMHSPECB-VBHSOAQHSA-N 0 1 319.832 3.861 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000850573091 1021615870 /nfs/dbraw/zinc/61/58/70/1021615870.db2.gz JFJUWLOJOCZFQG-LXIYXOSZSA-N 0 1 319.832 3.861 20 10 DHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(F)n1 ZINC000851717317 1021971276 /nfs/dbraw/zinc/97/12/76/1021971276.db2.gz WPFZHDLKSMQOMV-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN CN(Cc1ccccc1O)Cc1cccc(F)c1OC(F)F ZINC000851840887 1022020174 /nfs/dbraw/zinc/02/01/74/1022020174.db2.gz KWCJUCNQHPTCBS-UHFFFAOYSA-N 0 1 311.303 3.765 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000746406000 1022067677 /nfs/dbraw/zinc/06/76/77/1022067677.db2.gz VCWHREQVXNXFLF-UHFFFAOYSA-N 0 1 318.829 3.988 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586618 1022296066 /nfs/dbraw/zinc/29/60/66/1022296066.db2.gz VCNLZHICIVBWCP-ZFWWWQNUSA-N 0 1 323.392 3.760 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586618 1022296073 /nfs/dbraw/zinc/29/60/73/1022296073.db2.gz VCNLZHICIVBWCP-ZFWWWQNUSA-N 0 1 323.392 3.760 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC2(CC2)C1 ZINC000854474000 1022478119 /nfs/dbraw/zinc/47/81/19/1022478119.db2.gz IDGLIVVGLZJDGQ-UHFFFAOYSA-N 0 1 300.185 3.505 20 10 DHCDMN CCc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000180183094 1022654494 /nfs/dbraw/zinc/65/44/94/1022654494.db2.gz AGZAIHNIAWRLRG-UHFFFAOYSA-N 0 1 313.445 3.633 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000767729319 1022788727 /nfs/dbraw/zinc/78/87/27/1022788727.db2.gz TZMPXHQESXKPIZ-UHFFFAOYSA-N 0 1 302.805 3.609 20 10 DHCDMN C[N@@H+](Cc1cccc(F)c1)Cc1cccc(Br)c1[O-] ZINC000768161328 1022906269 /nfs/dbraw/zinc/90/62/69/1022906269.db2.gz YCYRVDNXZGOBLG-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(COC)o2)cc1 ZINC000768207855 1022915925 /nfs/dbraw/zinc/91/59/25/1022915925.db2.gz KAKGECLEPVEWEF-UHFFFAOYSA-N 0 1 316.445 3.904 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1F ZINC000768263813 1022935713 /nfs/dbraw/zinc/93/57/13/1022935713.db2.gz WESOGRPWDGLXJK-UHFFFAOYSA-N 0 1 308.347 3.802 20 10 DHCDMN COc1cc(CNC2(c3nccs3)CCCC2)c(O)cc1C ZINC000768466247 1022972216 /nfs/dbraw/zinc/97/22/16/1022972216.db2.gz WOIBQGNHKWKIDF-UHFFFAOYSA-N 0 1 318.442 3.725 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000769241048 1023105546 /nfs/dbraw/zinc/10/55/46/1023105546.db2.gz JMNPINRFVGXEAZ-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769390305 1023139299 /nfs/dbraw/zinc/13/92/99/1023139299.db2.gz UOGNKVQMGAQEMW-GFCCVEGCSA-N 0 1 305.805 3.814 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769390305 1023139301 /nfs/dbraw/zinc/13/93/01/1023139301.db2.gz UOGNKVQMGAQEMW-GFCCVEGCSA-N 0 1 305.805 3.814 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000769388801 1023140074 /nfs/dbraw/zinc/14/00/74/1023140074.db2.gz HVBDZSRJDSXZLQ-LLVKDONJSA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000769388801 1023140080 /nfs/dbraw/zinc/14/00/80/1023140080.db2.gz HVBDZSRJDSXZLQ-LLVKDONJSA-N 0 1 322.202 3.737 20 10 DHCDMN CC1(C)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769447244 1023154440 /nfs/dbraw/zinc/15/44/40/1023154440.db2.gz XPNZFJLDCKTOJR-UHFFFAOYSA-N 0 1 303.406 3.569 20 10 DHCDMN CCc1nc(C)c([C@H](C)N(C)Cc2c(O)cccc2OC)s1 ZINC000769471976 1023162975 /nfs/dbraw/zinc/16/29/75/1023162975.db2.gz ZOFOKPIBBBGYFK-LBPRGKRZSA-N 0 1 320.458 3.921 20 10 DHCDMN CN(C)c1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1F ZINC000769538082 1023176181 /nfs/dbraw/zinc/17/61/81/1023176181.db2.gz RGGFTNWLOGNVJF-LJQANCHMSA-N 0 1 315.436 3.957 20 10 DHCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756626340 1023234588 /nfs/dbraw/zinc/23/45/88/1023234588.db2.gz NUKUPKBRBQNBPS-IIAWOOMASA-N 0 1 301.430 3.993 20 10 DHCDMN Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000770746179 1023347764 /nfs/dbraw/zinc/34/77/64/1023347764.db2.gz LHNOHGGZCPILLY-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000691488958 1023423619 /nfs/dbraw/zinc/42/36/19/1023423619.db2.gz PBZNWWRISJYITH-UHFFFAOYSA-N 0 1 320.177 3.822 20 10 DHCDMN Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876795598 1033144394 /nfs/dbraw/zinc/14/43/94/1033144394.db2.gz ROEFLMMHCZHDEU-RCDICMHDSA-N 0 1 317.454 3.631 20 10 DHCDMN C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788499927 1023894764 /nfs/dbraw/zinc/89/47/64/1023894764.db2.gz XCZWVPPRYDBSON-NSHDSACASA-N 0 1 318.383 3.649 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000788606071 1023912932 /nfs/dbraw/zinc/91/29/32/1023912932.db2.gz VBSMVQYXBGYTGR-JSGCOSHPSA-N 0 1 319.420 3.612 20 10 DHCDMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000789586903 1024120811 /nfs/dbraw/zinc/12/08/11/1024120811.db2.gz SUOPGQFRAZFVDR-MRXNPFEDSA-N 0 1 319.832 3.735 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000756852103 1024176056 /nfs/dbraw/zinc/17/60/56/1024176056.db2.gz XNWDSYNVTLMLFR-WPRPVWTQSA-N 0 1 320.177 3.993 20 10 DHCDMN Cc1ccn2cc(CN[C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000268929004 1024199476 /nfs/dbraw/zinc/19/94/76/1024199476.db2.gz SHMGIIQSJJNNIA-OAHLLOKOSA-N 0 1 308.429 3.560 20 10 DHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790416246 1024298281 /nfs/dbraw/zinc/29/82/81/1024298281.db2.gz OSCKWQUITHEBMF-INIZCTEOSA-N 0 1 321.461 3.642 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883383036 1024415900 /nfs/dbraw/zinc/41/59/00/1024415900.db2.gz RSHUWMYFPQDVIF-PKOBYXMFSA-N 0 1 315.388 3.906 20 10 DHCDMN C[NH+](C)CCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790983766 1024425365 /nfs/dbraw/zinc/42/53/65/1024425365.db2.gz PXGWWBOXYBSKRF-UHFFFAOYSA-N 0 1 322.811 3.901 20 10 DHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC(C)(C)O1 ZINC000133101694 1024571867 /nfs/dbraw/zinc/57/18/67/1024571867.db2.gz UDENXPKHAWUHCW-VIFPVBQESA-N 0 1 304.217 3.698 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC(C)(C)O1 ZINC000133101694 1024571871 /nfs/dbraw/zinc/57/18/71/1024571871.db2.gz UDENXPKHAWUHCW-VIFPVBQESA-N 0 1 304.217 3.698 20 10 DHCDMN Cc1ccc(CNCc2c(F)cccc2OC(F)F)c(O)c1 ZINC000877067407 1033225811 /nfs/dbraw/zinc/22/58/11/1033225811.db2.gz DFIHIHNHAYAOOI-UHFFFAOYSA-N 0 1 311.303 3.731 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000792173382 1024640471 /nfs/dbraw/zinc/64/04/71/1024640471.db2.gz FGDMEUBIOROKGI-CYBMUJFWSA-N 0 1 320.795 3.644 20 10 DHCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](CC)C(=O)OCC ZINC000792189144 1024645683 /nfs/dbraw/zinc/64/56/83/1024645683.db2.gz QRXKUYQATKUELI-AWEZNQCLSA-N 0 1 313.825 3.599 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793232253 1024950041 /nfs/dbraw/zinc/95/00/41/1024950041.db2.gz VCQLPZHHYAVSQO-VXNVDRBHSA-N 0 1 311.706 3.957 20 10 DHCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2cnc(C)cn2)cc1 ZINC000794257967 1025242613 /nfs/dbraw/zinc/24/26/13/1025242613.db2.gz PKBGEYCKDBISJA-INIZCTEOSA-N 0 1 312.461 3.824 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135821345 1025287037 /nfs/dbraw/zinc/28/70/37/1025287037.db2.gz CSNBQRUUIOBHKJ-JTQLQIEISA-N 0 1 315.866 3.822 20 10 DHCDMN CCCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804871700 1025498891 /nfs/dbraw/zinc/49/88/91/1025498891.db2.gz RGAARNZNWDHHIU-UHFFFAOYSA-N 0 1 305.205 3.688 20 10 DHCDMN CC(C)C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805225881 1025553264 /nfs/dbraw/zinc/55/32/64/1025553264.db2.gz NZOFUCVLAHYYIG-SECBINFHSA-N 0 1 319.232 3.933 20 10 DHCDMN C[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805320438 1025573466 /nfs/dbraw/zinc/57/34/66/1025573466.db2.gz IZAGPYIZTGQKNK-GZMMTYOYSA-N 0 1 317.216 3.687 20 10 DHCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCOC2(CCC2)C1 ZINC000886342820 1025596917 /nfs/dbraw/zinc/59/69/17/1025596917.db2.gz KIRNUDLPFLYPFQ-INIZCTEOSA-N 0 1 309.837 3.875 20 10 DHCDMN C[C@H](NCc1cc(C2CC2)no1)c1cc2c(cc1O)CCCC2 ZINC000886684254 1025785666 /nfs/dbraw/zinc/78/56/66/1025785666.db2.gz IIHFHGSZMVTOCE-LBPRGKRZSA-N 0 1 312.413 3.987 20 10 DHCDMN C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000886774848 1025895608 /nfs/dbraw/zinc/89/56/08/1025895608.db2.gz WSIMFKUSURUFQP-DYVFJYSZSA-N 0 1 307.409 3.921 20 10 DHCDMN O=C(C[C@H]1C=CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807838351 1026130841 /nfs/dbraw/zinc/13/08/41/1026130841.db2.gz PNVKRGIUNFOBQH-VIFPVBQESA-N 0 1 300.185 3.672 20 10 DHCDMN O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808090189 1026201412 /nfs/dbraw/zinc/20/14/12/1026201412.db2.gz SMNTVEGDYYICQS-UHFFFAOYSA-N 0 1 314.128 3.614 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808726393 1026370503 /nfs/dbraw/zinc/37/05/03/1026370503.db2.gz ANSCRZZLULXYNT-NEPJUHHUSA-N 0 1 303.789 3.872 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808726395 1026371397 /nfs/dbraw/zinc/37/13/97/1026371397.db2.gz ANSCRZZLULXYNT-RYUDHWBXSA-N 0 1 303.789 3.872 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)c1[O-] ZINC000808701413 1026375408 /nfs/dbraw/zinc/37/54/08/1026375408.db2.gz XEXFWSIJZDMKIE-XGWLTEMNSA-N 0 1 311.853 3.946 20 10 DHCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700477 1026588075 /nfs/dbraw/zinc/58/80/75/1026588075.db2.gz HJLOGJGLSBXILM-FZMZJTMJSA-N 0 1 315.816 3.700 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758641 1026618270 /nfs/dbraw/zinc/61/82/70/1026618270.db2.gz SBVIQPCGXQSESQ-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758641 1026618272 /nfs/dbraw/zinc/61/82/72/1026618272.db2.gz SBVIQPCGXQSESQ-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000809763036 1026620263 /nfs/dbraw/zinc/62/02/63/1026620263.db2.gz HZTTYEDJRXJBGV-UHFFFAOYSA-N 0 1 306.768 3.744 20 10 DHCDMN COc1cccc(CNc2ccc(CN(C)C)c(Cl)c2)c1O ZINC000280273994 1026627878 /nfs/dbraw/zinc/62/78/78/1026627878.db2.gz MWEGJNTXHHSXLI-UHFFFAOYSA-N 0 1 320.820 3.728 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217594 1026709089 /nfs/dbraw/zinc/70/90/89/1026709089.db2.gz HYNOGSQZHFBKLX-UKRRQHHQSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218477 1026709783 /nfs/dbraw/zinc/70/97/83/1026709783.db2.gz UMCLMPHHYORMEE-HIFRSBDPSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216547 1026710383 /nfs/dbraw/zinc/71/03/83/1026710383.db2.gz KMPPOQHCZNZMMW-CQSZACIVSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222395 1026711834 /nfs/dbraw/zinc/71/18/34/1026711834.db2.gz RZTWLXUSCSHVAM-RISCZKNCSA-N 0 1 319.367 3.860 20 10 DHCDMN COc1ncccc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000810261337 1026722769 /nfs/dbraw/zinc/72/27/69/1026722769.db2.gz VDBURXGIOLZFKF-AWEZNQCLSA-N 0 1 322.408 3.842 20 10 DHCDMN CC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237076 1026723860 /nfs/dbraw/zinc/72/38/60/1026723860.db2.gz DWFZSVAQBDOXGE-ZWNOBZJWSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+]CC1(CCO)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237987 1026725630 /nfs/dbraw/zinc/72/56/30/1026725630.db2.gz HCBSAXUJSBOQLJ-ZDUSSCGKSA-N 0 1 317.351 3.614 20 10 DHCDMN CC[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236785 1026725669 /nfs/dbraw/zinc/72/56/69/1026725669.db2.gz NIHNBIVGYWQBPE-CYBMUJFWSA-N 0 1 317.351 3.614 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238389 1026725928 /nfs/dbraw/zinc/72/59/28/1026725928.db2.gz ZUNLZJVVAXONPS-SMDDNHRTSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238588 1026726133 /nfs/dbraw/zinc/72/61/33/1026726133.db2.gz LAYAMDUJPKWYGI-KWBADKCTSA-N 0 1 305.340 3.875 20 10 DHCDMN CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241881 1026727315 /nfs/dbraw/zinc/72/73/15/1026727315.db2.gz ZXBBWOKCTKMWMZ-ZDUSSCGKSA-N 0 1 317.351 3.757 20 10 DHCDMN C[C@@H]1CN(Cc2cc(Br)ccc2O)CCC1(F)F ZINC000811512059 1027026765 /nfs/dbraw/zinc/02/67/65/1027026765.db2.gz DCWABOLGDCLZLF-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811510351 1027027716 /nfs/dbraw/zinc/02/77/16/1027027716.db2.gz CYJDNNTYMOFFRG-DZGCQCFKSA-N 0 1 313.800 3.574 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747831508 1027492751 /nfs/dbraw/zinc/49/27/51/1027492751.db2.gz ZVWFTXDUFZJOMX-IRXDYDNUSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747831508 1027492757 /nfs/dbraw/zinc/49/27/57/1027492757.db2.gz ZVWFTXDUFZJOMX-IRXDYDNUSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000747831508 1027492764 /nfs/dbraw/zinc/49/27/64/1027492764.db2.gz ZVWFTXDUFZJOMX-IRXDYDNUSA-N 0 1 311.425 3.794 20 10 DHCDMN C=C/C(C)=C\CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682463 1027696408 /nfs/dbraw/zinc/69/64/08/1027696408.db2.gz FCBVPIVOXJGXKL-WTKPLQERSA-N 0 1 300.185 3.838 20 10 DHCDMN Cc1csc(C2(N[C@H]3CCc4cccc(O)c43)CCC2)n1 ZINC000296986680 1027771557 /nfs/dbraw/zinc/77/15/57/1027771557.db2.gz SEQUZAJVZAFJFJ-ZDUSSCGKSA-N 0 1 300.427 3.813 20 10 DHCDMN CC(C)c1ncc2c(n1)CCN(Cc1cccc(Cl)c1O)C2 ZINC000527617630 1027782985 /nfs/dbraw/zinc/78/29/85/1027782985.db2.gz BYMGTNAQASEYCS-UHFFFAOYSA-N 0 1 317.820 3.517 20 10 DHCDMN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000779024930 1027906602 /nfs/dbraw/zinc/90/66/02/1027906602.db2.gz DZAPVPPETADSQZ-OIISXLGYSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000779024930 1027906617 /nfs/dbraw/zinc/90/66/17/1027906617.db2.gz DZAPVPPETADSQZ-OIISXLGYSA-N 0 1 307.409 3.557 20 10 DHCDMN C[C@]12CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1C2(F)F ZINC000814169238 1027924419 /nfs/dbraw/zinc/92/44/19/1027924419.db2.gz FRORZYBXAYXXPH-YPMHNXCESA-N 0 1 305.727 3.662 20 10 DHCDMN C[C@@]12CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]1C2(F)F ZINC000814169236 1027925428 /nfs/dbraw/zinc/92/54/28/1027925428.db2.gz FRORZYBXAYXXPH-WCQYABFASA-N 0 1 305.727 3.662 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000528003400 1028030048 /nfs/dbraw/zinc/03/00/48/1028030048.db2.gz SESVYJFRPBWLIK-SWLSCSKDSA-N 0 1 308.853 3.713 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000367376826 1028176230 /nfs/dbraw/zinc/17/62/30/1028176230.db2.gz DEERMQLXGBADIW-QFBILLFUSA-N 0 1 319.445 3.503 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000367460452 1028188757 /nfs/dbraw/zinc/18/87/57/1028188757.db2.gz AZRUPRBETYXSNW-UHFFFAOYSA-N 0 1 302.805 3.820 20 10 DHCDMN C[C@H](NCc1cccc(O)c1Cl)c1ccc(N(C)C)cc1 ZINC000815136268 1028394683 /nfs/dbraw/zinc/39/46/83/1028394683.db2.gz TWCKDYNQCICJRU-LBPRGKRZSA-N 0 1 304.821 3.962 20 10 DHCDMN CC[C@@H](Nc1cnccc1-n1cc(C)cn1)c1ccccc1O ZINC000369017923 1028435584 /nfs/dbraw/zinc/43/55/84/1028435584.db2.gz JOQWQNOTAJZZFA-OAHLLOKOSA-N 0 1 308.385 3.845 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000370719109 1028643936 /nfs/dbraw/zinc/64/39/36/1028643936.db2.gz IRCQYMQSGSZBHP-AWEZNQCLSA-N 0 1 302.805 3.505 20 10 DHCDMN C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(F)ccc1[O-] ZINC000371862067 1028768020 /nfs/dbraw/zinc/76/80/20/1028768020.db2.gz ASOOUWDLPYZBMD-CYBMUJFWSA-N 0 1 307.409 3.921 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000816487378 1028893463 /nfs/dbraw/zinc/89/34/63/1028893463.db2.gz LCFASNCEMOCGHN-OAHLLOKOSA-N 0 1 306.768 3.917 20 10 DHCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])on1 ZINC000816492877 1028899458 /nfs/dbraw/zinc/89/94/58/1028899458.db2.gz HQGQNTUJRGMLOW-CYBMUJFWSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1c(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc2ccccc21 ZINC000816512925 1028915643 /nfs/dbraw/zinc/91/56/43/1028915643.db2.gz ZNTRHRFLLUNACL-UHFFFAOYSA-N 0 1 307.397 3.648 20 10 DHCDMN Cc1cnc(CC[N@@H+](C)Cc2ccc3ccccc3c2[O-])s1 ZINC000816516723 1028919903 /nfs/dbraw/zinc/91/99/03/1028919903.db2.gz OIBNWSQUMQCABL-UHFFFAOYSA-N 0 1 312.438 3.985 20 10 DHCDMN Cc1cnc(CC[N@H+](C)Cc2ccc3ccccc3c2[O-])s1 ZINC000816516723 1028919919 /nfs/dbraw/zinc/91/99/19/1028919919.db2.gz OIBNWSQUMQCABL-UHFFFAOYSA-N 0 1 312.438 3.985 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521708 1028931372 /nfs/dbraw/zinc/93/13/72/1028931372.db2.gz XBSYGDLHACIQTL-WMZOPIPTSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521708 1028931389 /nfs/dbraw/zinc/93/13/89/1028931389.db2.gz XBSYGDLHACIQTL-WMZOPIPTSA-N 0 1 311.425 3.794 20 10 DHCDMN CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccnn1C ZINC000816589297 1028938475 /nfs/dbraw/zinc/93/84/75/1028938475.db2.gz SMMDAPYNAXHHLN-GOSISDBHSA-N 0 1 323.440 3.808 20 10 DHCDMN CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccnn1C ZINC000816589298 1028939227 /nfs/dbraw/zinc/93/92/27/1028939227.db2.gz SMMDAPYNAXHHLN-SFHVURJKSA-N 0 1 323.440 3.808 20 10 DHCDMN Cc1cccc(CN2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1O ZINC000816643150 1028969168 /nfs/dbraw/zinc/96/91/68/1028969168.db2.gz WMROTGBFODFQJI-HNNXBMFYSA-N 0 1 317.351 3.632 20 10 DHCDMN COc1cc(Cl)cc(CNc2cc3c(cn2)CCC3)c1O ZINC000816660532 1028980860 /nfs/dbraw/zinc/98/08/60/1028980860.db2.gz HWYAYYHJVJYUKU-UHFFFAOYSA-N 0 1 304.777 3.550 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667801 1028990608 /nfs/dbraw/zinc/99/06/08/1028990608.db2.gz XKJPUOZYRJZJJA-AWEZNQCLSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667801 1028990621 /nfs/dbraw/zinc/99/06/21/1028990621.db2.gz XKJPUOZYRJZJJA-AWEZNQCLSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667801 1028990636 /nfs/dbraw/zinc/99/06/36/1028990636.db2.gz XKJPUOZYRJZJJA-AWEZNQCLSA-N 0 1 313.800 3.576 20 10 DHCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155455845 1029235950 /nfs/dbraw/zinc/23/59/50/1029235950.db2.gz CWCJRMFEWZMNOI-GFCCVEGCSA-N 0 1 304.217 3.700 20 10 DHCDMN CC[C@H]([NH2+]CC1(N)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817965021 1029304459 /nfs/dbraw/zinc/30/44/59/1029304459.db2.gz NCAXSNKSEJJOSF-LBPRGKRZSA-N 0 1 303.233 3.621 20 10 DHCDMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000290443918 1030052383 /nfs/dbraw/zinc/05/23/83/1030052383.db2.gz LYVXWKXFTZNEQW-QGZVFWFLSA-N 0 1 316.424 3.569 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866499770 1030327490 /nfs/dbraw/zinc/32/74/90/1030327490.db2.gz NQWHKMKTYOBRIP-BDODKLCJSA-N 0 1 324.140 3.756 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000866499016 1030327893 /nfs/dbraw/zinc/32/78/93/1030327893.db2.gz CRZAIEGATDFMRZ-WQGWLQIFSA-N 0 1 324.140 3.756 20 10 DHCDMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N(C)C)cc1 ZINC000777565307 1030409356 /nfs/dbraw/zinc/40/93/56/1030409356.db2.gz BVGNUDXZCGGWMQ-CQSZACIVSA-N 0 1 307.401 3.506 20 10 DHCDMN COc1cccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1O ZINC000824382398 1030543189 /nfs/dbraw/zinc/54/31/89/1030543189.db2.gz BSDYCNHDSHQYEA-GFCCVEGCSA-N 0 1 323.314 3.595 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCCCCC2)c(Cl)c1 ZINC001308706943 1030630145 /nfs/dbraw/zinc/63/01/45/1030630145.db2.gz YWVNUWDNDKIVDO-UHFFFAOYSA-N 0 1 311.853 3.871 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCCCCC2)c(Cl)c1 ZINC001308706943 1030630164 /nfs/dbraw/zinc/63/01/64/1030630164.db2.gz YWVNUWDNDKIVDO-UHFFFAOYSA-N 0 1 311.853 3.871 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000824751379 1030638430 /nfs/dbraw/zinc/63/84/30/1030638430.db2.gz UXDJILSAQOCQFV-HNNXBMFYSA-N 0 1 311.425 3.984 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000824820854 1030649017 /nfs/dbraw/zinc/64/90/17/1030649017.db2.gz OWHFTXUCPKNIGQ-CYBMUJFWSA-N 0 1 318.244 3.946 20 10 DHCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1F ZINC000825078245 1030721663 /nfs/dbraw/zinc/72/16/63/1030721663.db2.gz XEMHIKQDAIVNHY-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc([C@H](C)O)cc2)cc1Cl ZINC000825138798 1030735220 /nfs/dbraw/zinc/73/52/20/1030735220.db2.gz XIWPBWJXJDZRHP-LBPRGKRZSA-N 0 1 305.805 3.697 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215019 1030749040 /nfs/dbraw/zinc/74/90/40/1030749040.db2.gz CVDPUDFXOMBVLI-HNNXBMFYSA-N 0 1 315.841 3.904 20 10 DHCDMN CCc1ccc([C@@H](COC)NCc2cc(Cl)c(C)cc2O)o1 ZINC000825287487 1030766893 /nfs/dbraw/zinc/76/68/93/1030766893.db2.gz KSLZVFZLPPUSJE-OAHLLOKOSA-N 0 1 323.820 3.987 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000825297345 1030769015 /nfs/dbraw/zinc/76/90/15/1030769015.db2.gz BLHVWBHBTATKTR-MRXNPFEDSA-N 0 1 305.805 3.567 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000825321169 1030773886 /nfs/dbraw/zinc/77/38/86/1030773886.db2.gz UAAHUWGDAXUHMD-WQVCFCJDSA-N 0 1 309.837 3.647 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000825359052 1030786180 /nfs/dbraw/zinc/78/61/80/1030786180.db2.gz XIKWPCIYQVBKGB-CZUORRHYSA-N 0 1 311.853 3.775 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(Cl)cc1[O-] ZINC000927101054 1031087579 /nfs/dbraw/zinc/08/75/79/1031087579.db2.gz PKIFEMXTKPHRNO-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN CCC[C@@H](CC)S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000844664295 1031286822 /nfs/dbraw/zinc/28/68/22/1031286822.db2.gz RTYHPKYFJFOPLN-MRVPVSSYSA-N 0 1 309.790 3.505 20 10 DHCDMN CCc1noc(C)c1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000293644369 1031552035 /nfs/dbraw/zinc/55/20/35/1031552035.db2.gz HJOMLJJZIXHOSB-CYBMUJFWSA-N 0 1 301.434 3.852 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCSCCC(F)(F)F ZINC000865788459 1031723475 /nfs/dbraw/zinc/72/34/75/1031723475.db2.gz SDAXPLAQMYOSSQ-UHFFFAOYSA-N 0 1 313.772 3.821 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000845971827 1031789813 /nfs/dbraw/zinc/78/98/13/1031789813.db2.gz NFPODQYMYLKZGZ-LLVKDONJSA-N 0 1 318.442 3.587 20 10 DHCDMN CCn1cc(C[N@@H+](Cc2cc(Cl)ccc2O)C(C)C)cn1 ZINC000846055000 1031845579 /nfs/dbraw/zinc/84/55/79/1031845579.db2.gz IIZAFFJLZLNJSK-UHFFFAOYSA-N 0 1 307.825 3.673 20 10 DHCDMN CCn1cc(C[N@H+](Cc2cc(Cl)ccc2[O-])C(C)C)cn1 ZINC000846055000 1031845595 /nfs/dbraw/zinc/84/55/95/1031845595.db2.gz IIZAFFJLZLNJSK-UHFFFAOYSA-N 0 1 307.825 3.673 20 10 DHCDMN CCn1cc(C[N@@H+](Cc2cc(Cl)ccc2[O-])C(C)C)cn1 ZINC000846055000 1031845606 /nfs/dbraw/zinc/84/56/06/1031845606.db2.gz IIZAFFJLZLNJSK-UHFFFAOYSA-N 0 1 307.825 3.673 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071982 1031943950 /nfs/dbraw/zinc/94/39/50/1031943950.db2.gz WTNJIRJSFYVZMS-LLVKDONJSA-N 0 1 308.834 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071982 1031943956 /nfs/dbraw/zinc/94/39/56/1031943956.db2.gz WTNJIRJSFYVZMS-LLVKDONJSA-N 0 1 308.834 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672367 1033404357 /nfs/dbraw/zinc/40/43/57/1033404357.db2.gz CPRHVIVTDVQTRU-IRXDYDNUSA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672367 1033404361 /nfs/dbraw/zinc/40/43/61/1033404361.db2.gz CPRHVIVTDVQTRU-IRXDYDNUSA-N 0 1 317.816 3.744 20 10 DHCDMN Cc1nn(-c2ccccc2)c(C)c1CN1Cc2cccc(O)c2C1 ZINC000877703362 1033418398 /nfs/dbraw/zinc/41/83/98/1033418398.db2.gz DWFBNQUCDGSWIQ-UHFFFAOYSA-N 0 1 319.408 3.711 20 10 DHCDMN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877729023 1033423169 /nfs/dbraw/zinc/42/31/69/1033423169.db2.gz MMHGEKWVEQGLRG-GXFFZTMASA-N 0 1 303.299 3.766 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1noc2cc(F)ccc12 ZINC000877761748 1033440193 /nfs/dbraw/zinc/44/01/93/1033440193.db2.gz ODJFWFJPRVXVOO-UHFFFAOYSA-N 0 1 313.376 3.631 20 10 DHCDMN CCCN(Cc1nc2c(o1)CCCC2)Cc1ccccc1O ZINC000878151454 1033598237 /nfs/dbraw/zinc/59/82/37/1033598237.db2.gz QURQAYIDGOCGMO-UHFFFAOYSA-N 0 1 300.402 3.671 20 10 DHCDMN CCSC[C@@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001173304805 1033659452 /nfs/dbraw/zinc/65/94/52/1033659452.db2.gz KDSWTHGDMNAIRB-CYBMUJFWSA-N 0 1 318.486 3.687 20 10 DHCDMN COc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)c1 ZINC000862551995 1033885659 /nfs/dbraw/zinc/88/56/59/1033885659.db2.gz VZDHRELPAFADKF-UHFFFAOYSA-N 0 1 319.351 3.848 20 10 DHCDMN COc1ccc(F)cc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825562413 1033948769 /nfs/dbraw/zinc/94/87/69/1033948769.db2.gz LFYQIKDEOGIFRI-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC(c3ccncn3)CC2)cc1Cl ZINC000826120503 1034088925 /nfs/dbraw/zinc/08/89/25/1034088925.db2.gz DZVRVJAZPFOJLS-UHFFFAOYSA-N 0 1 317.820 3.524 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)c2cccnc2)cc1Cl ZINC000826124052 1034120813 /nfs/dbraw/zinc/12/08/13/1034120813.db2.gz ZEPWDOABYXCJRL-UHFFFAOYSA-N 0 1 304.821 3.816 20 10 DHCDMN Oc1c(CNc2ccc3c(c2)OC(F)(F)O3)ccc(F)c1F ZINC000864019233 1034257558 /nfs/dbraw/zinc/25/75/58/1034257558.db2.gz VUICUKYUIVJJIT-UHFFFAOYSA-N 0 1 315.222 3.604 20 10 DHCDMN CCC(=O)Nc1ccc(C)c(NCc2ccc(F)c(F)c2O)c1 ZINC000864018848 1034258502 /nfs/dbraw/zinc/25/85/02/1034258502.db2.gz ZTSPDDCAJQMPMW-UHFFFAOYSA-N 0 1 320.339 3.939 20 10 DHCDMN COc1cc(O)c(CN(C)[C@H](C)c2ccccc2F)cc1OC ZINC000179677367 1034324026 /nfs/dbraw/zinc/32/40/26/1034324026.db2.gz RJWPLUZCUAELLJ-GFCCVEGCSA-N 0 1 319.376 3.742 20 10 DHCDMN CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(Cl)c1O ZINC000015250367 1034419196 /nfs/dbraw/zinc/41/91/96/1034419196.db2.gz DNGBILDOYIYAKU-AWEZNQCLSA-N 0 1 323.179 3.895 20 10 DHCDMN O=C(c1ccncc1)c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001174502424 1034462263 /nfs/dbraw/zinc/46/22/63/1034462263.db2.gz NZGALGSOQZIZPR-UHFFFAOYSA-N 0 1 314.348 3.933 20 10 DHCDMN COc1cc(Cl)cc(CNC2(c3ccccc3F)CC2)c1O ZINC000184708983 1034496717 /nfs/dbraw/zinc/49/67/17/1034496717.db2.gz BFLKHNKEFRPONN-UHFFFAOYSA-N 0 1 321.779 3.972 20 10 DHCDMN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000185313192 1034541502 /nfs/dbraw/zinc/54/15/02/1034541502.db2.gz PYSZGYDONLYHBF-CQSZACIVSA-N 0 1 309.413 3.562 20 10 DHCDMN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185453893 1034549033 /nfs/dbraw/zinc/54/90/33/1034549033.db2.gz CAJHFNCYZBIDKX-YVEFUNNKSA-N 0 1 305.805 3.604 20 10 DHCDMN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185453858 1034549681 /nfs/dbraw/zinc/54/96/81/1034549681.db2.gz CAJHFNCYZBIDKX-SJCJKPOMSA-N 0 1 305.805 3.604 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000185669948 1034564583 /nfs/dbraw/zinc/56/45/83/1034564583.db2.gz KZVFGLQKWAOGKC-ONGXEEELSA-N 0 1 303.880 3.545 20 10 DHCDMN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000194755464 1035322994 /nfs/dbraw/zinc/32/29/94/1035322994.db2.gz IUXIGNDJPZFUIX-CQSZACIVSA-N 0 1 309.413 3.860 20 10 DHCDMN CCCN(CCC)c1ccc(CNCc2cc(C)n[nH]2)cc1 ZINC001177920103 1035398485 /nfs/dbraw/zinc/39/84/85/1035398485.db2.gz QMHBGUMTHLDOOP-UHFFFAOYSA-N 0 1 300.450 3.634 20 10 DHCDMN CCN(CC)c1ccc(CNc2ccc3nn[nH]c3c2)cc1F ZINC001178046074 1035406252 /nfs/dbraw/zinc/40/62/52/1035406252.db2.gz HXZUNWHOKUNTBG-UHFFFAOYSA-N 0 1 313.380 3.555 20 10 DHCDMN CCN(CC)c1ccc(CNc2ccc3n[nH]nc3c2)cc1F ZINC001178046074 1035406255 /nfs/dbraw/zinc/40/62/55/1035406255.db2.gz HXZUNWHOKUNTBG-UHFFFAOYSA-N 0 1 313.380 3.555 20 10 DHCDMN CCN(C)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000773732502 1035417676 /nfs/dbraw/zinc/41/76/76/1035417676.db2.gz CGGLRIJTKBYDIZ-UHFFFAOYSA-N 0 1 313.401 3.683 20 10 DHCDMN c1cc2[nH]nnc2c(NCc2ccc(N3CCCCC3)cc2)c1 ZINC001178754296 1035445655 /nfs/dbraw/zinc/44/56/55/1035445655.db2.gz IOYYQRNTFLNJRP-UHFFFAOYSA-N 0 1 307.401 3.560 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2cncn2c1 ZINC001178916900 1035454981 /nfs/dbraw/zinc/45/49/81/1035454981.db2.gz RADQJPYWTACIHH-UHFFFAOYSA-N 0 1 322.195 3.637 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(Cl)c1 ZINC001179253861 1035471383 /nfs/dbraw/zinc/47/13/83/1035471383.db2.gz SPAOBVYYWWPPEV-HNNXBMFYSA-N 0 1 317.816 3.585 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775555549 1035521111 /nfs/dbraw/zinc/52/11/11/1035521111.db2.gz ZXXXRNCKCHKZES-KGLIPLIRSA-N 0 1 309.793 3.803 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042987 1035573232 /nfs/dbraw/zinc/57/32/32/1035573232.db2.gz NQJIOXOWLZKFFU-JKIFEVAISA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001180042987 1035573236 /nfs/dbraw/zinc/57/32/36/1035573236.db2.gz NQJIOXOWLZKFFU-JKIFEVAISA-N 0 1 322.880 3.883 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1 ZINC001180120244 1035605205 /nfs/dbraw/zinc/60/52/05/1035605205.db2.gz GJCDRICTQRVITL-OAQYLSRUSA-N 0 1 324.468 3.943 20 10 DHCDMN C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC001180188254 1035608456 /nfs/dbraw/zinc/60/84/56/1035608456.db2.gz DDXHREVQXIHBOF-GFCCVEGCSA-N 0 1 323.795 3.740 20 10 DHCDMN O=C(Nc1nc2ccccc2s1)c1cc(O)c(O)c(Cl)c1 ZINC001193589101 1035668374 /nfs/dbraw/zinc/66/83/74/1035668374.db2.gz CWQHPRFHYPYVPO-UHFFFAOYSA-N 0 1 320.757 3.613 20 10 DHCDMN CC(C)c1ccc(O)c(CN2CCOc3cc(O)ccc3C2)c1 ZINC001181688292 1035954681 /nfs/dbraw/zinc/95/46/81/1035954681.db2.gz RRCXLXYRKABXCD-UHFFFAOYSA-N 0 1 313.397 3.616 20 10 DHCDMN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000773963132 1036075957 /nfs/dbraw/zinc/07/59/57/1036075957.db2.gz JJYFYHJRFLTNNL-SFHVURJKSA-N 0 1 323.408 3.515 20 10 DHCDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000773963132 1036075968 /nfs/dbraw/zinc/07/59/68/1036075968.db2.gz JJYFYHJRFLTNNL-SFHVURJKSA-N 0 1 323.408 3.515 20 10 DHCDMN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1n[nH]c(C)c1C ZINC001182471614 1036357774 /nfs/dbraw/zinc/35/77/74/1036357774.db2.gz ZJTUCPMLNCSSCL-INIZCTEOSA-N 0 1 313.445 3.870 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000775718649 1036542406 /nfs/dbraw/zinc/54/24/06/1036542406.db2.gz NDOLIKHHNUOADI-OAHLLOKOSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762614037 1036871794 /nfs/dbraw/zinc/87/17/94/1036871794.db2.gz MFPADIDKLACWKT-BNOWGMLFSA-N 0 1 315.891 3.515 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762614043 1036872844 /nfs/dbraw/zinc/87/28/44/1036872844.db2.gz MFPADIDKLACWKT-XBFCOCLRSA-N 0 1 315.891 3.515 20 10 DHCDMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833822 1036990469 /nfs/dbraw/zinc/99/04/69/1036990469.db2.gz MVYGMWVDJUXYTH-OLZOCXBDSA-N 0 1 316.401 3.544 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774863514 1037131048 /nfs/dbraw/zinc/13/10/48/1037131048.db2.gz OEYKXMZNVWQFHC-ZDUSSCGKSA-N 0 1 322.405 3.710 20 10 DHCDMN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000322414768 1037207141 /nfs/dbraw/zinc/20/71/41/1037207141.db2.gz XEWBNFSKLUDXSU-CYBMUJFWSA-N 0 1 314.429 3.501 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825529582 1037342174 /nfs/dbraw/zinc/34/21/74/1037342174.db2.gz FFYNPSLSHGNDHU-SJORKVTESA-N 0 1 309.837 3.649 20 10 DHCDMN CC(F)(F)CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691500496 1037835778 /nfs/dbraw/zinc/83/57/78/1037835778.db2.gz GYMUYNVAYDEFFW-UHFFFAOYSA-N 0 1 308.166 3.680 20 10 DHCDMN CC[C@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775413881 1038387998 /nfs/dbraw/zinc/38/79/98/1038387998.db2.gz DKIQGPHMPLRHIZ-SFHVURJKSA-N 0 1 307.397 3.819 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775483372 1038551203 /nfs/dbraw/zinc/55/12/03/1038551203.db2.gz SJFGIXAYWUXSQI-RDJZCZTQSA-N 0 1 305.805 3.820 20 10 DHCDMN CCOc1ccc(N(CC)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001192012783 1038580277 /nfs/dbraw/zinc/58/02/77/1038580277.db2.gz KOMYQALIBFFPBU-UHFFFAOYSA-N 0 1 316.357 3.726 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775523008 1038628459 /nfs/dbraw/zinc/62/84/59/1038628459.db2.gz DBQRYBAHAHSNBL-HZPDHXFCSA-N 0 1 323.795 3.959 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000129815611 1039728250 /nfs/dbraw/zinc/72/82/50/1039728250.db2.gz BNSCJFJQLYASKS-QGZVFWFLSA-N 0 1 317.816 3.649 20 10 DHCDMN CCSCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000231395733 1040228737 /nfs/dbraw/zinc/22/87/37/1040228737.db2.gz GFMXKDXZCICXHP-JTQLQIEISA-N 0 1 318.280 3.776 20 10 DHCDMN COc1cc(Cl)cc(CN[C@H](C)c2c(C)noc2C)c1O ZINC000228674690 1041049486 /nfs/dbraw/zinc/04/94/86/1041049486.db2.gz NPEHPPGTTWWNFH-MRVPVSSYSA-N 0 1 310.781 3.510 20 10 DHCDMN C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000093644405 193280517 /nfs/dbraw/zinc/28/05/17/193280517.db2.gz VIZPDUHPMOWJOV-ZWNOBZJWSA-N 0 1 317.260 3.614 20 10 DHCDMN COCC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000272132261 130001678 /nfs/dbraw/zinc/00/16/78/130001678.db2.gz ARIKTJDWTSJYIQ-INIZCTEOSA-N 0 1 320.408 3.661 20 10 DHCDMN COCC[C@H](NCc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000272359263 130022971 /nfs/dbraw/zinc/02/29/71/130022971.db2.gz VXMAZWWHKCSQOY-INIZCTEOSA-N 0 1 303.402 3.772 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c(O)c1C ZINC000273527025 130132259 /nfs/dbraw/zinc/13/22/59/130132259.db2.gz VMXMTMKTHLTGMW-OLZOCXBDSA-N 0 1 302.422 3.662 20 10 DHCDMN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000273591944 130142367 /nfs/dbraw/zinc/14/23/67/130142367.db2.gz PNMUSEUQCYDHKO-CXAGYDPISA-N 0 1 311.381 3.831 20 10 DHCDMN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273618462 130145174 /nfs/dbraw/zinc/14/51/74/130145174.db2.gz YJIFWPWHGBHVID-RKDXNWHRSA-N 0 1 311.731 3.664 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccc[nH]2)c1O ZINC000273723058 130159015 /nfs/dbraw/zinc/15/90/15/130159015.db2.gz ITCNHYNUPADBFP-AWEZNQCLSA-N 0 1 306.793 3.719 20 10 DHCDMN COCC1=CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000274973164 130279330 /nfs/dbraw/zinc/27/93/30/130279330.db2.gz WKPPPYLVEWDAPV-UHFFFAOYSA-N 0 1 309.409 3.838 20 10 DHCDMN COC[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630161 333210858 /nfs/dbraw/zinc/21/08/58/333210858.db2.gz DOFMKLNRCAKQAI-BXUZGUMPSA-N 0 1 309.793 3.985 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295041574 335130101 /nfs/dbraw/zinc/13/01/01/335130101.db2.gz DXRUGEKYTUXARU-UHFFFAOYSA-N 0 1 309.837 3.563 20 10 DHCDMN CCOc1cccc(CN[C@@H]2COc3cccc(Cl)c32)c1O ZINC000367961589 336833176 /nfs/dbraw/zinc/83/31/76/336833176.db2.gz HREDVVXYVGFBKT-CYBMUJFWSA-N 0 1 319.788 3.668 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374472962 336990023 /nfs/dbraw/zinc/99/00/23/336990023.db2.gz SBZAHRLYLGJERO-KBXCAEBGSA-N 0 1 317.816 3.913 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112796 337253802 /nfs/dbraw/zinc/25/38/02/337253802.db2.gz AXIJDUCEJDYCCC-HUUCEWRRSA-N 0 1 322.412 3.693 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000248517766 337564224 /nfs/dbraw/zinc/56/42/24/337564224.db2.gz PLYMYSPTHOBIDY-AADNMHCOSA-N 0 1 305.393 3.530 20 10 DHCDMN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc2ccccc2c1[O-] ZINC000273528168 341636125 /nfs/dbraw/zinc/63/61/25/341636125.db2.gz VWSSFLIRRSMCJA-AWEZNQCLSA-N 0 1 301.430 3.995 20 10 DHCDMN C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000129902561 524619976 /nfs/dbraw/zinc/61/99/76/524619976.db2.gz GBCBRKOHUUHCCL-SJKOYZFVSA-N 0 1 305.805 3.647 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1[O-] ZINC000287308108 535808310 /nfs/dbraw/zinc/80/83/10/535808310.db2.gz CUQDWZDCDKHYJV-ZIAGYGMSSA-N 0 1 305.809 3.887 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1[O-] ZINC000287308091 535945901 /nfs/dbraw/zinc/94/59/01/535945901.db2.gz CUQDWZDCDKHYJV-KBPBESRZSA-N 0 1 305.809 3.887 20 10 DHCDMN COCC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624379 536817665 /nfs/dbraw/zinc/81/76/65/536817665.db2.gz YXECOIWOUJZUOS-PBHICJAKSA-N 0 1 302.418 3.774 20 10 DHCDMN CCc1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000737251535 600420230 /nfs/dbraw/zinc/42/02/30/600420230.db2.gz TWBFVSNRZCUNKN-CQSZACIVSA-N 0 1 319.445 3.549 20 10 DHCDMN Cc1cccc(C)c1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167431229 1014302334 /nfs/dbraw/zinc/30/23/34/1014302334.db2.gz NGJUZKHJVGAVLC-UHFFFAOYSA-N 0 1 309.457 3.667 20 10 DHCDMN C[NH+](C)CCc1ccccc1NCc1cccc(Cl)c1[O-] ZINC000276022670 1014542806 /nfs/dbraw/zinc/54/28/06/1014542806.db2.gz QVBWFSFKKGXVDG-UHFFFAOYSA-N 0 1 304.821 3.762 20 10 DHCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)c(C)c1 ZINC000846278121 979445755 /nfs/dbraw/zinc/44/57/55/979445755.db2.gz LSZSSRAJGAYQMV-MRXNPFEDSA-N 0 1 318.461 3.670 20 10 DHCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1O ZINC001595360255 980750069 /nfs/dbraw/zinc/75/00/69/980750069.db2.gz FDGLYQJDNSAGOO-KRWDZBQOSA-N 0 1 313.397 3.739 20 10 DHCDMN CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1C ZINC001595961364 983159419 /nfs/dbraw/zinc/15/94/19/983159419.db2.gz YQILGCJRQBZERX-INIZCTEOSA-N 0 1 319.426 3.761 20 10 DHCDMN CC[C@@](C)(C[NH2+][C@H](C)c1ccc(Br)cc1[O-])OC ZINC000834881623 1014932613 /nfs/dbraw/zinc/93/26/13/1014932613.db2.gz CBALYVCWXJEBNP-YGRLFVJLSA-N 0 1 316.239 3.620 20 10 DHCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000320218991 1015119130 /nfs/dbraw/zinc/11/91/30/1015119130.db2.gz SOVGDGGBXCBICU-HUUCEWRRSA-N 0 1 300.446 3.925 20 10 DHCDMN CCOc1ccc([N@H+](CC2CC2)CC2(CC(=O)[O-])CC2)cc1 ZINC001597107324 986754898 /nfs/dbraw/zinc/75/48/98/986754898.db2.gz YZZOJUYMDHTPGI-UHFFFAOYSA-N 0 1 303.402 3.557 20 10 DHCDMN CCOc1ccc([N@@H+](CC2CC2)CC2(CC(=O)[O-])CC2)cc1 ZINC001597107324 986754909 /nfs/dbraw/zinc/75/49/09/986754909.db2.gz YZZOJUYMDHTPGI-UHFFFAOYSA-N 0 1 303.402 3.557 20 10 DHCDMN COc1cc(C)cc(CN[C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000895690307 1015258334 /nfs/dbraw/zinc/25/83/34/1015258334.db2.gz FOBCTDGNMPPPDS-AEFFLSMTSA-N 0 1 315.388 3.824 20 10 DHCDMN COc1ccc(CN(C)Cc2ccccc2Cl)c(O)c1OC ZINC000891477356 1015311767 /nfs/dbraw/zinc/31/17/67/1015311767.db2.gz JGSVDWNAQSSAFE-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COc1ccc(CN2CCc3sccc3[C@@H]2C)c(O)c1OC ZINC000891525546 1015353284 /nfs/dbraw/zinc/35/32/84/1015353284.db2.gz WDEXSDPCDSZIPC-NSHDSACASA-N 0 1 319.426 3.590 20 10 DHCDMN COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CC2 ZINC001140461852 1015440427 /nfs/dbraw/zinc/44/04/27/1015440427.db2.gz VUFXNVOVWGBMPN-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000896489387 1015599502 /nfs/dbraw/zinc/59/95/02/1015599502.db2.gz NHFVTSUGOXEWMR-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000896489387 1015599511 /nfs/dbraw/zinc/59/95/11/1015599511.db2.gz NHFVTSUGOXEWMR-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000896489387 1015599522 /nfs/dbraw/zinc/59/95/22/1015599522.db2.gz NHFVTSUGOXEWMR-INIZCTEOSA-N 0 1 321.424 3.659 20 10 DHCDMN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135460194 1016105384 /nfs/dbraw/zinc/10/53/84/1016105384.db2.gz AFMYCJASUNZTIT-CYBMUJFWSA-N 0 1 313.850 3.576 20 10 DHCDMN CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135460194 1016105398 /nfs/dbraw/zinc/10/53/98/1016105398.db2.gz AFMYCJASUNZTIT-CYBMUJFWSA-N 0 1 313.850 3.576 20 10 DHCDMN CCC[N@H+](CCC(C)(C)CC(=O)OCC)Cc1ccccc1[O-] ZINC001167522197 1016295086 /nfs/dbraw/zinc/29/50/86/1016295086.db2.gz UTAWMMFYMVAIDD-UHFFFAOYSA-N 0 1 321.461 3.974 20 10 DHCDMN CCC[N@@H+](CCC(C)(C)CC(=O)OCC)Cc1ccccc1[O-] ZINC001167522197 1016295091 /nfs/dbraw/zinc/29/50/91/1016295091.db2.gz UTAWMMFYMVAIDD-UHFFFAOYSA-N 0 1 321.461 3.974 20 10 DHCDMN Cc1ccc(O)c(CN[C@@H](COCC(C)C)c2ccco2)c1 ZINC000113332112 1016906841 /nfs/dbraw/zinc/90/68/41/1016906841.db2.gz LWGUUDNPEDBREV-INIZCTEOSA-N 0 1 303.402 3.797 20 10 DHCDMN CN(C)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000113330950 1016907585 /nfs/dbraw/zinc/90/75/85/1016907585.db2.gz TZMNLTHPLKOPNU-UHFFFAOYSA-N 0 1 308.784 3.541 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1[O-] ZINC001171330429 1032391235 /nfs/dbraw/zinc/39/12/35/1032391235.db2.gz BZPVPQGPRJCLSE-AWEZNQCLSA-N 0 1 305.393 3.746 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3CCCC3)C2)c1[O-] ZINC001171330429 1032391243 /nfs/dbraw/zinc/39/12/43/1032391243.db2.gz BZPVPQGPRJCLSE-AWEZNQCLSA-N 0 1 305.393 3.746 20 10 DHCDMN CCC(=O)Nc1cc(NCc2cc3ccccc3cc2O)ccn1 ZINC001171406113 1032593461 /nfs/dbraw/zinc/59/34/61/1032593461.db2.gz HLEOKTYTZZMMGM-UHFFFAOYSA-N 0 1 321.380 3.901 20 10 DHCDMN CCn1c(CNCc2ccc(N(C)C)cc2C)nc2ccccc21 ZINC000115629553 1032683840 /nfs/dbraw/zinc/68/38/40/1032683840.db2.gz BVQBFJXDECOGKL-UHFFFAOYSA-N 0 1 322.456 3.720 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897270064 1017222281 /nfs/dbraw/zinc/22/22/81/1017222281.db2.gz WVYRPIOANTVCDC-AWEZNQCLSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCc2occc21 ZINC000701060488 1017996442 /nfs/dbraw/zinc/99/64/42/1017996442.db2.gz TVWSREVZWGYUQZ-ZDUSSCGKSA-N 0 1 322.202 3.915 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000113312449 1018015204 /nfs/dbraw/zinc/01/52/04/1018015204.db2.gz RGLFAHZDFOILPN-OAHLLOKOSA-N 0 1 320.820 3.565 20 10 DHCDMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000278177912 1018285513 /nfs/dbraw/zinc/28/55/13/1018285513.db2.gz BIHXILNXAFEUFL-HNNXBMFYSA-N 0 1 309.457 3.877 20 10 DHCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706829924 1018762397 /nfs/dbraw/zinc/76/23/97/1018762397.db2.gz GXSYRNWGZNJNRR-ZJUUUORDSA-N 0 1 316.264 3.528 20 10 DHCDMN Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000707156902 1018785347 /nfs/dbraw/zinc/78/53/47/1018785347.db2.gz XQVSNVZWXNIHGX-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000707156902 1018785359 /nfs/dbraw/zinc/78/53/59/1018785359.db2.gz XQVSNVZWXNIHGX-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000707156902 1018785375 /nfs/dbraw/zinc/78/53/75/1018785375.db2.gz XQVSNVZWXNIHGX-NSHDSACASA-N 0 1 316.214 3.726 20 10 DHCDMN CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715712961 1018950116 /nfs/dbraw/zinc/95/01/16/1018950116.db2.gz MYKRANRCQWXVGI-JTQLQIEISA-N 0 1 316.214 3.916 20 10 DHCDMN CCCn1nccc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858294875 1032834145 /nfs/dbraw/zinc/83/41/45/1032834145.db2.gz QFQWDHZCNHQAGU-UHFFFAOYSA-N 0 1 322.456 3.990 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922681740 1020205650 /nfs/dbraw/zinc/20/56/50/1020205650.db2.gz SHHRWPRMFTTYSR-RNCFNFMXSA-N 0 1 323.742 3.635 20 10 DHCDMN C[N@H+](CCn1cccn1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000732186689 1020209322 /nfs/dbraw/zinc/20/93/22/1020209322.db2.gz VSULFQGQZIUHLW-UHFFFAOYSA-N 0 1 321.380 3.620 20 10 DHCDMN C[N@@H+](CCn1cccn1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000732186689 1020209333 /nfs/dbraw/zinc/20/93/33/1020209333.db2.gz VSULFQGQZIUHLW-UHFFFAOYSA-N 0 1 321.380 3.620 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCS1 ZINC000922842499 1020299489 /nfs/dbraw/zinc/29/94/89/1020299489.db2.gz MLKNNBXHAQTEPW-CABZTGNLSA-N 0 1 316.264 3.528 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091958288 1020328165 /nfs/dbraw/zinc/32/81/65/1020328165.db2.gz VTOHHIYIOVPTIC-GOEBONIOSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091958288 1020328178 /nfs/dbraw/zinc/32/81/78/1020328178.db2.gz VTOHHIYIOVPTIC-GOEBONIOSA-N 0 1 321.804 3.727 20 10 DHCDMN Oc1cccc(Cl)c1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000733324762 1020372000 /nfs/dbraw/zinc/37/20/00/1020372000.db2.gz BANLDJLDXDWDOY-SNVBAGLBSA-N 0 1 323.742 3.589 20 10 DHCDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(CC)no1 ZINC000282574184 1020464587 /nfs/dbraw/zinc/46/45/87/1020464587.db2.gz ZXOPNIUSIJJGTM-ZDUSSCGKSA-N 0 1 303.406 3.701 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H]1COc2ccc(Cl)cc21 ZINC000766030575 1020494365 /nfs/dbraw/zinc/49/43/65/1020494365.db2.gz UHWHQXLEQHUZMI-KRWDZBQOSA-N 0 1 316.832 3.938 20 10 DHCDMN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000858485432 1032913743 /nfs/dbraw/zinc/91/37/43/1032913743.db2.gz MXVVMZSLARJNFS-GDBMZVCRSA-N 0 1 301.430 3.993 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000735087320 1020689684 /nfs/dbraw/zinc/68/96/84/1020689684.db2.gz YXKRKBPVZBFJID-UHFFFAOYSA-N 0 1 318.779 3.998 20 10 DHCDMN CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000735678627 1020759276 /nfs/dbraw/zinc/75/92/76/1020759276.db2.gz YETNKKIZFZXQKH-WBMJQRKESA-N 0 1 311.853 3.977 20 10 DHCDMN CCn1cc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)cn1 ZINC000735676348 1020761870 /nfs/dbraw/zinc/76/18/70/1020761870.db2.gz KUEKTCXBEORHMI-UHFFFAOYSA-N 0 1 322.456 3.909 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCc2ccccc2CC1 ZINC000738225607 1020864736 /nfs/dbraw/zinc/86/47/36/1020864736.db2.gz HVTIUMQYONDSQW-UHFFFAOYSA-N 0 1 304.393 3.541 20 10 DHCDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861865 1020957160 /nfs/dbraw/zinc/95/71/60/1020957160.db2.gz SCXPEBSMSXWPHS-QZTJIDSGSA-N 0 1 314.429 3.576 20 10 DHCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861865 1020957167 /nfs/dbraw/zinc/95/71/67/1020957167.db2.gz SCXPEBSMSXWPHS-QZTJIDSGSA-N 0 1 314.429 3.576 20 10 DHCDMN CC[C@H]([NH2+]CC[C@H](C)OC)c1cc(Br)ccc1[O-] ZINC000311096354 1021213460 /nfs/dbraw/zinc/21/34/60/1021213460.db2.gz SGHATIXTWZCLAS-GWCFXTLKSA-N 0 1 316.239 3.620 20 10 DHCDMN C[N@@H+](Cc1cncs1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798146 1021279314 /nfs/dbraw/zinc/27/93/14/1021279314.db2.gz HIUVQBORUNRGBC-UHFFFAOYSA-N 0 1 303.214 3.788 20 10 DHCDMN C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)CO1 ZINC000743409059 1021290151 /nfs/dbraw/zinc/29/01/51/1021290151.db2.gz QYTFQLHUZICXEW-FOIQADDNSA-N 0 1 323.436 3.843 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000850377727 1021498870 /nfs/dbraw/zinc/49/88/70/1021498870.db2.gz KBEIAMYOELYOLR-GJZGRUSLSA-N 0 1 317.816 3.708 20 10 DHCDMN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001140924047 1021501627 /nfs/dbraw/zinc/50/16/27/1021501627.db2.gz BRTKMDSQRXKMRX-LLVKDONJSA-N 0 1 306.759 3.790 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000850408525 1021515849 /nfs/dbraw/zinc/51/58/49/1021515849.db2.gz ANVLPESDFAFUFP-USXIJHARSA-N 0 1 303.764 3.613 20 10 DHCDMN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850535582 1021590861 /nfs/dbraw/zinc/59/08/61/1021590861.db2.gz XJQIOKUZSSPPJQ-JTQLQIEISA-N 0 1 305.809 3.507 20 10 DHCDMN CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850535336 1021590994 /nfs/dbraw/zinc/59/09/94/1021590994.db2.gz VGVOTVCAZVFLFA-HNNXBMFYSA-N 0 1 319.836 3.897 20 10 DHCDMN C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(Cl)cc1[O-] ZINC000850549846 1021597625 /nfs/dbraw/zinc/59/76/25/1021597625.db2.gz KNAPBTHVZHPGMJ-LLVKDONJSA-N 0 1 319.836 3.897 20 10 DHCDMN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000850567065 1021611425 /nfs/dbraw/zinc/61/14/25/1021611425.db2.gz WFZCNMRAKJMRSS-SNVBAGLBSA-N 0 1 319.779 3.637 20 10 DHCDMN C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850572532 1021614224 /nfs/dbraw/zinc/61/42/24/1021614224.db2.gz LKPQSQNCVRMKAT-VIFPVBQESA-N 0 1 302.321 3.632 20 10 DHCDMN CC[C@H](NCc1ccc(N(CC)CC)cc1)c1nccn1C ZINC000182501395 1021684971 /nfs/dbraw/zinc/68/49/71/1021684971.db2.gz PIWHADOLULLELK-KRWDZBQOSA-N 0 1 300.450 3.507 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2ccco2)CC1 ZINC000853526963 1022287945 /nfs/dbraw/zinc/28/79/45/1022287945.db2.gz FZXDXVSMGBOLBV-UHFFFAOYSA-N 0 1 308.381 3.913 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586616 1022295938 /nfs/dbraw/zinc/29/59/38/1022295938.db2.gz VCNLZHICIVBWCP-HIFRSBDPSA-N 0 1 323.392 3.760 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000853586616 1022295948 /nfs/dbraw/zinc/29/59/48/1022295948.db2.gz VCNLZHICIVBWCP-HIFRSBDPSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)O1 ZINC000776763859 1022541373 /nfs/dbraw/zinc/54/13/73/1022541373.db2.gz QUSNYRYEMQHLQE-BETUJISGSA-N 0 1 311.381 3.901 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@H](C)O1 ZINC000776763859 1022541381 /nfs/dbraw/zinc/54/13/81/1022541381.db2.gz QUSNYRYEMQHLQE-BETUJISGSA-N 0 1 311.381 3.901 20 10 DHCDMN CC(F)(F)C(C)(C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691443025 1022695566 /nfs/dbraw/zinc/69/55/66/1022695566.db2.gz GEZGCXPQTYNTJY-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000068973646 1022822967 /nfs/dbraw/zinc/82/29/67/1022822967.db2.gz IVOLNMIVJFBFOE-GOSISDBHSA-N 0 1 321.367 3.616 20 10 DHCDMN CCc1ncc(CN(CC)Cc2ccc(N(C)C)cc2)s1 ZINC000768134883 1022900837 /nfs/dbraw/zinc/90/08/37/1022900837.db2.gz WWGXEXVEZWRGFL-UHFFFAOYSA-N 0 1 303.475 3.794 20 10 DHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768175794 1022912566 /nfs/dbraw/zinc/91/25/66/1022912566.db2.gz WGMOQTQHISTENJ-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cccn2C)cc1F ZINC000768199807 1022912946 /nfs/dbraw/zinc/91/29/46/1022912946.db2.gz ZCBFXOVNROBOAP-GOSISDBHSA-N 0 1 301.409 3.567 20 10 DHCDMN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000768268332 1022936684 /nfs/dbraw/zinc/93/66/84/1022936684.db2.gz HWVNUAINNAIOCB-JTQLQIEISA-N 0 1 316.239 3.640 20 10 DHCDMN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000768268332 1022936691 /nfs/dbraw/zinc/93/66/91/1022936691.db2.gz HWVNUAINNAIOCB-JTQLQIEISA-N 0 1 316.239 3.640 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCc3sccc3C2)c1[O-] ZINC000768233910 1022931211 /nfs/dbraw/zinc/93/12/11/1022931211.db2.gz BGBDHFPXSKEBFF-UHFFFAOYSA-N 0 1 324.789 3.574 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCc3sccc3C2)c1[O-] ZINC000768233910 1022931214 /nfs/dbraw/zinc/93/12/14/1022931214.db2.gz BGBDHFPXSKEBFF-UHFFFAOYSA-N 0 1 324.789 3.574 20 10 DHCDMN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000857080596 1022945523 /nfs/dbraw/zinc/94/55/23/1022945523.db2.gz JESMDEOHNKSLEK-RKDXNWHRSA-N 0 1 320.177 3.851 20 10 DHCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000768440280 1022967206 /nfs/dbraw/zinc/96/72/06/1022967206.db2.gz PZQWELGFMASQCB-SFHVURJKSA-N 0 1 319.445 3.753 20 10 DHCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCCC1 ZINC000768440280 1022967211 /nfs/dbraw/zinc/96/72/11/1022967211.db2.gz PZQWELGFMASQCB-SFHVURJKSA-N 0 1 319.445 3.753 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000768521236 1022981215 /nfs/dbraw/zinc/98/12/15/1022981215.db2.gz OGWXWFQWEVHPBV-JTQLQIEISA-N 0 1 304.217 3.557 20 10 DHCDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768541527 1022985421 /nfs/dbraw/zinc/98/54/21/1022985421.db2.gz OTUSWXWWELOISF-GFCCVEGCSA-N 0 1 315.816 3.823 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc3ccccc3o2)c1 ZINC000181229376 1022997900 /nfs/dbraw/zinc/99/79/00/1022997900.db2.gz SHYHSIAAXFMWHJ-VXGBXAGGSA-N 0 1 312.369 3.954 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc3ccccc3o2)c1 ZINC000181229361 1022998514 /nfs/dbraw/zinc/99/85/14/1022998514.db2.gz SHYHSIAAXFMWHJ-NWDGAFQWSA-N 0 1 312.369 3.954 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCOCC1 ZINC001237941601 1023006814 /nfs/dbraw/zinc/00/68/14/1023006814.db2.gz ZBHUJPHVLWBSPO-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN Cc1cc(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000025478891 1023050647 /nfs/dbraw/zinc/05/06/47/1023050647.db2.gz DMMBXCWVSDSIOQ-UHFFFAOYSA-N 0 1 300.358 3.549 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000123782688 1023069650 /nfs/dbraw/zinc/06/96/50/1023069650.db2.gz IHCTXWNNHWDUKZ-OAHLLOKOSA-N 0 1 312.196 3.522 20 10 DHCDMN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000769103834 1023091338 /nfs/dbraw/zinc/09/13/38/1023091338.db2.gz CNOCGQKZJUFWPL-QFBILLFUSA-N 0 1 302.462 3.676 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C1CC1)C1CC1 ZINC000769192669 1023091757 /nfs/dbraw/zinc/09/17/57/1023091757.db2.gz PUFCKNVGSREVBK-UHFFFAOYSA-N 0 1 310.781 3.574 20 10 DHCDMN Cc1nc2sccn2c1CN(C)Cc1cc(Cl)ccc1O ZINC000769306676 1023117741 /nfs/dbraw/zinc/11/77/41/1023117741.db2.gz BPMBHACOBZAZSD-UHFFFAOYSA-N 0 1 321.833 3.695 20 10 DHCDMN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1ccc(N(C)C)cc1 ZINC000769311208 1023119697 /nfs/dbraw/zinc/11/96/97/1023119697.db2.gz ZQJZTBKKOYPINN-UZLBHIALSA-N 0 1 310.441 3.715 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000769390555 1023139257 /nfs/dbraw/zinc/13/92/57/1023139257.db2.gz YXLKZXVTLNLUFA-JTQLQIEISA-N 0 1 322.748 3.536 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cccn2C)cc1F ZINC000769468827 1023161170 /nfs/dbraw/zinc/16/11/70/1023161170.db2.gz PWBFXCZHARIQNI-UHFFFAOYSA-N 0 1 303.425 3.642 20 10 DHCDMN CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756626265 1023234063 /nfs/dbraw/zinc/23/40/63/1023234063.db2.gz BTISANXGIDVQLU-TZMCWYRMSA-N 0 1 309.425 3.858 20 10 DHCDMN CN1CCN(c2ccc(/C=C/c3nc4ccccc4o3)cc2)CC1 ZINC000771521454 1023448111 /nfs/dbraw/zinc/44/81/11/1023448111.db2.gz SEOONYRSULDKIS-DHZHZOJOSA-N 0 1 319.408 3.750 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cnc3ccccn23)C2CC2)cc1 ZINC000771790593 1023469969 /nfs/dbraw/zinc/46/99/69/1023469969.db2.gz DSONWCJFKIDKEX-UHFFFAOYSA-N 0 1 320.440 3.565 20 10 DHCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000785990034 1023649426 /nfs/dbraw/zinc/64/94/26/1023649426.db2.gz YBSBMAYPWJNAMC-RULNRJAQSA-N 0 1 318.244 3.680 20 10 DHCDMN Cc1cc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cc(C)c1O ZINC000786826224 1023727070 /nfs/dbraw/zinc/72/70/70/1023727070.db2.gz DKEINICWAUPDEE-UHFFFAOYSA-N 0 1 305.805 3.700 20 10 DHCDMN CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000788537855 1023901149 /nfs/dbraw/zinc/90/11/49/1023901149.db2.gz KLPHOAHAWXACCL-QZTJIDSGSA-N 0 1 319.832 3.893 20 10 DHCDMN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185424692 1024028475 /nfs/dbraw/zinc/02/84/75/1024028475.db2.gz KYOUFTUULQZABY-ACJLOTCBSA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185465173 1024030455 /nfs/dbraw/zinc/03/04/55/1024030455.db2.gz UETVWIXZCASIIZ-IFXJQAMLSA-N 0 1 307.393 3.930 20 10 DHCDMN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789586344 1024119606 /nfs/dbraw/zinc/11/96/06/1024119606.db2.gz LQASWJYMSUOMMS-QGZVFWFLSA-N 0 1 319.832 3.735 20 10 DHCDMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789586344 1024119615 /nfs/dbraw/zinc/11/96/15/1024119615.db2.gz LQASWJYMSUOMMS-QGZVFWFLSA-N 0 1 319.832 3.735 20 10 DHCDMN Cc1ccc(CN[C@@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000876994956 1033202212 /nfs/dbraw/zinc/20/22/12/1033202212.db2.gz TZDGIZQEOBOYET-INIZCTEOSA-N 0 1 303.402 3.797 20 10 DHCDMN Oc1ccccc1CNCc1c(F)cccc1OC(F)(F)F ZINC000790533524 1024322641 /nfs/dbraw/zinc/32/26/41/1024322641.db2.gz ORGZSBZNZGCBIU-UHFFFAOYSA-N 0 1 315.266 3.720 20 10 DHCDMN CCOc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2F)c(O)c1 ZINC000883382689 1024414993 /nfs/dbraw/zinc/41/49/93/1024414993.db2.gz LIFHBOAPCFODTQ-PKOBYXMFSA-N 0 1 315.388 3.906 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1nc2ccccc2nc1C ZINC000877031366 1033213282 /nfs/dbraw/zinc/21/32/82/1033213282.db2.gz QLIGFGXVHOZHDE-UHFFFAOYSA-N 0 1 320.440 3.602 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2c(O)ccc(Cl)c2F)on1 ZINC000792167673 1024640861 /nfs/dbraw/zinc/64/08/61/1024640861.db2.gz XZXORWRFROYKPL-LBPRGKRZSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCCO)Cc1ccccc1 ZINC000792167166 1024641120 /nfs/dbraw/zinc/64/11/20/1024641120.db2.gz CIWKDPQERXFYJZ-UHFFFAOYSA-N 0 1 323.795 3.569 20 10 DHCDMN C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000321055112 1024649404 /nfs/dbraw/zinc/64/94/04/1024649404.db2.gz WTXJVUFEXRYMTK-OAHLLOKOSA-N 0 1 309.413 3.873 20 10 DHCDMN CCc1noc(CC)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000166947822 1024661323 /nfs/dbraw/zinc/66/13/23/1024661323.db2.gz MYCUOLBNFMOUPY-CYBMUJFWSA-N 0 1 301.434 3.716 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127459676 1024679605 /nfs/dbraw/zinc/67/96/05/1024679605.db2.gz ZIASVTNFABAOJV-CQSZACIVSA-N 0 1 321.218 3.820 20 10 DHCDMN C[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000120816310 1025055025 /nfs/dbraw/zinc/05/50/25/1025055025.db2.gz SQNHPRORDRCKMD-UHFFFAOYSA-N 0 1 311.212 3.769 20 10 DHCDMN Oc1c(CNc2ccnn2C2CCCCC2)ccc(F)c1F ZINC000877147761 1033257901 /nfs/dbraw/zinc/25/79/01/1033257901.db2.gz LYKMQUQJRWTYRO-UHFFFAOYSA-N 0 1 307.344 3.984 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(Br)cc2O)CCC1(F)F ZINC000825944315 1033261005 /nfs/dbraw/zinc/26/10/05/1033261005.db2.gz SXZHRAZAAUGSBL-SECBINFHSA-N 0 1 320.177 3.632 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc1Cl ZINC000825944093 1033268902 /nfs/dbraw/zinc/26/89/02/1033268902.db2.gz PTUGXVYXMKRPPP-GTNSWQLSSA-N 0 1 303.789 3.966 20 10 DHCDMN CCN(C#N)CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001168244626 1025381462 /nfs/dbraw/zinc/38/14/62/1025381462.db2.gz QXGPMFMFDKADSM-KRWDZBQOSA-N 0 1 323.440 3.758 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008526 1025435941 /nfs/dbraw/zinc/43/59/41/1025435941.db2.gz OPNDKYWPYOMSHL-VQIMIIECSA-N 0 1 301.430 3.563 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886008526 1025435949 /nfs/dbraw/zinc/43/59/49/1025435949.db2.gz OPNDKYWPYOMSHL-VQIMIIECSA-N 0 1 301.430 3.563 20 10 DHCDMN Cc1ccnc(N)c1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000893864687 1025578047 /nfs/dbraw/zinc/57/80/47/1025578047.db2.gz YUHDNIQWSUTFRO-UHFFFAOYSA-N 0 1 324.472 3.595 20 10 DHCDMN CC(C)SCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000806168168 1025795204 /nfs/dbraw/zinc/79/52/04/1025795204.db2.gz VZUFNBBEHXYMPH-SNVBAGLBSA-N 0 1 318.280 3.947 20 10 DHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C ZINC000807840661 1026124736 /nfs/dbraw/zinc/12/47/36/1026124736.db2.gz HOFFHLUBBKBTGC-QMMMGPOBSA-N 0 1 304.217 3.997 20 10 DHCDMN Cc1coc(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836451 1026129542 /nfs/dbraw/zinc/12/95/42/1026129542.db2.gz XIBXHRVSFHRVOQ-UHFFFAOYSA-N 0 1 314.168 3.839 20 10 DHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)o1 ZINC000807835609 1026129653 /nfs/dbraw/zinc/12/96/53/1026129653.db2.gz JPPQDHJSVQPKRU-UHFFFAOYSA-N 0 1 314.168 3.839 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC12CCC2 ZINC000807838548 1026131970 /nfs/dbraw/zinc/13/19/70/1026131970.db2.gz WTUGFDILPKPQKD-JTQLQIEISA-N 0 1 300.185 3.505 20 10 DHCDMN Cn1ncc2c1nccc2NCc1cc(Cl)cc(Cl)c1O ZINC000808089902 1026202081 /nfs/dbraw/zinc/20/20/81/1026202081.db2.gz MNOIAOZQWREYQR-UHFFFAOYSA-N 0 1 323.183 3.593 20 10 DHCDMN C[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805320439 1026352415 /nfs/dbraw/zinc/35/24/15/1026352415.db2.gz IZAGPYIZTGQKNK-KCJUWKMLSA-N 0 1 317.216 3.687 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213523 1026708262 /nfs/dbraw/zinc/70/82/62/1026708262.db2.gz UQOUUKVQEWXOJR-TZMCWYRMSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222394 1026711185 /nfs/dbraw/zinc/71/11/85/1026711185.db2.gz RZTWLXUSCSHVAM-FZMZJTMJSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223056 1026711556 /nfs/dbraw/zinc/71/15/56/1026711556.db2.gz HCZFDSJIDVBGOL-GXFFZTMASA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CC)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220365 1026711669 /nfs/dbraw/zinc/71/16/69/1026711669.db2.gz WDYQMPVHAREBFH-WCQYABFASA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224879 1026713490 /nfs/dbraw/zinc/71/34/90/1026713490.db2.gz ZNPKOUWDAWOAED-DGCLKSJQSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240167 1026725013 /nfs/dbraw/zinc/72/50/13/1026725013.db2.gz PXSBGYIEJGUHGI-SMDDNHRTSA-N 0 1 319.367 3.716 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238204 1026725995 /nfs/dbraw/zinc/72/59/95/1026725995.db2.gz OFDBFBRTSDNVLF-DDTOSNHZSA-N 0 1 317.351 3.877 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1C1CC1 ZINC000811513918 1027028222 /nfs/dbraw/zinc/02/82/22/1027028222.db2.gz VUOOTQRCEQENNE-CQSZACIVSA-N 0 1 310.235 3.775 20 10 DHCDMN CC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000812297305 1027248114 /nfs/dbraw/zinc/24/81/14/1027248114.db2.gz ZGPUECZIQHVBSX-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN CC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCOC1 ZINC000812297305 1027248127 /nfs/dbraw/zinc/24/81/27/1027248127.db2.gz ZGPUECZIQHVBSX-CQSZACIVSA-N 0 1 311.381 3.902 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000809757812 1027435358 /nfs/dbraw/zinc/43/53/58/1027435358.db2.gz SUPSEIUQMQWDCP-INIZCTEOSA-N 0 1 317.408 3.989 20 10 DHCDMN C=C/C(C)=C/CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682462 1027695581 /nfs/dbraw/zinc/69/55/81/1027695581.db2.gz FCBVPIVOXJGXKL-RUDMXATFSA-N 0 1 300.185 3.838 20 10 DHCDMN Oc1ccc(F)cc1CN1CCSC[C@H]1c1ccccc1 ZINC000778996026 1027747993 /nfs/dbraw/zinc/74/79/93/1027747993.db2.gz KJHGJQIDDVDBOE-INIZCTEOSA-N 0 1 303.402 3.821 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@@H]1c1ccncc1 ZINC000814227918 1027960630 /nfs/dbraw/zinc/96/06/30/1027960630.db2.gz PVLHDEFMXOASEA-LJQANCHMSA-N 0 1 308.425 3.859 20 10 DHCDMN COc1ccc(O)c([C@H](C)N2CCC[C@@H]2c2cc(C)on2)c1 ZINC000368046116 1028288359 /nfs/dbraw/zinc/28/83/59/1028288359.db2.gz YOFHHVCOFXQUST-BLLLJJGKSA-N 0 1 302.374 3.595 20 10 DHCDMN Cc1ccc([C@H](NCc2ccccc2O)c2ccccn2)cc1 ZINC000370033412 1028556082 /nfs/dbraw/zinc/55/60/82/1028556082.db2.gz PGSRQSMMJCDHKZ-FQEVSTJZSA-N 0 1 304.393 3.975 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000372518972 1028866346 /nfs/dbraw/zinc/86/63/46/1028866346.db2.gz XOUAPYURVFTGEM-ZBFHGGJFSA-N 0 1 303.427 3.978 20 10 DHCDMN COc1ccc(F)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000816477722 1028886482 /nfs/dbraw/zinc/88/64/82/1028886482.db2.gz IBTQXMGIAKNWSB-UHFFFAOYSA-N 0 1 302.393 3.532 20 10 DHCDMN Cc1noc(C2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816491558 1028896634 /nfs/dbraw/zinc/89/66/34/1028896634.db2.gz QHSIZBRFOTWWPT-UHFFFAOYSA-N 0 1 323.396 3.616 20 10 DHCDMN COCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816490623 1028900173 /nfs/dbraw/zinc/90/01/73/1028900173.db2.gz ZTALHEKIJOTVOK-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816492977 1028900304 /nfs/dbraw/zinc/90/03/04/1028900304.db2.gz KSVLLOAWWSAXSC-LBPRGKRZSA-N 0 1 323.795 3.568 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508310 1028912828 /nfs/dbraw/zinc/91/28/28/1028912828.db2.gz IRRBPKGPTOMBLH-LLVKDONJSA-N 0 1 323.795 3.953 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CCO)c1ccccc1 ZINC000816512832 1028914485 /nfs/dbraw/zinc/91/44/85/1028914485.db2.gz WLMXLAUWPBWKSN-INIZCTEOSA-N 0 1 323.795 3.740 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548457 1028928571 /nfs/dbraw/zinc/92/85/71/1028928571.db2.gz IKDTZKVGEPYCTA-CQSZACIVSA-N 0 1 307.393 3.972 20 10 DHCDMN Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549870 1028928593 /nfs/dbraw/zinc/92/85/93/1028928593.db2.gz AQQRZMLQBCRVBC-SFHVURJKSA-N 0 1 319.408 3.811 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521706 1028932759 /nfs/dbraw/zinc/93/27/59/1028932759.db2.gz XBSYGDLHACIQTL-FUHWJXTLSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521706 1028932767 /nfs/dbraw/zinc/93/27/67/1028932767.db2.gz XBSYGDLHACIQTL-FUHWJXTLSA-N 0 1 311.425 3.794 20 10 DHCDMN COc1cc(CC[NH2+]Cc2ccc3ccccc3c2[O-])ccc1O ZINC000816551405 1028932790 /nfs/dbraw/zinc/93/27/90/1028932790.db2.gz ALCHUFFWCQLVIW-UHFFFAOYSA-N 0 1 323.392 3.592 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599411 1028955628 /nfs/dbraw/zinc/95/56/28/1028955628.db2.gz LUZMWBZRPCFGJO-MRXNPFEDSA-N 0 1 304.393 3.930 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc2ccccc21 ZINC000816599411 1028955636 /nfs/dbraw/zinc/95/56/36/1028955636.db2.gz LUZMWBZRPCFGJO-MRXNPFEDSA-N 0 1 304.393 3.930 20 10 DHCDMN [O-]c1c(C[NH+]2CCC3(CCOCC3)CC2)ccc2ccccc21 ZINC000816603548 1028957078 /nfs/dbraw/zinc/95/70/78/1028957078.db2.gz KRCXMQRIWMSIDU-UHFFFAOYSA-N 0 1 311.425 3.938 20 10 DHCDMN Cc1cccc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816608128 1028961435 /nfs/dbraw/zinc/96/14/35/1028961435.db2.gz PXNJXGNKTZJFOU-UHFFFAOYSA-N 0 1 306.409 3.971 20 10 DHCDMN [O-]c1c(C[NH2+]CC[C@@H](O)c2ccccc2)ccc2ccccc21 ZINC000816611768 1028963306 /nfs/dbraw/zinc/96/33/06/1028963306.db2.gz WYZNZBGGMSHBBA-LJQANCHMSA-N 0 1 307.393 3.759 20 10 DHCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816617402 1028963846 /nfs/dbraw/zinc/96/38/46/1028963846.db2.gz XVSADEOOIJGALD-SNVBAGLBSA-N 0 1 303.830 3.760 20 10 DHCDMN C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2C1 ZINC000816617836 1028964195 /nfs/dbraw/zinc/96/41/95/1028964195.db2.gz JTYCQFFIKQZVRF-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN C[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2C1 ZINC000816617836 1028964211 /nfs/dbraw/zinc/96/42/11/1028964211.db2.gz JTYCQFFIKQZVRF-UHFFFAOYSA-N 0 1 320.795 3.637 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000816613806 1028966283 /nfs/dbraw/zinc/96/62/83/1028966283.db2.gz FVCGCBCXOJHIGO-GJZGRUSLSA-N 0 1 313.800 3.574 20 10 DHCDMN Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])CCC2 ZINC000373254866 1028989894 /nfs/dbraw/zinc/98/98/94/1028989894.db2.gz HDUSQRWOYWURQH-OLZOCXBDSA-N 0 1 319.836 3.779 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667802 1028991370 /nfs/dbraw/zinc/99/13/70/1028991370.db2.gz XKJPUOZYRJZJJA-CQSZACIVSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667802 1028991388 /nfs/dbraw/zinc/99/13/88/1028991388.db2.gz XKJPUOZYRJZJJA-CQSZACIVSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667802 1028991405 /nfs/dbraw/zinc/99/14/05/1028991405.db2.gz XKJPUOZYRJZJJA-CQSZACIVSA-N 0 1 313.800 3.576 20 10 DHCDMN CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779346119 1029170276 /nfs/dbraw/zinc/17/02/76/1029170276.db2.gz UZAIMCUGTKBNAI-SFHVURJKSA-N 0 1 319.399 3.913 20 10 DHCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000155255707 1029213723 /nfs/dbraw/zinc/21/37/23/1029213723.db2.gz IHPSAIBXMZANKN-GOSISDBHSA-N 0 1 317.816 3.928 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954954 1029294837 /nfs/dbraw/zinc/29/48/37/1029294837.db2.gz NLAJGDZPLMNFLY-HOTGVXAUSA-N 0 1 304.821 3.786 20 10 DHCDMN CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(Cl)ccc1[O-] ZINC000817958728 1029296472 /nfs/dbraw/zinc/29/64/72/1029296472.db2.gz XQGAYRIGPXPJIB-INIZCTEOSA-N 0 1 304.821 3.911 20 10 DHCDMN Cc1cnc([C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)s1 ZINC000374894055 1029489528 /nfs/dbraw/zinc/48/95/28/1029489528.db2.gz KCYCDQZYCBHUFW-ZDUSSCGKSA-N 0 1 306.406 3.676 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@](C)(O)c1ccccc1 ZINC000822520514 1030042672 /nfs/dbraw/zinc/04/26/72/1030042672.db2.gz DYFZSCKJDWIOSR-KRWDZBQOSA-N 0 1 323.795 3.524 20 10 DHCDMN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000866513608 1030339955 /nfs/dbraw/zinc/33/99/55/1030339955.db2.gz WVBZYWUUOFUTAP-BNLOLNQZSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000866513610 1030340636 /nfs/dbraw/zinc/34/06/36/1030340636.db2.gz WVBZYWUUOFUTAP-PLQHRBFRSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866528071 1030345164 /nfs/dbraw/zinc/34/51/64/1030345164.db2.gz BDBVJYRKWYVCBF-OLZOCXBDSA-N 0 1 309.837 3.903 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000866528247 1030347167 /nfs/dbraw/zinc/34/71/67/1030347167.db2.gz CIPVXBUJULJMRO-VNHYZAJKSA-N 0 1 319.420 3.876 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000866528245 1030347524 /nfs/dbraw/zinc/34/75/24/1030347524.db2.gz CIPVXBUJULJMRO-NFAWXSAZSA-N 0 1 319.420 3.876 20 10 DHCDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(N(C)C)cc1 ZINC000777566188 1030411858 /nfs/dbraw/zinc/41/18/58/1030411858.db2.gz JVWXMKQOLFXVJO-IBGZPJMESA-N 0 1 321.428 3.897 20 10 DHCDMN C[C@@H](c1cc(Cl)ccc1O)N1CCOc2ccc(N)cc2C1 ZINC000925754192 1030483420 /nfs/dbraw/zinc/48/34/20/1030483420.db2.gz MEMYABUXKIHMCR-NSHDSACASA-N 0 1 318.804 3.583 20 10 DHCDMN Oc1cc2c(cc1CN1CCO[C@@H](c3ccsc3)C1)CCC2 ZINC000122186552 1030590463 /nfs/dbraw/zinc/59/04/63/1030590463.db2.gz WFNKCVNMNULGGI-GOSISDBHSA-N 0 1 315.438 3.516 20 10 DHCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636113 1030597291 /nfs/dbraw/zinc/59/72/91/1030597291.db2.gz LVXGCQAUGUCLAG-MJGOQNOKSA-N 0 1 311.425 3.652 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824697026 1030601831 /nfs/dbraw/zinc/60/18/31/1030601831.db2.gz YANNKMKNHXJYID-BFYDXBDKSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824697026 1030601844 /nfs/dbraw/zinc/60/18/44/1030601844.db2.gz YANNKMKNHXJYID-BFYDXBDKSA-N 0 1 309.837 3.561 20 10 DHCDMN Cn1ccnc1[C@@H]1N(Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824620697 1030602783 /nfs/dbraw/zinc/60/27/83/1030602783.db2.gz ZNYIAZRRMJMTAT-AWEZNQCLSA-N 0 1 323.799 3.501 20 10 DHCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)cn1 ZINC001136929504 1030621790 /nfs/dbraw/zinc/62/17/90/1030621790.db2.gz NNAVFJVLHQUGNM-UHFFFAOYSA-N 0 1 315.848 3.967 20 10 DHCDMN COc1cc(Cl)cc(CNc2ccc3c(n2)CCC3)c1O ZINC000825124672 1030731845 /nfs/dbraw/zinc/73/18/45/1030731845.db2.gz VUXGYOVKYWBNCZ-UHFFFAOYSA-N 0 1 304.777 3.550 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCCCNc2ccccn2)cc1Cl ZINC000825214406 1030747870 /nfs/dbraw/zinc/74/78/70/1030747870.db2.gz FMEPPQVKMRBMGG-UHFFFAOYSA-N 0 1 319.836 3.731 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000825232046 1030756437 /nfs/dbraw/zinc/75/64/37/1030756437.db2.gz LLYSPSFZCZSZQB-ZLKJLUDKSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3c2cccc3O)cc1Cl ZINC000825253661 1030762242 /nfs/dbraw/zinc/76/22/42/1030762242.db2.gz JJPQUNZTTQCHAY-HNNXBMFYSA-N 0 1 303.789 3.837 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](CCO)c2cccs2)cc1Cl ZINC000825291677 1030767418 /nfs/dbraw/zinc/76/74/18/1030767418.db2.gz OPEQFSVOWSHGOV-CYBMUJFWSA-N 0 1 311.834 3.629 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000825321166 1030775990 /nfs/dbraw/zinc/77/59/90/1030775990.db2.gz UAAHUWGDAXUHMD-DAXOMENPSA-N 0 1 309.837 3.647 20 10 DHCDMN COC[C@@H](NCc1cc(Cl)c(C)cc1O)c1ccc(C)o1 ZINC000825325517 1030776066 /nfs/dbraw/zinc/77/60/66/1030776066.db2.gz GWABNYVJVCRIJE-CQSZACIVSA-N 0 1 309.793 3.733 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000825332194 1030777034 /nfs/dbraw/zinc/77/70/34/1030777034.db2.gz XLQRTLHJQUTYGV-PIGZYNQJSA-N 0 1 323.795 3.705 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000825341738 1030780554 /nfs/dbraw/zinc/78/05/54/1030780554.db2.gz RARIGSAOJVTSRF-AWEZNQCLSA-N 0 1 309.837 3.935 20 10 DHCDMN COc1cccc([C@@H](C)NCc2nc3c(s2)CCCC3)c1O ZINC000926921094 1030997722 /nfs/dbraw/zinc/99/77/22/1030997722.db2.gz YPHUJXRERWOEKZ-LLVKDONJSA-N 0 1 318.442 3.587 20 10 DHCDMN C[C@@H](NCc1cc(C2CC2)n(C)n1)c1cc(Cl)ccc1O ZINC000927107121 1031091333 /nfs/dbraw/zinc/09/13/33/1031091333.db2.gz CSJFKHBMFTYXRC-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN CCn1cc(C[N@H+](Cc2c([O-])ccc3ccncc32)C(C)C)cn1 ZINC000844740903 1031311417 /nfs/dbraw/zinc/31/14/17/1031311417.db2.gz ZSIHFEYDNMVKIO-UHFFFAOYSA-N 0 1 324.428 3.567 20 10 DHCDMN CCn1cc(C[N@@H+](Cc2c([O-])ccc3ccncc32)C(C)C)cn1 ZINC000844740903 1031311429 /nfs/dbraw/zinc/31/14/29/1031311429.db2.gz ZSIHFEYDNMVKIO-UHFFFAOYSA-N 0 1 324.428 3.567 20 10 DHCDMN Oc1cc(F)c(Br)cc1CN1CCCC[C@H](F)C1 ZINC001144298433 1031437142 /nfs/dbraw/zinc/43/71/42/1031437142.db2.gz DJYZBRXNDSIKDE-JTQLQIEISA-N 0 1 320.177 3.618 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC2CCC1CC2 ZINC001144306642 1031455497 /nfs/dbraw/zinc/45/54/97/1031455497.db2.gz KNYJWLXMEZRPCE-UHFFFAOYSA-N 0 1 314.198 3.668 20 10 DHCDMN COc1cc(Cl)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001144489577 1031640680 /nfs/dbraw/zinc/64/06/80/1031640680.db2.gz JKDPQPBZARPNJN-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1Cl ZINC000825635236 1031672297 /nfs/dbraw/zinc/67/22/97/1031672297.db2.gz XZQKPVAOIVCEHY-KRWDZBQOSA-N 0 1 309.837 3.745 20 10 DHCDMN CCn1ncc(NCc2cc(Cl)cc(Cl)c2O)c1C ZINC000873196314 1031755074 /nfs/dbraw/zinc/75/50/74/1031755074.db2.gz SLYUBKRKQRBQGD-UHFFFAOYSA-N 0 1 300.189 3.836 20 10 DHCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000845972963 1031788322 /nfs/dbraw/zinc/78/83/22/1031788322.db2.gz SUOHTWQPTFDPIT-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN Cc1cc(O)c(CN[C@@H](c2ccccc2F)[C@H](C)O)c(Cl)c1 ZINC000846014895 1031809277 /nfs/dbraw/zinc/80/92/77/1031809277.db2.gz UTMQKXBTBHYPMA-APPDUMDISA-N 0 1 323.795 3.705 20 10 DHCDMN COc1c(C)cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1C ZINC000846058186 1031818919 /nfs/dbraw/zinc/81/89/19/1031818919.db2.gz NFLPMNACEJNCAR-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1Cl ZINC000897970452 1031885156 /nfs/dbraw/zinc/88/51/56/1031885156.db2.gz JTFRYROXSBRSJP-UHFFFAOYSA-N 0 1 309.837 3.791 20 10 DHCDMN CC[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000898009889 1031908065 /nfs/dbraw/zinc/90/80/65/1031908065.db2.gz AZZXDIRXCQMCER-MMWSSPAHSA-N 0 1 317.351 3.613 20 10 DHCDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527370 1031910978 /nfs/dbraw/zinc/91/09/78/1031910978.db2.gz SMISFEFFCRDAOQ-GORDUTHDSA-N 0 1 304.340 3.601 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071983 1031942977 /nfs/dbraw/zinc/94/29/77/1031942977.db2.gz WTNJIRJSFYVZMS-NSHDSACASA-N 0 1 308.834 3.567 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071983 1031942985 /nfs/dbraw/zinc/94/29/85/1031942985.db2.gz WTNJIRJSFYVZMS-NSHDSACASA-N 0 1 308.834 3.567 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cnn(CC2CCC2)c1 ZINC000898178180 1031978720 /nfs/dbraw/zinc/97/87/20/1031978720.db2.gz YQSNWUXXRWAYQT-LBPRGKRZSA-N 0 1 319.836 3.893 20 10 DHCDMN CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(F)c(F)c1O ZINC000877847672 1033483700 /nfs/dbraw/zinc/48/37/00/1033483700.db2.gz CCJPSWCNIJBFGM-AWEZNQCLSA-N 0 1 324.714 3.520 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)co2)c1 ZINC000878360561 1033672487 /nfs/dbraw/zinc/67/24/87/1033672487.db2.gz OOUSLERMVOMSME-VIFPVBQESA-N 0 1 315.291 3.863 20 10 DHCDMN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1Cl ZINC000878455015 1033714399 /nfs/dbraw/zinc/71/43/99/1033714399.db2.gz MSXOPSJWZKQPMB-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000826062911 1033781722 /nfs/dbraw/zinc/78/17/22/1033781722.db2.gz YMSRSYBRMBOMQV-CXAGYDPISA-N 0 1 311.853 3.895 20 10 DHCDMN CSC[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862373993 1033833619 /nfs/dbraw/zinc/83/36/19/1033833619.db2.gz JMYSYBQHWYUFKE-GFCCVEGCSA-N 0 1 314.445 3.606 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482676 1033865679 /nfs/dbraw/zinc/86/56/79/1033865679.db2.gz KWAAUSQVHMNSDN-GOSISDBHSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482676 1033865683 /nfs/dbraw/zinc/86/56/83/1033865683.db2.gz KWAAUSQVHMNSDN-GOSISDBHSA-N 0 1 317.816 3.529 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnc(C)s2)c1[O-] ZINC000879251057 1033965104 /nfs/dbraw/zinc/96/51/04/1033965104.db2.gz CJIXWFQXTJZXTF-MRVPVSSYSA-N 0 1 324.833 3.864 20 10 DHCDMN C[C@@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1O ZINC000879649335 1034072680 /nfs/dbraw/zinc/07/26/80/1034072680.db2.gz NQGPEARDJRTAFE-MRVPVSSYSA-N 0 1 302.321 3.718 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826142375 1034212970 /nfs/dbraw/zinc/21/29/70/1034212970.db2.gz ANQVFCYMLSQKMW-CQSZACIVSA-N 0 1 301.764 3.975 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000826142375 1034212978 /nfs/dbraw/zinc/21/29/78/1034212978.db2.gz ANQVFCYMLSQKMW-CQSZACIVSA-N 0 1 301.764 3.975 20 10 DHCDMN COc1nccc2c(NCc3ccc(F)c(F)c3O)cccc21 ZINC000864015385 1034256356 /nfs/dbraw/zinc/25/63/56/1034256356.db2.gz NFHLPQLZWYKPGU-UHFFFAOYSA-N 0 1 316.307 3.839 20 10 DHCDMN Oc1c(CNc2ccccc2N2CCCC2)ccc(F)c1F ZINC000864018604 1034257907 /nfs/dbraw/zinc/25/79/07/1034257907.db2.gz YXLLSYPUQSYROU-UHFFFAOYSA-N 0 1 304.340 3.883 20 10 DHCDMN COC(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1C ZINC000864036487 1034269091 /nfs/dbraw/zinc/26/90/91/1034269091.db2.gz XHIDKNSSVOHXCA-UHFFFAOYSA-N 0 1 322.311 3.769 20 10 DHCDMN Oc1c(CNc2cccc(-c3cc[nH]n3)c2)ccc(F)c1F ZINC000864043512 1034271652 /nfs/dbraw/zinc/27/16/52/1034271652.db2.gz QIRSBSSGPOGGSO-UHFFFAOYSA-N 0 1 301.296 3.673 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663713 1034321885 /nfs/dbraw/zinc/32/18/85/1034321885.db2.gz VDFDRAFSPCZBRD-QMTHXVAHSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000794663713 1034321897 /nfs/dbraw/zinc/32/18/97/1034321897.db2.gz VDFDRAFSPCZBRD-QMTHXVAHSA-N 0 1 310.319 3.713 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1cccnc1 ZINC000184883207 1034508075 /nfs/dbraw/zinc/50/80/75/1034508075.db2.gz VNNVIFCCXCKJTN-QWRGUYRKSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000185121501 1034531113 /nfs/dbraw/zinc/53/11/13/1034531113.db2.gz ZFAFLCFAJKBMOI-JTQLQIEISA-N 0 1 309.768 3.528 20 10 DHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185349717 1034542204 /nfs/dbraw/zinc/54/22/04/1034542204.db2.gz XPSTUCUCUYVGRC-QWHCGFSZSA-N 0 1 309.413 3.999 20 10 DHCDMN CCc1nc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000185426465 1034546651 /nfs/dbraw/zinc/54/66/51/1034546651.db2.gz UHCLZPDJJSXGJI-MNOVXSKESA-N 0 1 306.431 3.832 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2ccc(C)cc2O)o1 ZINC000185548523 1034557901 /nfs/dbraw/zinc/55/79/01/1034557901.db2.gz WAFKCFGQRQOVIN-CJNGLKHVSA-N 0 1 303.402 3.894 20 10 DHCDMN CC[C@@H](N[C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534136 1034638870 /nfs/dbraw/zinc/63/88/70/1034638870.db2.gz HVSSIWUCVFZPPO-IAGOWNOFSA-N 0 1 302.418 3.510 20 10 DHCDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001177449338 1035369213 /nfs/dbraw/zinc/36/92/13/1035369213.db2.gz BOCNDLGMLGTMFK-KRWDZBQOSA-N 0 1 305.805 3.831 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CN2CCC(C)CC2)c(Cl)c1 ZINC001179148810 1035467434 /nfs/dbraw/zinc/46/74/34/1035467434.db2.gz WDIUPFMXJVJGDB-CQSZACIVSA-N 0 1 310.869 3.564 20 10 DHCDMN Cc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(O)c1 ZINC001179914023 1035546988 /nfs/dbraw/zinc/54/69/88/1035546988.db2.gz QLUPZKVFKIMCQT-UHFFFAOYSA-N 0 1 312.369 3.773 20 10 DHCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)c1cccc(O)c1 ZINC001180240017 1035631040 /nfs/dbraw/zinc/63/10/40/1035631040.db2.gz RWEPEYPSZCVRHL-NSHDSACASA-N 0 1 307.340 3.959 20 10 DHCDMN CC(C)(C)Cc1cc(NC(=O)c2cc(O)c(O)c(Cl)c2)on1 ZINC001193589266 1035668187 /nfs/dbraw/zinc/66/81/87/1035668187.db2.gz GNSNRZUMOUEMBW-UHFFFAOYSA-N 0 1 324.764 3.580 20 10 DHCDMN CN(C(=O)c1cc(O)c(O)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC001193611923 1035678208 /nfs/dbraw/zinc/67/82/08/1035678208.db2.gz JQTFRRDPDWROAX-AWEZNQCLSA-N 0 1 317.772 3.511 20 10 DHCDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc21 ZINC001193626630 1035680405 /nfs/dbraw/zinc/68/04/05/1035680405.db2.gz YJTCDUMXNNRLJW-LKFCYVNXSA-N 0 1 317.772 3.730 20 10 DHCDMN COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000775647299 1036174745 /nfs/dbraw/zinc/17/47/45/1036174745.db2.gz RQZVYZGZGODXNO-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN COc1ccc(Cl)cc1CN(C)Cc1cccc(C)c1O ZINC000775647299 1036174758 /nfs/dbraw/zinc/17/47/58/1036174758.db2.gz RQZVYZGZGODXNO-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1Cl ZINC001204335061 1036218246 /nfs/dbraw/zinc/21/82/46/1036218246.db2.gz OLACSFNRJAWYOB-KRWDZBQOSA-N 0 1 319.832 3.910 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1Cl ZINC001204335061 1036218257 /nfs/dbraw/zinc/21/82/57/1036218257.db2.gz OLACSFNRJAWYOB-KRWDZBQOSA-N 0 1 319.832 3.910 20 10 DHCDMN C[C@]1(C[NH3+])CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206540474 1036440425 /nfs/dbraw/zinc/44/04/25/1036440425.db2.gz BSAOHSQYMJKPJX-OAHLLOKOSA-N 0 1 317.260 3.650 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1Cl ZINC001182942409 1036485517 /nfs/dbraw/zinc/48/55/17/1036485517.db2.gz UVVPTAPLHYLKEO-QGZVFWFLSA-N 0 1 311.853 3.775 20 10 DHCDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001183093870 1036520626 /nfs/dbraw/zinc/52/06/26/1036520626.db2.gz GLBJIIBSUDJEQV-GFCCVEGCSA-N 0 1 315.816 3.822 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1C ZINC000029894394 1036553269 /nfs/dbraw/zinc/55/32/69/1036553269.db2.gz UBUVJKFYIVKBAX-IBGZPJMESA-N 0 1 315.388 3.722 20 10 DHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001183410936 1036582086 /nfs/dbraw/zinc/58/20/86/1036582086.db2.gz XSCVFCCKFDIWME-SFHVURJKSA-N 0 1 303.352 3.992 20 10 DHCDMN CC[N@H+](CCN1CCCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580221 1036720731 /nfs/dbraw/zinc/72/07/31/1036720731.db2.gz LVFPAHJBPBIQQH-UHFFFAOYSA-N 0 1 317.260 3.617 20 10 DHCDMN CC[N@@H+](CCN1CCCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580221 1036720753 /nfs/dbraw/zinc/72/07/53/1036720753.db2.gz LVFPAHJBPBIQQH-UHFFFAOYSA-N 0 1 317.260 3.617 20 10 DHCDMN Oc1c(CNc2nc3ccccc3n2C2CC2)ccc(F)c1F ZINC001184461937 1036852971 /nfs/dbraw/zinc/85/29/71/1036852971.db2.gz GSCBZSALTDNJFJ-UHFFFAOYSA-N 0 1 315.323 3.967 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774909521 1037202487 /nfs/dbraw/zinc/20/24/87/1037202487.db2.gz REXKHALQOKHCJD-CQSZACIVSA-N 0 1 322.405 3.710 20 10 DHCDMN CCOc1cccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1O ZINC000776013972 1037303226 /nfs/dbraw/zinc/30/32/26/1037303226.db2.gz PMSHNBLPQNSOBK-UHFFFAOYSA-N 0 1 309.409 3.838 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOc1ccc(F)cc1 ZINC000776112463 1037443636 /nfs/dbraw/zinc/44/36/36/1037443636.db2.gz VALYHMROCSGGBS-UHFFFAOYSA-N 0 1 309.768 3.743 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001203658390 1037617261 /nfs/dbraw/zinc/61/72/61/1037617261.db2.gz SYEOZRHGGVURBK-ZDUSSCGKSA-N 0 1 302.805 3.820 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001203658390 1037617267 /nfs/dbraw/zinc/61/72/67/1037617267.db2.gz SYEOZRHGGVURBK-ZDUSSCGKSA-N 0 1 302.805 3.820 20 10 DHCDMN CCc1cnc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825320115 1037628473 /nfs/dbraw/zinc/62/84/73/1037628473.db2.gz HFCMXXSUZSDKCR-UHFFFAOYSA-N 0 1 310.850 3.705 20 10 DHCDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)Cc2ccccc2C1 ZINC001201450431 1037704398 /nfs/dbraw/zinc/70/43/98/1037704398.db2.gz VDPRCGCZGIQARO-UHFFFAOYSA-N 0 1 301.817 3.940 20 10 DHCDMN Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)ccc3[O-])nc21 ZINC000776220002 1037927749 /nfs/dbraw/zinc/92/77/49/1037927749.db2.gz UFXDDBAVLHCHBU-UHFFFAOYSA-N 0 1 316.788 3.828 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ccccc1Cl ZINC000776252997 1038068985 /nfs/dbraw/zinc/06/89/85/1038068985.db2.gz KKZHUTHOKTTWKD-UHFFFAOYSA-N 0 1 312.196 3.868 20 10 DHCDMN CCn1c(CN[C@@H](C)c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000775363285 1038275847 /nfs/dbraw/zinc/27/58/47/1038275847.db2.gz MFEJTUHGTPZMLW-HNNXBMFYSA-N 0 1 322.456 3.973 20 10 DHCDMN CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001190904202 1038406453 /nfs/dbraw/zinc/40/64/53/1038406453.db2.gz KWTDIQYOSWXHCT-GOSISDBHSA-N 0 1 305.462 3.934 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000775484999 1038543176 /nfs/dbraw/zinc/54/31/76/1038543176.db2.gz LZKYYWDFYSNRRM-OAHLLOKOSA-N 0 1 315.804 3.934 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483460 1038551248 /nfs/dbraw/zinc/55/12/48/1038551248.db2.gz WBRCMYXJWAYTPF-HUUCEWRRSA-N 0 1 322.836 3.982 20 10 DHCDMN CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775501275 1038585977 /nfs/dbraw/zinc/58/59/77/1038585977.db2.gz FJSJALDYBXUONB-MRXNPFEDSA-N 0 1 310.869 3.961 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775502174 1038591663 /nfs/dbraw/zinc/59/16/63/1038591663.db2.gz PMNFYEZYHWJCRK-WBVHZDCISA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@H]([NH2+]CCCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775511697 1038606206 /nfs/dbraw/zinc/60/62/06/1038606206.db2.gz HTZNHRMXNIFOQI-HNNXBMFYSA-N 0 1 319.836 3.984 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000775513862 1038608008 /nfs/dbraw/zinc/60/80/08/1038608008.db2.gz VJLHLNOWLZVHHJ-RLCCDNCMSA-N 0 1 308.853 3.569 20 10 DHCDMN CCC(CC)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)OC ZINC000760883664 1038959776 /nfs/dbraw/zinc/95/97/76/1038959776.db2.gz NOBYXLSVSCAHPG-NSHDSACASA-N 0 1 313.825 3.676 20 10 DHCDMN COc1cc(O)c(CN2CCCC[C@@](C)(F)C2)cc1Cl ZINC001232263783 1039009603 /nfs/dbraw/zinc/00/96/03/1039009603.db2.gz AAPONBZYLQKKOG-OAHLLOKOSA-N 0 1 301.789 3.768 20 10 DHCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000230698490 1039959005 /nfs/dbraw/zinc/95/90/05/1039959005.db2.gz AZPGBVUPLYDSDS-NWDGAFQWSA-N 0 1 316.264 3.528 20 10 DHCDMN CC[C@H](NCc1cc(Cl)cc(OC)c1O)c1nccs1 ZINC000228675151 1041050017 /nfs/dbraw/zinc/05/00/17/1041050017.db2.gz NVUXCJIGJRKNDG-NSHDSACASA-N 0 1 312.822 3.752 20 10 DHCDMN CCOCCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000019962987 182170715 /nfs/dbraw/zinc/17/07/15/182170715.db2.gz FYMXKXTXQACACA-ZDUSSCGKSA-N 0 1 316.239 3.622 20 10 DHCDMN COCC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272323320 130019956 /nfs/dbraw/zinc/01/99/56/130019956.db2.gz QPAMFHFYHOGBTO-QGZVFWFLSA-N 0 1 302.418 3.521 20 10 DHCDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000273425839 130120864 /nfs/dbraw/zinc/12/08/64/130120864.db2.gz UBAGKMIFMXCGKM-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273553554 130134944 /nfs/dbraw/zinc/13/49/44/130134944.db2.gz GLGLXFGFAOHNJV-UWVGGRQHSA-N 0 1 305.249 3.690 20 10 DHCDMN COc1ccc2c(c1)[C@@H]([NH2+]Cc1c([O-])cccc1Cl)CCO2 ZINC000274223971 130220356 /nfs/dbraw/zinc/22/03/56/130220356.db2.gz CEYTYOMTFUNTDX-HNNXBMFYSA-N 0 1 319.788 3.668 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@H](C(F)(F)F)C2)c1O ZINC000184673379 333363838 /nfs/dbraw/zinc/36/38/38/333363838.db2.gz VZKFYUINZBYEBR-JTQLQIEISA-N 0 1 323.742 3.829 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214698 336840369 /nfs/dbraw/zinc/84/03/69/336840369.db2.gz ZUYPNPYEHAQDFI-YGRLFVJLSA-N 0 1 305.324 3.763 20 10 DHCDMN Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000368315897 336842307 /nfs/dbraw/zinc/84/23/07/336842307.db2.gz MXSIQPMSCJDKMM-ZBFHGGJFSA-N 0 1 321.424 3.716 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000368370191 336843234 /nfs/dbraw/zinc/84/32/34/336843234.db2.gz NPZLNDAGYSHHDP-QFYYESIMSA-N 0 1 323.845 3.899 20 10 DHCDMN C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000376952906 337044009 /nfs/dbraw/zinc/04/40/09/337044009.db2.gz BVKDNUXEFZQFQA-JKDFXYPNSA-N 0 1 317.816 3.917 20 10 DHCDMN Cc1cccc(CN[C@H](C)c2nccn2-c2ccccc2)c1O ZINC000377870259 337063066 /nfs/dbraw/zinc/06/30/66/337063066.db2.gz TXWFEZKIEAHLIT-OAHLLOKOSA-N 0 1 307.397 3.737 20 10 DHCDMN Oc1ccccc1CN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000360019778 337083826 /nfs/dbraw/zinc/08/38/26/337083826.db2.gz JJOMFVRVLVUZCI-LBPRGKRZSA-N 0 1 310.180 3.922 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683870 337250015 /nfs/dbraw/zinc/25/00/15/337250015.db2.gz WBFLEKWBIWEHGF-ZFWWWQNUSA-N 0 1 314.433 3.601 20 10 DHCDMN COc1cccc(OC)c1CNCc1c(C)c2ccccc2n1C ZINC000511782123 340338212 /nfs/dbraw/zinc/33/82/12/340338212.db2.gz WUAYMGSSCRPHTL-UHFFFAOYSA-N 0 1 324.424 3.794 20 10 DHCDMN CC[C@H](NCc1cn2ccc(C)cc2n1)c1ccc(N(C)C)cc1 ZINC000268836761 522661922 /nfs/dbraw/zinc/66/19/22/522661922.db2.gz DRXLVTFWDPVWPB-IBGZPJMESA-N 0 1 322.456 3.950 20 10 DHCDMN C[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093843928 522989539 /nfs/dbraw/zinc/98/95/39/522989539.db2.gz LXRNLMBVDUZSAY-UHFFFAOYSA-N 0 1 317.241 3.830 20 10 DHCDMN Cc1cccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000180545819 524410515 /nfs/dbraw/zinc/41/05/15/524410515.db2.gz XFHAZDSCKUFOEO-BBRMVZONSA-N 0 1 303.427 3.724 20 10 DHCDMN COc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)c(OC)c1 ZINC000187832962 524708410 /nfs/dbraw/zinc/70/84/10/524708410.db2.gz CXDROINQSCXXPG-SECBINFHSA-N 0 1 309.312 3.861 20 10 DHCDMN Cc1csc([C@@H](NCc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000266143692 526416593 /nfs/dbraw/zinc/41/65/93/526416593.db2.gz HYYYGTOZTDQQKY-INIZCTEOSA-N 0 1 301.459 3.758 20 10 DHCDMN COCC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624381 536810213 /nfs/dbraw/zinc/81/02/13/536810213.db2.gz YXECOIWOUJZUOS-RHSMWYFYSA-N 0 1 302.418 3.774 20 10 DHCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000737014382 599992608 /nfs/dbraw/zinc/99/26/08/599992608.db2.gz HXQLAGAEOJVXLU-UHFFFAOYSA-N 0 1 313.353 3.588 20 10 DHCDMN C[C@H](c1ccccc1)[N@@H+](CCCC(=O)[O-])Cc1ccccc1O ZINC000833548750 605077647 /nfs/dbraw/zinc/07/76/47/605077647.db2.gz MBYFINILXOHGEC-OAHLLOKOSA-N 0 1 313.397 3.820 20 10 DHCDMN Cc1c2ccccc2n(C)c1C[NH2+][C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594398556 958805643 /nfs/dbraw/zinc/80/56/43/958805643.db2.gz XVSVCFSEJTUMGH-IBGZPJMESA-N 0 1 322.408 3.711 20 10 DHCDMN CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001573566520 959291021 /nfs/dbraw/zinc/29/10/21/959291021.db2.gz IMLFOQXKCBKYIN-MRXNPFEDSA-N 0 1 305.418 3.735 20 10 DHCDMN C[C@@H]1CCCN(c2ccc(CNCc3c[nH]cn3)cc2Cl)C1 ZINC000894663731 1013445130 /nfs/dbraw/zinc/44/51/30/1013445130.db2.gz BFRLHKYGKOHYGX-CYBMUJFWSA-N 0 1 318.852 3.589 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccccc3C3CC3)cc2)CC1 ZINC001167437108 1014411891 /nfs/dbraw/zinc/41/18/91/1014411891.db2.gz LAPYHQBNKUFDLW-UHFFFAOYSA-N 0 1 321.468 3.928 20 10 DHCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595405922 980988621 /nfs/dbraw/zinc/98/86/21/980988621.db2.gz VHYZEXWTXZDWPV-XHDPSFHLSA-N 0 1 318.392 3.636 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595890913 982921908 /nfs/dbraw/zinc/92/19/08/982921908.db2.gz GCOKVSLFUFAXFH-ZDUSSCGKSA-N 0 1 317.385 3.965 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000707129158 1015081970 /nfs/dbraw/zinc/08/19/70/1015081970.db2.gz DORJHBAOGPEWRG-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC2(CCCC2)C1 ZINC000707129158 1015081978 /nfs/dbraw/zinc/08/19/78/1015081978.db2.gz DORJHBAOGPEWRG-UHFFFAOYSA-N 0 1 310.235 3.921 20 10 DHCDMN CC(C)(C[NH2+]Cc1ccc(Br)cc1[O-])CC(F)F ZINC000895530923 1015189772 /nfs/dbraw/zinc/18/97/72/1015189772.db2.gz AKKHFZXLXPDMLJ-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)c(F)cc1O ZINC001598512963 992581742 /nfs/dbraw/zinc/58/17/42/992581742.db2.gz DLNJQSNEUKKFFL-UHFFFAOYSA-N 0 1 323.751 3.515 20 10 DHCDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)c(F)cc1O ZINC001598512963 992581748 /nfs/dbraw/zinc/58/17/48/992581748.db2.gz DLNJQSNEUKKFFL-UHFFFAOYSA-N 0 1 323.751 3.515 20 10 DHCDMN COc1cc(O)c(CN[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000896780137 1015740375 /nfs/dbraw/zinc/74/03/75/1015740375.db2.gz XBYDZIGPCHAOET-JTQLQIEISA-N 0 1 323.339 3.538 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000280888152 1015806856 /nfs/dbraw/zinc/80/68/56/1015806856.db2.gz FLBNMMHQPMWANC-SECBINFHSA-N 0 1 320.177 3.680 20 10 DHCDMN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000277028283 1015853675 /nfs/dbraw/zinc/85/36/75/1015853675.db2.gz DWVIRDWHBCRUIK-ZETCQYMHSA-N 0 1 306.150 3.603 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001167549218 1016384649 /nfs/dbraw/zinc/38/46/49/1016384649.db2.gz LCDYCRQJODBMIB-NRFANRHFSA-N 0 1 324.468 3.943 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277604781 1016761866 /nfs/dbraw/zinc/76/18/66/1016761866.db2.gz ITCWVULNUSVIFT-KSSFIOAISA-N 0 1 317.816 3.913 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3cccnc32)cc1Cl ZINC000897072686 1017023695 /nfs/dbraw/zinc/02/36/95/1017023695.db2.gz XWCRLNRKEBSMQQ-HNNXBMFYSA-N 0 1 302.805 3.916 20 10 DHCDMN COc1ccc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc1C ZINC000934560221 1017067278 /nfs/dbraw/zinc/06/72/78/1017067278.db2.gz BWLKVMLLLHOFJY-OAHLLOKOSA-N 0 1 313.445 3.851 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000073007626 1017086463 /nfs/dbraw/zinc/08/64/63/1017086463.db2.gz KYIUZMCANIRGQA-CYBMUJFWSA-N 0 1 301.434 3.988 20 10 DHCDMN COc1cc(C)cc(CN[C@@H]2COc3c2cccc3Cl)c1O ZINC000894344090 1012946061 /nfs/dbraw/zinc/94/60/61/1012946061.db2.gz LDPWQASNUXSMSI-CQSZACIVSA-N 0 1 319.788 3.586 20 10 DHCDMN CCOc1cccc(CNC(C)(C)c2nc(C)cs2)c1O ZINC000116382225 1017137437 /nfs/dbraw/zinc/13/74/37/1017137437.db2.gz QMDJPGYSWYGEHC-UHFFFAOYSA-N 0 1 306.431 3.581 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897270065 1017221429 /nfs/dbraw/zinc/22/14/29/1017221429.db2.gz WVYRPIOANTVCDC-CQSZACIVSA-N 0 1 309.837 3.684 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(Br)ccc1[O-] ZINC000184845437 1017342024 /nfs/dbraw/zinc/34/20/24/1017342024.db2.gz PIUKPSLFYJBRTH-MNOVXSKESA-N 0 1 321.218 3.962 20 10 DHCDMN Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC000897301291 1017347720 /nfs/dbraw/zinc/34/77/20/1017347720.db2.gz FPIJBRPIYMQSCD-AWEZNQCLSA-N 0 1 302.443 3.530 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857904728 1032711173 /nfs/dbraw/zinc/71/11/73/1032711173.db2.gz NVPFYWRTPYJKHH-MRXNPFEDSA-N 0 1 315.848 3.887 20 10 DHCDMN C[C@H](NCc1ccn(C2CCCC2)n1)c1cc(F)ccc1O ZINC000186138524 1017911859 /nfs/dbraw/zinc/91/18/59/1017911859.db2.gz YPXYDWOSMMAITL-LBPRGKRZSA-N 0 1 303.381 3.694 20 10 DHCDMN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000186143565 1017934294 /nfs/dbraw/zinc/93/42/94/1017934294.db2.gz UBWORYCDCYDUQF-DZGCQCFKSA-N 0 1 301.430 3.993 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC1(F)CCC1 ZINC000702532699 1018215521 /nfs/dbraw/zinc/21/55/21/1018215521.db2.gz MXZPDEIZVDSEOM-UHFFFAOYSA-N 0 1 302.187 3.527 20 10 DHCDMN FC(F)(F)c1cc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000858121095 1032775382 /nfs/dbraw/zinc/77/53/82/1032775382.db2.gz UYLHJWQKVVPABS-UHFFFAOYSA-N 0 1 313.344 3.992 20 10 DHCDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137837916 1018664612 /nfs/dbraw/zinc/66/46/12/1018664612.db2.gz YYIWONJYLWZTSJ-KRWDZBQOSA-N 0 1 301.361 3.877 20 10 DHCDMN CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134937559 1019051367 /nfs/dbraw/zinc/05/13/67/1019051367.db2.gz RMUCXVHSBKEZAA-BDAKNGLRSA-N 0 1 304.253 3.557 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000131470840 1019567612 /nfs/dbraw/zinc/56/76/12/1019567612.db2.gz GFQZUJWJGPJINP-UHFFFAOYSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)CC1CC1 ZINC000732665590 1020267582 /nfs/dbraw/zinc/26/75/82/1020267582.db2.gz JWLFUAKYHONWQR-UHFFFAOYSA-N 0 1 313.397 3.564 20 10 DHCDMN CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)CC1CC1 ZINC000732665590 1020267590 /nfs/dbraw/zinc/26/75/90/1020267590.db2.gz JWLFUAKYHONWQR-UHFFFAOYSA-N 0 1 313.397 3.564 20 10 DHCDMN CN(C)c1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892476927 1020431638 /nfs/dbraw/zinc/43/16/38/1020431638.db2.gz YUZXDJJJJJRPHX-UHFFFAOYSA-N 0 1 319.792 3.604 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000177153888 1020475563 /nfs/dbraw/zinc/47/55/63/1020475563.db2.gz WPODUZQJFBLLEU-UHFFFAOYSA-N 0 1 319.788 3.586 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2O)c1[O-] ZINC000177153888 1020475569 /nfs/dbraw/zinc/47/55/69/1020475569.db2.gz WPODUZQJFBLLEU-UHFFFAOYSA-N 0 1 319.788 3.586 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2O)c1[O-] ZINC000177153888 1020475571 /nfs/dbraw/zinc/47/55/71/1020475571.db2.gz WPODUZQJFBLLEU-UHFFFAOYSA-N 0 1 319.788 3.586 20 10 DHCDMN COc1cc(C)cc(CN2CCC[C@@H]2c2csc(C)n2)c1O ZINC000186863341 1020511493 /nfs/dbraw/zinc/51/14/93/1020511493.db2.gz GAZKCBJRRKZNSL-OAHLLOKOSA-N 0 1 318.442 3.811 20 10 DHCDMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCCO3)CCO2 ZINC000921719499 1020567607 /nfs/dbraw/zinc/56/76/07/1020567607.db2.gz QVEVMRBTMAOBIN-KRWDZBQOSA-N 0 1 313.372 3.764 20 10 DHCDMN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000858485439 1032914852 /nfs/dbraw/zinc/91/48/52/1032914852.db2.gz MXVVMZSLARJNFS-ZBFHGGJFSA-N 0 1 301.430 3.993 20 10 DHCDMN CCOc1ccc(CNC2(c3nccs3)CCCC2)c(O)c1 ZINC000734850880 1020669508 /nfs/dbraw/zinc/66/95/08/1020669508.db2.gz PXKFOVCSJLWGRO-UHFFFAOYSA-N 0 1 318.442 3.807 20 10 DHCDMN C[C@H](N[C@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411275 1020695535 /nfs/dbraw/zinc/69/55/35/1020695535.db2.gz NMAVBTNOBQKMCG-ZANVPECISA-N 0 1 307.752 3.969 20 10 DHCDMN CCc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000735304492 1020716698 /nfs/dbraw/zinc/71/66/98/1020716698.db2.gz HMCOJTVXDZUMPS-UHFFFAOYSA-N 0 1 310.441 3.580 20 10 DHCDMN C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCCO1 ZINC000738158574 1020863242 /nfs/dbraw/zinc/86/32/42/1020863242.db2.gz MPCZPLROZQCBKU-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CCCO1 ZINC000738158574 1020863251 /nfs/dbraw/zinc/86/32/51/1020863251.db2.gz MPCZPLROZQCBKU-ZDUSSCGKSA-N 0 1 311.381 3.902 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C1 ZINC000282130968 1020867464 /nfs/dbraw/zinc/86/74/64/1020867464.db2.gz BKPGJGNBAMSTEV-BXKDBHETSA-N 0 1 304.217 3.698 20 10 DHCDMN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000742377032 1021114395 /nfs/dbraw/zinc/11/43/95/1021114395.db2.gz LUWUZENLRRXUOD-HNNXBMFYSA-N 0 1 319.788 3.668 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001236793730 1021276735 /nfs/dbraw/zinc/27/67/35/1021276735.db2.gz OIMCQURBQYMEJZ-MEBBXXQBSA-N 0 1 318.244 3.682 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001236793731 1021277849 /nfs/dbraw/zinc/27/78/49/1021277849.db2.gz OIMCQURBQYMEJZ-ZUZCIYMTSA-N 0 1 318.244 3.682 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000743385712 1021278821 /nfs/dbraw/zinc/27/88/21/1021278821.db2.gz QHNMUQMUBLDIKU-UHFFFAOYSA-N 0 1 310.319 3.715 20 10 DHCDMN COc1cc(CNCc2nc(C)cs2)c(O)c(C(C)(C)C)c1 ZINC000850023661 1021397451 /nfs/dbraw/zinc/39/74/51/1021397451.db2.gz YBEIXXDWEXIMDV-UHFFFAOYSA-N 0 1 320.458 3.753 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c(Cl)c1 ZINC000850374252 1021497660 /nfs/dbraw/zinc/49/76/60/1021497660.db2.gz LERFLPCYDIXDSZ-DOTOQJQBSA-N 0 1 303.789 3.622 20 10 DHCDMN CC[C@@](C)(NCc1cc(OC)ccc1O)c1nc(C)cs1 ZINC000182226642 1021559085 /nfs/dbraw/zinc/55/90/85/1021559085.db2.gz BUXATCUDRGWUPV-MRXNPFEDSA-N 0 1 306.431 3.581 20 10 DHCDMN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(Cl)cc1[O-] ZINC000850534032 1021587335 /nfs/dbraw/zinc/58/73/35/1021587335.db2.gz FPMPKLIZQBCTNZ-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(Cl)cc1[O-] ZINC000850565971 1021609045 /nfs/dbraw/zinc/60/90/45/1021609045.db2.gz INUUUCUIOYLTIU-SNVBAGLBSA-N 0 1 319.779 3.637 20 10 DHCDMN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000850585201 1021624430 /nfs/dbraw/zinc/62/44/30/1021624430.db2.gz WYPNYXCFUBYWPI-NVGCLXPQSA-N 0 1 305.805 3.818 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2c[nH]nc2C)cc1F ZINC000180508605 1022145140 /nfs/dbraw/zinc/14/51/40/1022145140.db2.gz PVKMIHXDRGQZIV-LBPRGKRZSA-N 0 1 304.413 3.554 20 10 DHCDMN Cc1cc(O)c(CN2CC3(C2)CCCC3)cc1Br ZINC001237682421 1022545112 /nfs/dbraw/zinc/54/51/12/1022545112.db2.gz XLFNPYFCRWTUBQ-UHFFFAOYSA-N 0 1 310.235 3.839 20 10 DHCDMN C[N@@H+](Cc1cccs1)Cc1cccc(Br)c1[O-] ZINC000768160757 1022906659 /nfs/dbraw/zinc/90/66/59/1022906659.db2.gz OIMDSMCGOKKWLN-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN COc1ccc(CN(C)Cc2c(O)cccc2Cl)cc1OC ZINC000768169165 1022909657 /nfs/dbraw/zinc/90/96/57/1022909657.db2.gz QMNWTOVTIOZCMP-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN Cn1cc(CN(Cc2ccccc2O)C2CCCC2)c(Cl)n1 ZINC000857020563 1022922842 /nfs/dbraw/zinc/92/28/42/1022922842.db2.gz AOJWNTGLCPZGJA-UHFFFAOYSA-N 0 1 319.836 3.724 20 10 DHCDMN CCCCN(Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857043939 1022930669 /nfs/dbraw/zinc/93/06/69/1022930669.db2.gz FDUFBEKQFHMALK-UHFFFAOYSA-N 0 1 307.825 3.581 20 10 DHCDMN COc1cc(Cl)cc(CN2CC(Cc3ccsc3)C2)c1O ZINC000857067936 1022939473 /nfs/dbraw/zinc/93/94/73/1022939473.db2.gz JATWOJUMXYTKFU-UHFFFAOYSA-N 0 1 323.845 3.790 20 10 DHCDMN COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000857068939 1022940213 /nfs/dbraw/zinc/94/02/13/1022940213.db2.gz JJGNZDCSUGSHTN-UHFFFAOYSA-N 0 1 320.820 3.698 20 10 DHCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCCC1 ZINC000768442160 1022967166 /nfs/dbraw/zinc/96/71/66/1022967166.db2.gz JRYFEFUMWFKOJZ-SFHVURJKSA-N 0 1 319.445 3.610 20 10 DHCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCCC1 ZINC000768442160 1022967178 /nfs/dbraw/zinc/96/71/78/1022967178.db2.gz JRYFEFUMWFKOJZ-SFHVURJKSA-N 0 1 319.445 3.610 20 10 DHCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769338584 1023128671 /nfs/dbraw/zinc/12/86/71/1023128671.db2.gz QVUFCYVEOQHQOU-UHFFFAOYSA-N 0 1 306.233 3.539 20 10 DHCDMN COc1cccc(O)c1CN1CCc2c(Cl)cccc2C1 ZINC000769387587 1023138110 /nfs/dbraw/zinc/13/81/10/1023138110.db2.gz MLRHJOFAHSJERJ-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000769390589 1023139175 /nfs/dbraw/zinc/13/91/75/1023139175.db2.gz ZJMXCKNXDRHEHH-GFCCVEGCSA-N 0 1 305.805 3.814 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000769390589 1023139181 /nfs/dbraw/zinc/13/91/81/1023139181.db2.gz ZJMXCKNXDRHEHH-GFCCVEGCSA-N 0 1 305.805 3.814 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000769390557 1023140091 /nfs/dbraw/zinc/14/00/91/1023140091.db2.gz YXLKZXVTLNLUFA-SNVBAGLBSA-N 0 1 322.748 3.536 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000769480764 1023150634 /nfs/dbraw/zinc/15/06/34/1023150634.db2.gz ORRWXEKEIAOIMD-UHFFFAOYSA-N 0 1 313.788 3.521 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(O)ccc2Cl)c1 ZINC000859232232 1033109056 /nfs/dbraw/zinc/10/90/56/1033109056.db2.gz IFXBAORZYHSUIK-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN COc1cccc(O)c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000769451874 1023155785 /nfs/dbraw/zinc/15/57/85/1023155785.db2.gz NXFKHROMQQEWQB-UHFFFAOYSA-N 0 1 315.388 3.952 20 10 DHCDMN CCc1noc(C)c1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000769874495 1023237015 /nfs/dbraw/zinc/23/70/15/1023237015.db2.gz OIKOYDBEXYAEGM-ZDUSSCGKSA-N 0 1 313.445 3.779 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000769988121 1023257697 /nfs/dbraw/zinc/25/76/97/1023257697.db2.gz NCWIIGSQTVFESL-PXAZEXFGSA-N 0 1 313.422 3.991 20 10 DHCDMN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000770746178 1023347193 /nfs/dbraw/zinc/34/71/93/1023347193.db2.gz LHNOHGGZCPILLY-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN CO[C@@H](CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786952267 1023739388 /nfs/dbraw/zinc/73/93/88/1023739388.db2.gz ZSLVKKANGUKMEU-PELKAZGASA-N 0 1 311.731 3.664 20 10 DHCDMN CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000788537857 1023902022 /nfs/dbraw/zinc/90/20/22/1023902022.db2.gz KLPHOAHAWXACCL-ROUUACIJSA-N 0 1 319.832 3.893 20 10 DHCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000193874810 1023978761 /nfs/dbraw/zinc/97/87/61/1023978761.db2.gz LGIGSIKHTHZTKK-VHDGCEQUSA-N 0 1 313.397 3.538 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185482193 1024030730 /nfs/dbraw/zinc/03/07/30/1024030730.db2.gz LHRCXKNIBVIIBM-UKRRQHHQSA-N 0 1 301.430 3.993 20 10 DHCDMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccc(N(C)C)cc1 ZINC000268902742 1024191837 /nfs/dbraw/zinc/19/18/37/1024191837.db2.gz MNBBERHLYRQIQM-IBGZPJMESA-N 0 1 322.456 3.950 20 10 DHCDMN COc1cc(C)cc(CN2CCc3cc(Cl)ccc3C2)c1O ZINC000790441023 1024306267 /nfs/dbraw/zinc/30/62/67/1024306267.db2.gz AERAEOGUHXWOOF-UHFFFAOYSA-N 0 1 317.816 3.921 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Cl)ccc1[O-] ZINC000883276039 1024345923 /nfs/dbraw/zinc/34/59/23/1024345923.db2.gz FHXCZLDOIAMAPI-BBRMVZONSA-N 0 1 323.820 3.531 20 10 DHCDMN C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCCOC1 ZINC000271147496 1024462253 /nfs/dbraw/zinc/46/22/53/1024462253.db2.gz BJKUILBFYHVJLX-MRXNPFEDSA-N 0 1 311.425 3.918 20 10 DHCDMN C[C@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCS1 ZINC000133567937 1024718707 /nfs/dbraw/zinc/71/87/07/1024718707.db2.gz NKVRJUYVPLFWLU-CYBMUJFWSA-N 0 1 316.264 3.530 20 10 DHCDMN Cc1ccccc1-n1nccc1CN(C)Cc1ccccc1O ZINC000792787390 1024791794 /nfs/dbraw/zinc/79/17/94/1024791794.db2.gz DQUXMGGMLABDHU-UHFFFAOYSA-N 0 1 307.397 3.518 20 10 DHCDMN C[C@@H]1COCCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000772821548 1024792148 /nfs/dbraw/zinc/79/21/48/1024792148.db2.gz BAYIMJTYTUAIFI-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@@H]1COCCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000772821548 1024792157 /nfs/dbraw/zinc/79/21/57/1024792157.db2.gz BAYIMJTYTUAIFI-CYBMUJFWSA-N 0 1 311.381 3.902 20 10 DHCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C2CC2)O1 ZINC000793221212 1024936347 /nfs/dbraw/zinc/93/63/47/1024936347.db2.gz YAPNJOBTGWILSE-JXFKEZNVSA-N 0 1 314.473 3.676 20 10 DHCDMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000793590303 1025116600 /nfs/dbraw/zinc/11/66/00/1025116600.db2.gz ONEWUCCMVXCKRO-CQSZACIVSA-N 0 1 312.461 3.691 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000825939863 1033260921 /nfs/dbraw/zinc/26/09/21/1033260921.db2.gz IMHMFEHWWAGGKA-SJKOYZFVSA-N 0 1 305.805 3.566 20 10 DHCDMN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000318995237 1025129134 /nfs/dbraw/zinc/12/91/34/1025129134.db2.gz NMSXKSWJEMIZKW-CABCVRRESA-N 0 1 300.446 3.926 20 10 DHCDMN C[C@@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000279692746 1025161104 /nfs/dbraw/zinc/16/11/04/1025161104.db2.gz QAPXGJXOBUFQPZ-HXUWFJFHSA-N 0 1 311.425 3.796 20 10 DHCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000279692746 1025161109 /nfs/dbraw/zinc/16/11/09/1025161109.db2.gz QAPXGJXOBUFQPZ-HXUWFJFHSA-N 0 1 311.425 3.796 20 10 DHCDMN COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc3ccccc3cc1[O-])C2 ZINC001168242224 1025374393 /nfs/dbraw/zinc/37/43/93/1025374393.db2.gz BWPXKPYFXTTXFS-LJQANCHMSA-N 0 1 319.404 3.811 20 10 DHCDMN COc1cc(Cl)cc(CN2CCc3ccsc3C2)c1O ZINC000761202765 1025533084 /nfs/dbraw/zinc/53/30/84/1025533084.db2.gz LKYIXSLAEOOOLN-UHFFFAOYSA-N 0 1 309.818 3.674 20 10 DHCDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])n1 ZINC000894031130 1025657645 /nfs/dbraw/zinc/65/76/45/1025657645.db2.gz PHMMIVIOPZVCQA-MRXNPFEDSA-N 0 1 304.340 3.711 20 10 DHCDMN CC(C)(C)SCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838001 1026132215 /nfs/dbraw/zinc/13/22/15/1026132215.db2.gz IRKVBFSFHFRDHU-UHFFFAOYSA-N 0 1 322.257 3.847 20 10 DHCDMN O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000808088752 1026201438 /nfs/dbraw/zinc/20/14/38/1026201438.db2.gz LGXUFWPGQVGBHZ-UHFFFAOYSA-N 0 1 314.128 3.614 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccs1 ZINC000808221352 1026229015 /nfs/dbraw/zinc/22/90/15/1026229015.db2.gz FPUUIMGNSAXNAJ-MRXNPFEDSA-N 0 1 317.410 3.766 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(C(F)F)CCCC2)c1[O-] ZINC000808451370 1026291894 /nfs/dbraw/zinc/29/18/94/1026291894.db2.gz KAVWGZIWGNODSS-UHFFFAOYSA-N 0 1 320.723 3.621 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2c2cccnc2)c1O ZINC000809728698 1026595798 /nfs/dbraw/zinc/59/57/98/1026595798.db2.gz FSHGDEAMAVRVGU-OAHLLOKOSA-N 0 1 318.804 3.786 20 10 DHCDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1[O-] ZINC000809688323 1026595899 /nfs/dbraw/zinc/59/58/99/1026595899.db2.gz HIYPZSDWNBUQLB-UHFFFAOYSA-N 0 1 320.776 3.628 20 10 DHCDMN O=C1OCc2c1cccc2NCc1cc(Cl)cc(Cl)c1O ZINC000809791064 1026629358 /nfs/dbraw/zinc/62/93/58/1026629358.db2.gz SVMGPCSIQIHSDT-UHFFFAOYSA-N 0 1 324.163 3.982 20 10 DHCDMN COc1cc(Cl)cc(CN2CCCc3occc3C2)c1O ZINC000809792216 1026629796 /nfs/dbraw/zinc/62/97/96/1026629796.db2.gz MNCVTYLCXYYKKT-UHFFFAOYSA-N 0 1 307.777 3.596 20 10 DHCDMN CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218476 1026709267 /nfs/dbraw/zinc/70/92/67/1026709267.db2.gz UMCLMPHHYORMEE-DZGCQCFKSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217224 1026709499 /nfs/dbraw/zinc/70/94/99/1026709499.db2.gz YXXVRNXMWGYTQL-JSGCOSHPSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218077 1026709582 /nfs/dbraw/zinc/70/95/82/1026709582.db2.gz OLPJVOGDLDJRTC-RIEGTJTDSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)CCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223054 1026711962 /nfs/dbraw/zinc/71/19/62/1026711962.db2.gz HCZFDSJIDVBGOL-GWCFXTLKSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220337 1026712262 /nfs/dbraw/zinc/71/22/62/1026712262.db2.gz VQDWSQSHKQGMCB-GYSYKLTISA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220229 1026712295 /nfs/dbraw/zinc/71/22/95/1026712295.db2.gz SEAPUSXOKLUGNM-WDMOLILDSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227874 1026713352 /nfs/dbraw/zinc/71/33/52/1026713352.db2.gz LXHZLKRJQZQDFU-UONOGXRCSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228160 1026713770 /nfs/dbraw/zinc/71/37/70/1026713770.db2.gz COXLTDUHAHRKPC-FZMZJTMJSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@H]([NH2+]CCN1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207825 1026717436 /nfs/dbraw/zinc/71/74/36/1026717436.db2.gz PGTICFOMKHNVKP-AWEZNQCLSA-N 0 1 316.367 3.548 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510354 1027026297 /nfs/dbraw/zinc/02/62/97/1027026297.db2.gz CYJDNNTYMOFFRG-ZFWWWQNUSA-N 0 1 313.800 3.574 20 10 DHCDMN Cc1ncc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000295444785 1027279565 /nfs/dbraw/zinc/27/95/65/1027279565.db2.gz UTYJRZGMGRKHGZ-UHFFFAOYSA-N 0 1 300.786 3.582 20 10 DHCDMN Oc1cccc2c1[C@H](NCc1c(F)cc(F)c(F)c1F)CC2 ZINC000296294639 1027600393 /nfs/dbraw/zinc/60/03/93/1027600393.db2.gz DGUVBNKTFJHZCY-GFCCVEGCSA-N 0 1 311.278 3.726 20 10 DHCDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779009028 1027771267 /nfs/dbraw/zinc/77/12/67/1027771267.db2.gz HZAJEWXRPGWDIO-MRXNPFEDSA-N 0 1 301.361 3.877 20 10 DHCDMN Oc1ccc(F)cc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000779018568 1027836855 /nfs/dbraw/zinc/83/68/55/1027836855.db2.gz BBTZBCUBEQWOBU-QGZVFWFLSA-N 0 1 303.402 3.821 20 10 DHCDMN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C[C@@H]21 ZINC001170729840 1027909284 /nfs/dbraw/zinc/90/92/84/1027909284.db2.gz HDTRHULIRVYTEF-XYYAHUGASA-N 0 1 310.235 3.679 20 10 DHCDMN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814179355 1027918031 /nfs/dbraw/zinc/91/80/31/1027918031.db2.gz SDOBKKPTHYBZGF-JTQLQIEISA-N 0 1 303.830 3.760 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814169922 1027925335 /nfs/dbraw/zinc/92/53/35/1027925335.db2.gz ONDQNUDIIUQPIT-INIZCTEOSA-N 0 1 311.853 3.631 20 10 DHCDMN Cc1cc(CN(C)Cc2cc(Cl)cn2C)ccc1N(C)C ZINC000815061377 1028347487 /nfs/dbraw/zinc/34/74/87/1028347487.db2.gz SHYYUVUFOVXEIE-UHFFFAOYSA-N 0 1 305.853 3.685 20 10 DHCDMN C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)C=CCC1 ZINC000935990842 1028437017 /nfs/dbraw/zinc/43/70/17/1028437017.db2.gz BFPJUKQGJSJLLP-CQSZACIVSA-N 0 1 300.185 3.672 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651484 1028596183 /nfs/dbraw/zinc/59/61/83/1028596183.db2.gz UVGPQVURASQCJO-UKRRQHHQSA-N 0 1 317.351 3.877 20 10 DHCDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])on1 ZINC000816492878 1028895896 /nfs/dbraw/zinc/89/58/96/1028895896.db2.gz HQGQNTUJRGMLOW-ZDUSSCGKSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1c(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc2ccccc21 ZINC000816495257 1028896598 /nfs/dbraw/zinc/89/65/98/1028896598.db2.gz PZNZMATUJTYEBW-UHFFFAOYSA-N 0 1 307.397 3.648 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1F ZINC000816531663 1028923177 /nfs/dbraw/zinc/92/31/77/1028923177.db2.gz ZGZNWGURCJEAFE-UHFFFAOYSA-N 0 1 311.356 3.983 20 10 DHCDMN COc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1OC ZINC000816535952 1028923477 /nfs/dbraw/zinc/92/34/77/1028923477.db2.gz HHHDTQBEQFQODR-UHFFFAOYSA-N 0 1 323.392 3.852 20 10 DHCDMN [O-]c1c(C[NH2+]CCN2CCc3ccccc32)ccc2ccccc21 ZINC000816541391 1028926685 /nfs/dbraw/zinc/92/66/85/1028926685.db2.gz LMKDULPLFHSHKQ-UHFFFAOYSA-N 0 1 318.420 3.698 20 10 DHCDMN CS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521709 1028933465 /nfs/dbraw/zinc/93/34/65/1028933465.db2.gz XCSQTNXSSJTYRD-LLVKDONJSA-N 0 1 303.830 3.902 20 10 DHCDMN [O-]c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816586143 1028934771 /nfs/dbraw/zinc/93/47/71/1028934771.db2.gz BARKJWKBFVTLIW-IBGZPJMESA-N 0 1 311.425 3.936 20 10 DHCDMN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554010 1028943079 /nfs/dbraw/zinc/94/30/79/1028943079.db2.gz MLJIUQQGCKWGCK-UHFFFAOYSA-N 0 1 322.364 3.786 20 10 DHCDMN CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816616335 1028963207 /nfs/dbraw/zinc/96/32/07/1028963207.db2.gz ULZPJTCXZVGWOZ-OAHLLOKOSA-N 0 1 300.446 3.755 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617100 1028964709 /nfs/dbraw/zinc/96/47/09/1028964709.db2.gz OYDIBAGKLHTCCZ-SFHVURJKSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617100 1028964721 /nfs/dbraw/zinc/96/47/21/1028964721.db2.gz OYDIBAGKLHTCCZ-SFHVURJKSA-N 0 1 311.425 3.794 20 10 DHCDMN CCCN(CC)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816616334 1028965206 /nfs/dbraw/zinc/96/52/06/1028965206.db2.gz ULZPJTCXZVGWOZ-HNNXBMFYSA-N 0 1 300.446 3.755 20 10 DHCDMN COc1cc2c(cc1Cl)CN(Cc1ccccc1O)CC2 ZINC000816665084 1028985246 /nfs/dbraw/zinc/98/52/46/1028985246.db2.gz RPUYSNBNEPAEAR-UHFFFAOYSA-N 0 1 303.789 3.613 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1sccc1F ZINC000816682332 1028989581 /nfs/dbraw/zinc/98/95/81/1028989581.db2.gz VIMNDUINYZBPNT-UHFFFAOYSA-N 0 1 320.172 3.830 20 10 DHCDMN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413275 1029152864 /nfs/dbraw/zinc/15/28/64/1029152864.db2.gz VNFLLCQQTPOTMC-HOTGVXAUSA-N 0 1 311.425 3.510 20 10 DHCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413275 1029152868 /nfs/dbraw/zinc/15/28/68/1029152868.db2.gz VNFLLCQQTPOTMC-HOTGVXAUSA-N 0 1 311.425 3.510 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817602085 1029222836 /nfs/dbraw/zinc/22/28/36/1029222836.db2.gz AKACLOGVVFLHSZ-OPRDCNLKSA-N 0 1 314.212 3.751 20 10 DHCDMN CCOc1cccc(CN[C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231493 1029360273 /nfs/dbraw/zinc/36/02/73/1029360273.db2.gz XLBMUAQSVUWFOL-WMZOPIPTSA-N 0 1 301.361 3.518 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCOC1 ZINC000156028433 1029364299 /nfs/dbraw/zinc/36/42/99/1029364299.db2.gz SKXQOZAIXVOGBX-JTQLQIEISA-N 0 1 304.217 3.557 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865726688 1029991620 /nfs/dbraw/zinc/99/16/20/1029991620.db2.gz REYAHGYSVJTEGF-INIZCTEOSA-N 0 1 309.837 3.875 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000290354897 1030012500 /nfs/dbraw/zinc/01/25/00/1030012500.db2.gz QKBZXDOSYZHSCV-NVGCLXPQSA-N 0 1 305.805 3.818 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865777606 1030019609 /nfs/dbraw/zinc/01/96/09/1030019609.db2.gz JRVSWWLTKAOTOD-ZDUSSCGKSA-N 0 1 309.837 3.650 20 10 DHCDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cn(C)cn1 ZINC000925011020 1030246264 /nfs/dbraw/zinc/24/62/64/1030246264.db2.gz JNIWJJCWQIJDFC-INIZCTEOSA-N 0 1 312.461 3.507 20 10 DHCDMN Cc1ccc([C@H](C)NCc2nn(C)cc2C(F)F)c(O)c1C ZINC000866565795 1030378710 /nfs/dbraw/zinc/37/87/10/1030378710.db2.gz RATRQVYIVPXJNP-NSHDSACASA-N 0 1 309.360 3.531 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000777565890 1030404032 /nfs/dbraw/zinc/40/40/32/1030404032.db2.gz HXWYZEAMKWUJAT-OAHLLOKOSA-N 0 1 321.428 3.897 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634945 1030416401 /nfs/dbraw/zinc/41/64/01/1030416401.db2.gz WDALFBQHPBMXFT-KBPBESRZSA-N 0 1 305.809 3.818 20 10 DHCDMN COc1cc(C[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])ccc1O ZINC000824548470 1030588382 /nfs/dbraw/zinc/58/83/82/1030588382.db2.gz NGTRQWWDELKPSK-UHFFFAOYSA-N 0 1 321.804 3.700 20 10 DHCDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])ccc1O ZINC000824548470 1030588397 /nfs/dbraw/zinc/58/83/97/1030588397.db2.gz NGTRQWWDELKPSK-UHFFFAOYSA-N 0 1 321.804 3.700 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)cc1O ZINC000824611314 1030594985 /nfs/dbraw/zinc/59/49/85/1030594985.db2.gz ZLJYMXDRCHDLGM-UHFFFAOYSA-N 0 1 321.804 3.700 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1O ZINC000824611314 1030594993 /nfs/dbraw/zinc/59/49/93/1030594993.db2.gz ZLJYMXDRCHDLGM-UHFFFAOYSA-N 0 1 321.804 3.700 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1O ZINC000824611314 1030595005 /nfs/dbraw/zinc/59/50/05/1030595005.db2.gz ZLJYMXDRCHDLGM-UHFFFAOYSA-N 0 1 321.804 3.700 20 10 DHCDMN CSCC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824843513 1030661907 /nfs/dbraw/zinc/66/19/07/1030661907.db2.gz PKAACWRDQFBCEA-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824843513 1030661913 /nfs/dbraw/zinc/66/19/13/1030661913.db2.gz PKAACWRDQFBCEA-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1O ZINC000824942076 1030676539 /nfs/dbraw/zinc/67/65/39/1030676539.db2.gz VROLLFJJLLXLGW-GOEBONIOSA-N 0 1 307.821 3.675 20 10 DHCDMN COCc1ccccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825085335 1030720462 /nfs/dbraw/zinc/72/04/62/1030720462.db2.gz WZLONEFMPKUBJP-UHFFFAOYSA-N 0 1 305.805 3.790 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1Cl ZINC000825077847 1030722099 /nfs/dbraw/zinc/72/20/99/1030722099.db2.gz JZZPTAZPYRLXKV-CQSZACIVSA-N 0 1 318.804 3.622 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1Cl ZINC000825254573 1030761010 /nfs/dbraw/zinc/76/10/10/1030761010.db2.gz RVJHNINUEOGIQZ-GFCCVEGCSA-N 0 1 307.825 3.982 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000825279863 1030764637 /nfs/dbraw/zinc/76/46/37/1030764637.db2.gz ZAJMCTXTESMTOL-CXAGYDPISA-N 0 1 319.832 3.608 20 10 DHCDMN Cc1cc(O)c(CNCc2nc(C3CC3)cs2)cc1Cl ZINC000825365714 1030790100 /nfs/dbraw/zinc/79/01/00/1030790100.db2.gz LMYSDGDUWMWEDQ-UHFFFAOYSA-N 0 1 308.834 3.978 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)cc1Cl ZINC000825394581 1030799144 /nfs/dbraw/zinc/79/91/44/1030799144.db2.gz CAUAZXDUAWLJLJ-FZKQIMNGSA-N 0 1 319.832 3.956 20 10 DHCDMN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000927067699 1031068215 /nfs/dbraw/zinc/06/82/15/1031068215.db2.gz CYJXPXBTEFCRLO-PPHDSNJXSA-N 0 1 309.837 3.901 20 10 DHCDMN C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000927138661 1031115323 /nfs/dbraw/zinc/11/53/23/1031115323.db2.gz GAYRVELMYAPQEK-PDSMFRHLSA-N 0 1 317.816 3.745 20 10 DHCDMN CCCN(CCC)c1ccc(C[N@@H+](C)[C@@H](CC)C(=O)[O-])cc1 ZINC000844935362 1031407328 /nfs/dbraw/zinc/40/73/28/1031407328.db2.gz CLFIOWICIQUQCR-KRWDZBQOSA-N 0 1 306.450 3.608 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1F ZINC000872030134 1031415117 /nfs/dbraw/zinc/41/51/17/1031415117.db2.gz ZOVSOVFPDBMFLQ-ZDUSSCGKSA-N 0 1 314.404 3.765 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC12CCCC2 ZINC001144293744 1031432359 /nfs/dbraw/zinc/43/23/59/1031432359.db2.gz SISAAEMOAKTDEF-UHFFFAOYSA-N 0 1 314.198 3.812 20 10 DHCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CCC1 ZINC001144299949 1031439378 /nfs/dbraw/zinc/43/93/78/1031439378.db2.gz NJFDPLRIURCUQX-UHFFFAOYSA-N 0 1 302.187 3.526 20 10 DHCDMN Oc1cc(F)c(Br)cc1CN1Cc2ccccc2C1 ZINC001144299138 1031439991 /nfs/dbraw/zinc/43/99/91/1031439991.db2.gz QGQYBUKVBKXFDA-UHFFFAOYSA-N 0 1 322.177 3.810 20 10 DHCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc([O-])c2Cl)c1 ZINC000845972833 1031789941 /nfs/dbraw/zinc/78/99/41/1031789941.db2.gz UXWLLAATFMTSDL-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN CC(C)n1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000846055008 1031843794 /nfs/dbraw/zinc/84/37/94/1031843794.db2.gz IKRXGLQIKYSELN-LBPRGKRZSA-N 0 1 307.825 3.544 20 10 DHCDMN CCOCc1cc(CN[C@H](C)c2cncs2)ccc1OC ZINC000897934344 1031877409 /nfs/dbraw/zinc/87/74/09/1031877409.db2.gz IAZSJDRVKJTIHM-GFCCVEGCSA-N 0 1 306.431 3.539 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105811 1031878169 /nfs/dbraw/zinc/87/81/69/1031878169.db2.gz YPYMCFKEHVCBTA-CYBMUJFWSA-N 0 1 305.727 3.806 20 10 DHCDMN COc1cccc([C@H](C)NCc2nc(C(C)C)cs2)c1O ZINC000846150963 1031883683 /nfs/dbraw/zinc/88/36/83/1031883683.db2.gz UCBWPJRANSUUQY-NSHDSACASA-N 0 1 306.431 3.832 20 10 DHCDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142527415 1031910703 /nfs/dbraw/zinc/91/07/03/1031910703.db2.gz UDLFAGURVUVYOH-INIZCTEOSA-N 0 1 304.340 3.711 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898072130 1031944954 /nfs/dbraw/zinc/94/49/54/1031944954.db2.gz YKZBPEMMIZXNHS-LLVKDONJSA-N 0 1 308.834 3.567 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898072130 1031944966 /nfs/dbraw/zinc/94/49/66/1031944966.db2.gz YKZBPEMMIZXNHS-LLVKDONJSA-N 0 1 308.834 3.567 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccncc2)C2CC2)cc1Cl ZINC000898319230 1032035305 /nfs/dbraw/zinc/03/53/05/1032035305.db2.gz AZECZGWLZOKREB-KRWDZBQOSA-N 0 1 302.805 3.990 20 10 DHCDMN CCCc1nc(C)c(CNCc2cc(Cl)c(C)cc2O)o1 ZINC000825986699 1033388746 /nfs/dbraw/zinc/38/87/46/1033388746.db2.gz MOWJLOZIMXAXQM-UHFFFAOYSA-N 0 1 308.809 3.893 20 10 DHCDMN Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000877812518 1033464452 /nfs/dbraw/zinc/46/44/52/1033464452.db2.gz BYXYNBIULURRKI-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000877812518 1033464454 /nfs/dbraw/zinc/46/44/54/1033464454.db2.gz BYXYNBIULURRKI-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877823523 1033473267 /nfs/dbraw/zinc/47/32/67/1033473267.db2.gz MCKZFXXIVOMUBJ-TVQRCGJNSA-N 0 1 323.742 3.587 20 10 DHCDMN CC(C)[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000927066339 1033488180 /nfs/dbraw/zinc/48/81/80/1033488180.db2.gz BHYWFDYVVHFSJJ-BDJLRTHQSA-N 0 1 307.825 3.827 20 10 DHCDMN CCSC[C@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001173304806 1033658476 /nfs/dbraw/zinc/65/84/76/1033658476.db2.gz KDSWTHGDMNAIRB-ZDUSSCGKSA-N 0 1 318.486 3.687 20 10 DHCDMN COC(=O)CCCC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173439946 1033727992 /nfs/dbraw/zinc/72/79/92/1033727992.db2.gz CDBOYQLKIVZCDC-AWEZNQCLSA-N 0 1 315.413 3.757 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ccnc(F)c2C)cc1F ZINC000862280270 1033809970 /nfs/dbraw/zinc/80/99/70/1033809970.db2.gz XYNJJAWCTSTWDJ-UHFFFAOYSA-N 0 1 319.399 3.804 20 10 DHCDMN CCOc1cccc(CN[C@](C)(CC)c2nc(C)cs2)c1O ZINC000174504626 1033937864 /nfs/dbraw/zinc/93/78/64/1033937864.db2.gz IKVJOOVTNAMGOX-QGZVFWFLSA-N 0 1 320.458 3.971 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1Cl ZINC000826122141 1034115967 /nfs/dbraw/zinc/11/59/67/1034115967.db2.gz YBIGKDHFHMUVBC-DOTOQJQBSA-N 0 1 323.864 3.727 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1Cl ZINC000826122141 1034115972 /nfs/dbraw/zinc/11/59/72/1034115972.db2.gz YBIGKDHFHMUVBC-DOTOQJQBSA-N 0 1 323.864 3.727 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1Cl ZINC000826122141 1034115978 /nfs/dbraw/zinc/11/59/78/1034115978.db2.gz YBIGKDHFHMUVBC-DOTOQJQBSA-N 0 1 323.864 3.727 20 10 DHCDMN CCC(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864028950 1034264532 /nfs/dbraw/zinc/26/45/32/1034264532.db2.gz PMADLCXBLFJHNH-UHFFFAOYSA-N 0 1 306.312 3.631 20 10 DHCDMN Oc1ccccc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000179557790 1034316024 /nfs/dbraw/zinc/31/60/24/1034316024.db2.gz WSEUYFSTFRJQAO-QGZVFWFLSA-N 0 1 303.789 3.619 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000184845956 1034505021 /nfs/dbraw/zinc/50/50/21/1034505021.db2.gz KLWOQJWIARPEAX-QWRGUYRKSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000184944318 1034514992 /nfs/dbraw/zinc/51/49/92/1034514992.db2.gz ODVIQVPHGKWQOL-QLJPJBMISA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000185095490 1034527941 /nfs/dbraw/zinc/52/79/41/1034527941.db2.gz ZRUWTOGNLVFWGA-MGPLVRAMSA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000185518520 1034553843 /nfs/dbraw/zinc/55/38/43/1034553843.db2.gz QBZFJUDQPLFONY-ZUZCIYMTSA-N 0 1 311.834 3.665 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185525160 1034554229 /nfs/dbraw/zinc/55/42/29/1034554229.db2.gz MECKTVWSYSCLFS-UKRRQHHQSA-N 0 1 319.832 3.862 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2nc(C(C)C)cs2)c1 ZINC000185808048 1034574256 /nfs/dbraw/zinc/57/42/56/1034574256.db2.gz RPHCMLUKQPJAJM-NSHDSACASA-N 0 1 306.431 3.832 20 10 DHCDMN Nc1ccc(Cc2ccccc2Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005008 1035183566 /nfs/dbraw/zinc/18/35/66/1035183566.db2.gz RQTBLWWJPRWSHK-UHFFFAOYSA-N 0 1 315.380 3.875 20 10 DHCDMN Nc1ccc(Cc2ccccc2Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005008 1035183570 /nfs/dbraw/zinc/18/35/70/1035183570.db2.gz RQTBLWWJPRWSHK-UHFFFAOYSA-N 0 1 315.380 3.875 20 10 DHCDMN CN(C)c1ccc(/C=C/CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001178998302 1035460543 /nfs/dbraw/zinc/46/05/43/1035460543.db2.gz IVLVYJDZVVJSDE-NHQAVIFJSA-N 0 1 310.416 3.993 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)C2CCOCC2)c(Cl)c1 ZINC001179681603 1035493069 /nfs/dbraw/zinc/49/30/69/1035493069.db2.gz OZWBEMBOTSABAA-UHFFFAOYSA-N 0 1 311.853 3.896 20 10 DHCDMN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001179988501 1035554056 /nfs/dbraw/zinc/55/40/56/1035554056.db2.gz FEKDQKLOPFGGMP-GFCCVEGCSA-N 0 1 321.367 3.742 20 10 DHCDMN Cn1ccc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000905720281 1035622193 /nfs/dbraw/zinc/62/21/93/1035622193.db2.gz CBZGDGVKIUIAQP-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000905720281 1035622203 /nfs/dbraw/zinc/62/22/03/1035622203.db2.gz CBZGDGVKIUIAQP-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN CC(C)c1cccnc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606249 1035690344 /nfs/dbraw/zinc/69/03/44/1035690344.db2.gz XSZBBJNPGHHJHH-UHFFFAOYSA-N 0 1 306.749 3.522 20 10 DHCDMN C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(F)ccc1O ZINC001180565486 1035717609 /nfs/dbraw/zinc/71/76/09/1035717609.db2.gz DGBNSISIRFNFEJ-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN Cc1c(C[NH2+]Cc2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC001180856547 1035775156 /nfs/dbraw/zinc/77/51/56/1035775156.db2.gz HZDZHPOFMGUPHN-UHFFFAOYSA-N 0 1 306.749 3.552 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1Cl ZINC001182139511 1036107785 /nfs/dbraw/zinc/10/77/85/1036107785.db2.gz KWTFDJHNMNYLEQ-INIZCTEOSA-N 0 1 311.853 3.631 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160665 1036208669 /nfs/dbraw/zinc/20/86/69/1036208669.db2.gz ZBINBKFRUJBJNB-VHSXEESVSA-N 0 1 305.249 3.690 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC(OC(C)(C)C)C1 ZINC001182445370 1036310248 /nfs/dbraw/zinc/31/02/48/1036310248.db2.gz YDMHDERLRXOBLS-UHFFFAOYSA-N 0 1 315.816 3.963 20 10 DHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000775717557 1036538920 /nfs/dbraw/zinc/53/89/20/1036538920.db2.gz OGEFULIVMUVDCA-KRWDZBQOSA-N 0 1 319.832 3.910 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000775718644 1036542857 /nfs/dbraw/zinc/54/28/57/1036542857.db2.gz NDOLIKHHNUOADI-HNNXBMFYSA-N 0 1 309.837 3.969 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000029894391 1036555307 /nfs/dbraw/zinc/55/53/07/1036555307.db2.gz UBUVJKFYIVKBAX-LJQANCHMSA-N 0 1 315.388 3.722 20 10 DHCDMN Oc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001183362528 1036570347 /nfs/dbraw/zinc/57/03/47/1036570347.db2.gz CDBFABUHMNXBBX-TXEJJXNPSA-N 0 1 308.219 3.553 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001183362528 1036570363 /nfs/dbraw/zinc/57/03/63/1036570363.db2.gz CDBFABUHMNXBBX-TXEJJXNPSA-N 0 1 308.219 3.553 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001183362528 1036570371 /nfs/dbraw/zinc/57/03/71/1036570371.db2.gz CDBFABUHMNXBBX-TXEJJXNPSA-N 0 1 308.219 3.553 20 10 DHCDMN CCc1cnc(CN(C)Cc2cc(Cl)cc(F)c2O)s1 ZINC000775727643 1036574915 /nfs/dbraw/zinc/57/49/15/1036574915.db2.gz WHKUVUSJVDKXOA-UHFFFAOYSA-N 0 1 314.813 3.836 20 10 DHCDMN CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203585272 1036787118 /nfs/dbraw/zinc/78/71/18/1036787118.db2.gz GEJSULZYJFMVHQ-ZDUSSCGKSA-N 0 1 317.260 3.614 20 10 DHCDMN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001184263865 1036790367 /nfs/dbraw/zinc/79/03/67/1036790367.db2.gz AREFYAPUFBAHQU-UHFFFAOYSA-N 0 1 316.159 3.834 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)C2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000774869833 1037129652 /nfs/dbraw/zinc/12/96/52/1037129652.db2.gz NMNJPAWGTXMETJ-UHFFFAOYSA-N 0 1 322.405 3.854 20 10 DHCDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774879608 1037154278 /nfs/dbraw/zinc/15/42/78/1037154278.db2.gz JGTMWLMJSBYCPW-RYUDHWBXSA-N 0 1 322.405 3.708 20 10 DHCDMN C[C@@H]1C[NH+](Cc2cc3oc4ccccc4c3cc2[O-])C[C@@H](C)O1 ZINC000915789553 1037185739 /nfs/dbraw/zinc/18/57/39/1037185739.db2.gz QUSNYRYEMQHLQE-CHWSQXEVSA-N 0 1 311.381 3.901 20 10 DHCDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774902209 1037192360 /nfs/dbraw/zinc/19/23/60/1037192360.db2.gz HLSYJRPCVFOZKF-TZMCWYRMSA-N 0 1 322.405 3.710 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825529577 1037337212 /nfs/dbraw/zinc/33/72/12/1037337212.db2.gz FFYNPSLSHGNDHU-DLBZAZTESA-N 0 1 309.837 3.649 20 10 DHCDMN CC(C)C[C@H](NCc1cccc(Cl)c1O)C(=O)OC(C)C ZINC000763288564 1037555098 /nfs/dbraw/zinc/55/50/98/1037555098.db2.gz RRDDILCBRCISPN-AWEZNQCLSA-N 0 1 313.825 3.502 20 10 DHCDMN CCOc1ncccc1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000151182594 1037749895 /nfs/dbraw/zinc/74/98/95/1037749895.db2.gz SCUVQYIWHKHDKA-HNNXBMFYSA-N 0 1 313.445 3.787 20 10 DHCDMN COc1ccc(OC)c([C@H](C)NCc2ccc(OC)c(C)c2)c1 ZINC000029656439 1037865542 /nfs/dbraw/zinc/86/55/42/1037865542.db2.gz BSPZFDOIKAWYSN-AWEZNQCLSA-N 0 1 315.413 3.872 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000164504083 1038205603 /nfs/dbraw/zinc/20/56/03/1038205603.db2.gz KNLNDFLZTNEPQT-HNNXBMFYSA-N 0 1 303.427 3.644 20 10 DHCDMN CCOC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000775373293 1038294826 /nfs/dbraw/zinc/29/48/26/1038294826.db2.gz BPMRQGAQKDYIEM-INIZCTEOSA-N 0 1 313.825 3.503 20 10 DHCDMN CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775484346 1038550173 /nfs/dbraw/zinc/55/01/73/1038550173.db2.gz BVEUIPGEWMPDLL-OAHLLOKOSA-N 0 1 310.869 3.961 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775483459 1038550676 /nfs/dbraw/zinc/55/06/76/1038550676.db2.gz WBRCMYXJWAYTPF-GJZGRUSLSA-N 0 1 322.836 3.982 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775483373 1038550812 /nfs/dbraw/zinc/55/08/12/1038550812.db2.gz SJFGIXAYWUXSQI-WBVHZDCISA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Cl)ccc1[O-] ZINC000775492128 1038559783 /nfs/dbraw/zinc/55/97/83/1038559783.db2.gz MCNXEXHRDWKZCP-OAHLLOKOSA-N 0 1 307.825 3.751 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775491080 1038560267 /nfs/dbraw/zinc/56/02/67/1038560267.db2.gz YGOXHXKLOITPTQ-MRXNPFEDSA-N 0 1 323.795 3.918 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775502173 1038591505 /nfs/dbraw/zinc/59/15/05/1038591505.db2.gz PMNFYEZYHWJCRK-RDJZCZTQSA-N 0 1 319.832 3.690 20 10 DHCDMN CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507938 1038600313 /nfs/dbraw/zinc/60/03/13/1038600313.db2.gz PTAXHTFHFCRDQX-RBZFPXEDSA-N 0 1 317.882 3.634 20 10 DHCDMN CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775507941 1038600470 /nfs/dbraw/zinc/60/04/70/1038600470.db2.gz PTAXHTFHFCRDQX-ZUOKHONESA-N 0 1 317.882 3.634 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775513921 1038608754 /nfs/dbraw/zinc/60/87/54/1038608754.db2.gz WMOCDTNYDOEOIZ-RBOXIYTFSA-N 0 1 308.853 3.712 20 10 DHCDMN COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])ccn1 ZINC000171140490 1039280057 /nfs/dbraw/zinc/28/00/57/1039280057.db2.gz DMBNVDRIDPCCBF-ZDUSSCGKSA-N 0 1 308.381 3.800 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCCO1 ZINC000172493881 1039922783 /nfs/dbraw/zinc/92/27/83/1039922783.db2.gz FQFAEECMDLEILB-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCCO1 ZINC000172493881 1039922797 /nfs/dbraw/zinc/92/27/97/1039922797.db2.gz FQFAEECMDLEILB-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCCO1 ZINC000172493881 1039922806 /nfs/dbraw/zinc/92/28/06/1039922806.db2.gz FQFAEECMDLEILB-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CCc1ccc([C@H](COC)NCc2cc(Cl)ccc2O)o1 ZINC000174480488 1040647121 /nfs/dbraw/zinc/64/71/21/1040647121.db2.gz DGQJRRFVASCSOB-AWEZNQCLSA-N 0 1 309.793 3.678 20 10 DHCDMN COc1ccc(CN(C)Cc2ccccc2O)c(Cl)c1OC ZINC000091974687 193134912 /nfs/dbraw/zinc/13/49/12/193134912.db2.gz DKRKVKUMBTXCLD-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COCC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000272624386 130046806 /nfs/dbraw/zinc/04/68/06/130046806.db2.gz YXECOIWOUJZUOS-YOEHRIQHSA-N 0 1 302.418 3.774 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)cn1 ZINC000274915489 130273004 /nfs/dbraw/zinc/27/30/04/130273004.db2.gz OEWBEWQJDGWDCJ-CYBMUJFWSA-N 0 1 315.848 3.968 20 10 DHCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cncc(F)c1 ZINC000275168954 130294870 /nfs/dbraw/zinc/29/48/70/130294870.db2.gz WQNUBFRNYCXZMI-UHFFFAOYSA-N 0 1 313.420 3.843 20 10 DHCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000295243059 335134478 /nfs/dbraw/zinc/13/44/78/335134478.db2.gz PKBZZRDSQAVCNF-GFCCVEGCSA-N 0 1 318.244 3.682 20 10 DHCDMN CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185605722 333370366 /nfs/dbraw/zinc/37/03/66/333370366.db2.gz OXZNEEIXSDTLSY-LSDHHAIUSA-N 0 1 301.430 3.995 20 10 DHCDMN COc1ccc([C@H](C)NCc2ccc(OC)c(C)c2)c(OC)c1 ZINC000042230691 336239255 /nfs/dbraw/zinc/23/92/55/336239255.db2.gz ZXJUTVUAUZXURN-AWEZNQCLSA-N 0 1 315.413 3.872 20 10 DHCDMN CC(C)[C@@H](NCc1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000368851109 336853995 /nfs/dbraw/zinc/85/39/95/336853995.db2.gz OLXAOLWNIDWSIE-QGZVFWFLSA-N 0 1 323.396 3.929 20 10 DHCDMN COc1cccc(CN2CCSC[C@@H]2c2cccs2)c1O ZINC000377251313 337049445 /nfs/dbraw/zinc/04/94/45/337049445.db2.gz PXTPPXHJJBQZSF-CYBMUJFWSA-N 0 1 321.467 3.752 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CCC[C@H]2c2nccs2)c1 ZINC000377641771 337057179 /nfs/dbraw/zinc/05/71/79/337057179.db2.gz AVBUBJAKGIZWHX-RISCZKNCSA-N 0 1 304.415 3.755 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000377692530 337058423 /nfs/dbraw/zinc/05/84/23/337058423.db2.gz JDIPYTDWXIGRLF-CQSZACIVSA-N 0 1 306.768 3.917 20 10 DHCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000378636942 337077390 /nfs/dbraw/zinc/07/73/90/337077390.db2.gz YKMXGDQMQKAIEI-LBPRGKRZSA-N 0 1 304.217 3.700 20 10 DHCDMN Cc1cc(C=C2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000360040970 337084244 /nfs/dbraw/zinc/08/42/44/337084244.db2.gz OVCOZUBXUPBGBI-UHFFFAOYSA-N 0 1 311.429 3.728 20 10 DHCDMN Cc1ccc([C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)o1 ZINC000180643828 337176922 /nfs/dbraw/zinc/17/69/22/337176922.db2.gz UFMOUTCYVQFORT-HNNXBMFYSA-N 0 1 307.777 3.521 20 10 DHCDMN Cc1ccc([C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)o1 ZINC000180643828 337176923 /nfs/dbraw/zinc/17/69/23/337176923.db2.gz UFMOUTCYVQFORT-HNNXBMFYSA-N 0 1 307.777 3.521 20 10 DHCDMN Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)o1 ZINC000180643828 337176924 /nfs/dbraw/zinc/17/69/24/337176924.db2.gz UFMOUTCYVQFORT-HNNXBMFYSA-N 0 1 307.777 3.521 20 10 DHCDMN CC[C@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339131 337191285 /nfs/dbraw/zinc/19/12/85/337191285.db2.gz DLODATFYCJUOHX-YOEHRIQHSA-N 0 1 322.412 3.775 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000191293072 337295399 /nfs/dbraw/zinc/29/53/99/337295399.db2.gz YIAWRCIOVHBINN-GFCCVEGCSA-N 0 1 309.772 3.635 20 10 DHCDMN Cc1c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cnn1C(C)C ZINC000191240311 525896450 /nfs/dbraw/zinc/89/64/50/525896450.db2.gz BHSZHUPRLHQIMG-CYBMUJFWSA-N 0 1 318.440 3.828 20 10 DHCDMN Cc1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000738382891 599841892 /nfs/dbraw/zinc/84/18/92/599841892.db2.gz ONVMWDBJFBMKIQ-HNNXBMFYSA-N 0 1 319.445 3.827 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C(=O)[O-] ZINC000737020941 600099166 /nfs/dbraw/zinc/09/91/66/600099166.db2.gz OBWNTBODGMNTFK-UHFFFAOYSA-N 0 1 317.360 3.642 20 10 DHCDMN O=C([O-])c1ccoc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000740249236 600149029 /nfs/dbraw/zinc/14/90/29/600149029.db2.gz SGNXHALKYQOXOM-UHFFFAOYSA-N 0 1 315.369 3.628 20 10 DHCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000833496903 604643952 /nfs/dbraw/zinc/64/39/52/604643952.db2.gz MDYNPKJXYJOPOI-UHFFFAOYSA-N 0 1 313.397 3.744 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)C=CC4)cc2)CC1 ZINC001167434909 1014355069 /nfs/dbraw/zinc/35/50/69/1014355069.db2.gz ZCJUPBNHJKMQCJ-UHFFFAOYSA-N 0 1 319.452 3.620 20 10 DHCDMN Cc1ccccc1CC[NH2+]Cc1c([O-])cccc1Br ZINC000706808344 1014587967 /nfs/dbraw/zinc/58/79/67/1014587967.db2.gz KDPHBJJCLJNDPT-UHFFFAOYSA-N 0 1 320.230 3.795 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000706842135 1014652606 /nfs/dbraw/zinc/65/26/06/1014652606.db2.gz OAMLCHAHNUUBDB-VIFPVBQESA-N 0 1 320.177 3.822 20 10 DHCDMN CCC[C@@H](C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595577966 981497468 /nfs/dbraw/zinc/49/74/68/981497468.db2.gz DBTJPSPXFSKLFL-LLVKDONJSA-N 0 1 306.381 3.636 20 10 DHCDMN Oc1ccccc1CN(Cc1ccco1)C[C@@H]1CCCCO1 ZINC000070975725 1014815424 /nfs/dbraw/zinc/81/54/24/1014815424.db2.gz KAXMRJYRLQCRHG-INIZCTEOSA-N 0 1 301.386 3.557 20 10 DHCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])ccn1 ZINC000834859577 1014822201 /nfs/dbraw/zinc/82/22/01/1014822201.db2.gz DRYCRIMCEOJWMK-NSHDSACASA-N 0 1 321.218 3.709 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896228880 1015514416 /nfs/dbraw/zinc/51/44/16/1015514416.db2.gz VKEBVUQTQZOMGU-LBPRGKRZSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896228880 1015514421 /nfs/dbraw/zinc/51/44/21/1015514421.db2.gz VKEBVUQTQZOMGU-LBPRGKRZSA-N 0 1 323.717 3.912 20 10 DHCDMN CC[C@@H](N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccccc1O ZINC000277097129 1015871514 /nfs/dbraw/zinc/87/15/14/1015871514.db2.gz GULJBDKSKXWBRT-SGMGOOAPSA-N 0 1 302.422 3.826 20 10 DHCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234228 1016090736 /nfs/dbraw/zinc/09/07/36/1016090736.db2.gz MPBFERVZEQOQAA-RWMBFGLXSA-N 0 1 302.422 3.744 20 10 DHCDMN CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)ccc2[O-])c1C ZINC000877664190 1033402069 /nfs/dbraw/zinc/40/20/69/1033402069.db2.gz MKBJOALJFWXYOW-UHFFFAOYSA-N 0 1 307.825 3.511 20 10 DHCDMN CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1C ZINC000877664190 1033402076 /nfs/dbraw/zinc/40/20/76/1033402076.db2.gz MKBJOALJFWXYOW-UHFFFAOYSA-N 0 1 307.825 3.511 20 10 DHCDMN CCn1nc(C)c(CN(C)Cc2cc(Cl)ccc2O)c1C ZINC000877664190 1033402084 /nfs/dbraw/zinc/40/20/84/1033402084.db2.gz MKBJOALJFWXYOW-UHFFFAOYSA-N 0 1 307.825 3.511 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000773135301 1032568990 /nfs/dbraw/zinc/56/89/90/1032568990.db2.gz COGVFAIKZFPSCP-KBPBESRZSA-N 0 1 315.465 3.796 20 10 DHCDMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000160148912 1011900249 /nfs/dbraw/zinc/90/02/49/1011900249.db2.gz OSXDTRSWQJQKGA-CABCVRRESA-N 0 1 300.402 3.528 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921527 1017483896 /nfs/dbraw/zinc/48/38/96/1017483896.db2.gz VEVKZOLFICSJRA-KBPBESRZSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921527 1017483903 /nfs/dbraw/zinc/48/39/03/1017483903.db2.gz VEVKZOLFICSJRA-KBPBESRZSA-N 0 1 309.837 3.603 20 10 DHCDMN CSC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000701058569 1017997221 /nfs/dbraw/zinc/99/72/21/1017997221.db2.gz OVMBBALWYMHNSQ-UHFFFAOYSA-N 0 1 316.264 3.530 20 10 DHCDMN CC[C@H]([NH2+]CC[C@H](C)F)c1cc(Br)ccc1[O-] ZINC000702632897 1018222568 /nfs/dbraw/zinc/22/25/68/1018222568.db2.gz KVDNIECDICWUAQ-CABZTGNLSA-N 0 1 304.203 3.944 20 10 DHCDMN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858090678 1032763108 /nfs/dbraw/zinc/76/31/08/1032763108.db2.gz PWQXTRZXLWXNTF-UHFFFAOYSA-N 0 1 308.347 3.768 20 10 DHCDMN CCOc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858109076 1032768147 /nfs/dbraw/zinc/76/81/47/1032768147.db2.gz MHGXKGCVQMTYIN-UHFFFAOYSA-N 0 1 320.383 3.719 20 10 DHCDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccncc1 ZINC000858143992 1032781240 /nfs/dbraw/zinc/78/12/40/1032781240.db2.gz DBMNVJFIMHQVFY-CQSZACIVSA-N 0 1 321.218 3.791 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(F)F ZINC000708140605 1018837097 /nfs/dbraw/zinc/83/70/97/1018837097.db2.gz XTICIUWOKYLASK-RXMQYKEDSA-N 0 1 314.557 3.551 20 10 DHCDMN c1csc(SC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000278577564 1018861721 /nfs/dbraw/zinc/86/17/21/1018861721.db2.gz OLLSUQMVIRKZHF-OAHLLOKOSA-N 0 1 320.483 3.526 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])[C@@H](C)C1 ZINC000715714127 1018950461 /nfs/dbraw/zinc/95/04/61/1018950461.db2.gz VQUKDHIZYCEVRX-ZJUUUORDSA-N 0 1 316.214 3.914 20 10 DHCDMN CS[C@H](C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134937348 1019051058 /nfs/dbraw/zinc/05/10/58/1019051058.db2.gz SSEHJMSMWCPMPV-RKDXNWHRSA-N 0 1 304.253 3.557 20 10 DHCDMN CS[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134937304 1019051711 /nfs/dbraw/zinc/05/17/11/1019051711.db2.gz SSEHJMSMWCPMPV-BDAKNGLRSA-N 0 1 304.253 3.557 20 10 DHCDMN Oc1c(F)cc(Br)cc1CN1Cc2ccccc2C1 ZINC000715727229 1019203530 /nfs/dbraw/zinc/20/35/30/1019203530.db2.gz XPVNHKWGUAUWGK-UHFFFAOYSA-N 0 1 322.177 3.810 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000271205605 1019737383 /nfs/dbraw/zinc/73/73/83/1019737383.db2.gz KAXMQKWNGACHHB-UHFFFAOYSA-N 0 1 316.228 3.702 20 10 DHCDMN CC[N@@H+](Cc1ccccc1O)Cc1c(OC)cc(C)cc1OC ZINC001143143886 1019989163 /nfs/dbraw/zinc/98/91/63/1019989163.db2.gz BFZZBNCMJGAPEW-UHFFFAOYSA-N 0 1 315.413 3.740 20 10 DHCDMN CCN(Cc1ccccc1O)Cc1c(OC)cc(C)cc1OC ZINC001143143886 1019989176 /nfs/dbraw/zinc/98/91/76/1019989176.db2.gz BFZZBNCMJGAPEW-UHFFFAOYSA-N 0 1 315.413 3.740 20 10 DHCDMN CN(CC[N@H+](C)Cc1c([O-])ccc2ccncc21)c1ccccc1 ZINC000730804776 1020030458 /nfs/dbraw/zinc/03/04/58/1020030458.db2.gz ZTMZZVYAWQBYHT-UHFFFAOYSA-N 0 1 321.424 3.509 20 10 DHCDMN CN(CC[N@@H+](C)Cc1c([O-])ccc2ccncc21)c1ccccc1 ZINC000730804776 1020030479 /nfs/dbraw/zinc/03/04/79/1020030479.db2.gz ZTMZZVYAWQBYHT-UHFFFAOYSA-N 0 1 321.424 3.509 20 10 DHCDMN CCN(CC)c1ccc(CNCc2nc3c(s2)CCC3)cc1 ZINC000922474310 1020092963 /nfs/dbraw/zinc/09/29/63/1020092963.db2.gz AXBQHHXVQZOGMY-UHFFFAOYSA-N 0 1 315.486 3.768 20 10 DHCDMN CCCCc1nc2ccc(NC(=O)C3=CC(=O)CS3)cc2[nH]1 ZINC000732277625 1020217320 /nfs/dbraw/zinc/21/73/20/1020217320.db2.gz PGLUPQFSCJICKG-UHFFFAOYSA-N 0 1 315.398 3.925 20 10 DHCDMN CCOCc1cc(CNCc2ncc(C)cc2C)ccc1OC ZINC000922746651 1020246655 /nfs/dbraw/zinc/24/66/55/1020246655.db2.gz XFPZMYHSXYKXFP-UHFFFAOYSA-N 0 1 314.429 3.533 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCN1CCCc2ccccc21 ZINC000733325900 1020371247 /nfs/dbraw/zinc/37/12/47/1020371247.db2.gz XBTGYDQPRAODGQ-UHFFFAOYSA-N 0 1 316.832 3.588 20 10 DHCDMN CCN(CC)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000733326068 1020372989 /nfs/dbraw/zinc/37/29/89/1020372989.db2.gz HDFVIDHUUBIFKX-HNNXBMFYSA-N 0 1 322.836 3.811 20 10 DHCDMN Cc1ccc(OCCC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000733327463 1020375212 /nfs/dbraw/zinc/37/52/12/1020375212.db2.gz RNQPCAMJUCVAHF-UHFFFAOYSA-N 0 1 305.805 3.913 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(Cl)ccc1[O-] ZINC000858452513 1032902382 /nfs/dbraw/zinc/90/23/82/1032902382.db2.gz DWTPNVKFQZRGBK-WBMJQRKESA-N 0 1 317.816 3.838 20 10 DHCDMN Cc1cc(CN[C@H](C)c2cnccn2)c(C)n1-c1ccccc1 ZINC000858543446 1032937335 /nfs/dbraw/zinc/93/73/35/1032937335.db2.gz SLXVCCJXAHBROL-OAHLLOKOSA-N 0 1 306.413 3.735 20 10 DHCDMN CCOc1ccc(CN[C@](C)(CC)c2nccs2)c(O)c1 ZINC000740014893 1020927302 /nfs/dbraw/zinc/92/73/02/1020927302.db2.gz YINXVHDYAKCDNH-MRXNPFEDSA-N 0 1 306.431 3.662 20 10 DHCDMN Cc1ccc(O[C@@H](C)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000742380770 1021108642 /nfs/dbraw/zinc/10/86/42/1021108642.db2.gz SWBHRJBBMQWEJQ-ZDUSSCGKSA-N 0 1 305.805 3.911 20 10 DHCDMN Cc1cnc([C@H](NCc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000742378091 1021115321 /nfs/dbraw/zinc/11/53/21/1021115321.db2.gz VWSMDSJHJGDEIY-MRXNPFEDSA-N 0 1 301.459 3.758 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000850412462 1021516992 /nfs/dbraw/zinc/51/69/92/1021516992.db2.gz YMMCKFIZNZABFU-SCLBCKFNSA-N 0 1 319.832 3.608 20 10 DHCDMN CCc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000744436751 1021539239 /nfs/dbraw/zinc/53/92/39/1021539239.db2.gz SRTGEZRDXUXHMH-IYBDPMFKSA-N 0 1 303.446 3.615 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850488293 1021561398 /nfs/dbraw/zinc/56/13/98/1021561398.db2.gz MTERHSCQQIHGSR-ZIAGYGMSSA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(Cl)cc1[O-] ZINC000850565970 1021609403 /nfs/dbraw/zinc/60/94/03/1021609403.db2.gz INUUUCUIOYLTIU-JTQLQIEISA-N 0 1 319.779 3.637 20 10 DHCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085077 1021670063 /nfs/dbraw/zinc/67/00/63/1021670063.db2.gz UWVMWIZFHVECDJ-SNVBAGLBSA-N 0 1 304.217 3.700 20 10 DHCDMN C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1ccccc1O ZINC000109770818 1021745918 /nfs/dbraw/zinc/74/59/18/1021745918.db2.gz AXCXRONJFAVRIK-GFCCVEGCSA-N 0 1 318.804 3.505 20 10 DHCDMN CN(Cc1ccccc1O)Cc1ccccc1Br ZINC000109768873 1021746253 /nfs/dbraw/zinc/74/62/53/1021746253.db2.gz OHEBREDCFYIHNC-UHFFFAOYSA-N 0 1 306.203 3.787 20 10 DHCDMN CCOc1ccc(O)c(CNC2(c3nccs3)CCCC2)c1 ZINC000116374661 1033015628 /nfs/dbraw/zinc/01/56/28/1033015628.db2.gz PUULMSGCDWWMHY-UHFFFAOYSA-N 0 1 318.442 3.807 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cc(C)nc(C)n2)cc1 ZINC000851717281 1021972596 /nfs/dbraw/zinc/97/25/96/1021972596.db2.gz VRAXBAYXECXRTO-UHFFFAOYSA-N 0 1 312.461 3.572 20 10 DHCDMN CN(Cc1ccccc1O)Cc1cc(F)ccc1OC(F)F ZINC000851840585 1022019610 /nfs/dbraw/zinc/01/96/10/1022019610.db2.gz HYHAAEIBMPUXEW-UHFFFAOYSA-N 0 1 311.303 3.765 20 10 DHCDMN Cc1ccc2[nH]c(CN[C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000766377885 1022086922 /nfs/dbraw/zinc/08/69/22/1022086922.db2.gz NCDCCZHPIHJVNN-AWEZNQCLSA-N 0 1 308.429 3.788 20 10 DHCDMN Cc1ccc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000766377885 1022086939 /nfs/dbraw/zinc/08/69/39/1022086939.db2.gz NCDCCZHPIHJVNN-AWEZNQCLSA-N 0 1 308.429 3.788 20 10 DHCDMN CC1(C)CC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000852698371 1022162726 /nfs/dbraw/zinc/16/27/26/1022162726.db2.gz PYPLIGIWHHLQDO-UHFFFAOYSA-N 0 1 317.216 3.687 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(C(C)C)CC2)c1[O-] ZINC001169506649 1022429694 /nfs/dbraw/zinc/42/96/94/1022429694.db2.gz AXMXMKBWDALKJQ-UHFFFAOYSA-N 0 1 307.409 3.992 20 10 DHCDMN COc1ccc2oc(CNCc3ccc4c(c3)CCO4)cc2c1 ZINC000763462897 1022435557 /nfs/dbraw/zinc/43/55/57/1022435557.db2.gz NUFIFDGSVWJHHZ-UHFFFAOYSA-N 0 1 309.365 3.666 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2c(F)cccc2OC)c1 ZINC000185566642 1022503103 /nfs/dbraw/zinc/50/31/03/1022503103.db2.gz NURZQKQGXVFRGW-RYUDHWBXSA-N 0 1 319.376 3.960 20 10 DHCDMN COc1ccc(O)c(CN(C)[C@@H](C)c2cc(F)ccc2F)c1 ZINC000179683256 1022509619 /nfs/dbraw/zinc/50/96/19/1022509619.db2.gz OHBQKBOOSRINAA-NSHDSACASA-N 0 1 307.340 3.872 20 10 DHCDMN Cc1cccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1O ZINC000179695356 1022511423 /nfs/dbraw/zinc/51/14/23/1022511423.db2.gz OHLCYYAOXCCUEL-UHFFFAOYSA-N 0 1 312.369 3.773 20 10 DHCDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000768171652 1022910625 /nfs/dbraw/zinc/91/06/25/1022910625.db2.gz FXMDYRJYLTUPOA-WMZOPIPTSA-N 0 1 302.462 3.676 20 10 DHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000768175537 1022913649 /nfs/dbraw/zinc/91/36/49/1022913649.db2.gz SWBXOMCQWKRHIY-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN CCc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000768256291 1022933567 /nfs/dbraw/zinc/93/35/67/1022933567.db2.gz AVXCTBXHJHKBCH-UHFFFAOYSA-N 0 1 315.486 3.936 20 10 DHCDMN COc1cccc(O)c1CN(Cc1cccc(F)c1)C1CC1 ZINC000768257564 1022934274 /nfs/dbraw/zinc/93/42/74/1022934274.db2.gz MXBZXTTVWSOKCZ-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc3ccccc3o2)c1 ZINC000181229327 1022998139 /nfs/dbraw/zinc/99/81/39/1022998139.db2.gz SHYHSIAAXFMWHJ-RYUDHWBXSA-N 0 1 312.369 3.954 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2c([O-])cccc2Cl)cc1C ZINC000769232830 1023103532 /nfs/dbraw/zinc/10/35/32/1023103532.db2.gz NQUHCFBWNHIDSV-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)cc1C ZINC000769232830 1023103537 /nfs/dbraw/zinc/10/35/37/1023103537.db2.gz NQUHCFBWNHIDSV-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000769246316 1023107788 /nfs/dbraw/zinc/10/77/88/1023107788.db2.gz ZMPMLEWADLMCAG-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000769246316 1023107792 /nfs/dbraw/zinc/10/77/92/1023107792.db2.gz ZMPMLEWADLMCAG-CQSZACIVSA-N 0 1 310.235 3.919 20 10 DHCDMN CCOc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(O)c1 ZINC000769491839 1023165211 /nfs/dbraw/zinc/16/52/11/1023165211.db2.gz FRWVSYKDKWGPGA-SFHVURJKSA-N 0 1 319.445 3.715 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000769493008 1023165959 /nfs/dbraw/zinc/16/59/59/1023165959.db2.gz QDTYFOYHLFZQRB-MRXNPFEDSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000769493008 1023165961 /nfs/dbraw/zinc/16/59/61/1023165961.db2.gz QDTYFOYHLFZQRB-MRXNPFEDSA-N 0 1 309.837 3.969 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccsc2)cc1 ZINC000769986012 1023256177 /nfs/dbraw/zinc/25/61/77/1023256177.db2.gz GIRDETNIPZVADQ-DYVFJYSZSA-N 0 1 304.459 3.588 20 10 DHCDMN Clc1sccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000312885324 1023313989 /nfs/dbraw/zinc/31/39/89/1023313989.db2.gz ZQHNFUDFJOJTMR-UHFFFAOYSA-N 0 1 322.861 3.528 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2scnc2C2CC2)cc1 ZINC000787040957 1023752864 /nfs/dbraw/zinc/75/28/64/1023752864.db2.gz LLUKTKLUOVYIHQ-UHFFFAOYSA-N 0 1 301.459 3.719 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000093558813 1023773485 /nfs/dbraw/zinc/77/34/85/1023773485.db2.gz HYYTUFNIPICGJB-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000093558814 1023773584 /nfs/dbraw/zinc/77/35/84/1023773584.db2.gz HYYTUFNIPICGJB-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093558526 1023773957 /nfs/dbraw/zinc/77/39/57/1023773957.db2.gz QBXPNAXBVSKBRY-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093558526 1023773959 /nfs/dbraw/zinc/77/39/59/1023773959.db2.gz QBXPNAXBVSKBRY-SNVBAGLBSA-N 0 1 318.280 3.728 20 10 DHCDMN COc1cccc(O)c1CNCc1cc(F)c(Cl)cc1F ZINC000788531994 1023906288 /nfs/dbraw/zinc/90/62/88/1023906288.db2.gz JUQOEBHLZKRULB-UHFFFAOYSA-N 0 1 313.731 3.622 20 10 DHCDMN CCc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000131243200 1024298670 /nfs/dbraw/zinc/29/86/70/1024298670.db2.gz XTKMBAYPMVHJCX-OAHLLOKOSA-N 0 1 314.429 3.529 20 10 DHCDMN CCCC1CCC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000790480958 1024310785 /nfs/dbraw/zinc/31/07/85/1024310785.db2.gz OEMVNGRSZCFZGU-RWKZGTHUSA-N 0 1 319.445 3.609 20 10 DHCDMN CCCC1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000790480958 1024310797 /nfs/dbraw/zinc/31/07/97/1024310797.db2.gz OEMVNGRSZCFZGU-RWKZGTHUSA-N 0 1 319.445 3.609 20 10 DHCDMN CCCC1CCC([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000790480957 1024312696 /nfs/dbraw/zinc/31/26/96/1024312696.db2.gz OEMVNGRSZCFZGU-LEHRNKBSSA-N 0 1 319.445 3.609 20 10 DHCDMN CCCC1CCC([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000790480957 1024312712 /nfs/dbraw/zinc/31/27/12/1024312712.db2.gz OEMVNGRSZCFZGU-LEHRNKBSSA-N 0 1 319.445 3.609 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000105444589 1024378584 /nfs/dbraw/zinc/37/85/84/1024378584.db2.gz LWOLDDARJKVIKH-LBPRGKRZSA-N 0 1 318.214 3.584 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000105461416 1024385023 /nfs/dbraw/zinc/38/50/23/1024385023.db2.gz NUARSCSRQJAYHR-SNVBAGLBSA-N 0 1 322.202 3.711 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1cccc(O)c1 ZINC000105461412 1024385814 /nfs/dbraw/zinc/38/58/14/1024385814.db2.gz NUARSCSRQJAYHR-JTQLQIEISA-N 0 1 322.202 3.711 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000105477692 1024388136 /nfs/dbraw/zinc/38/81/36/1024388136.db2.gz RMIBFZUVSBXTSJ-UHFFFAOYSA-N 0 1 313.731 3.937 20 10 DHCDMN Cc1cc([C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)on1 ZINC000792167672 1024641980 /nfs/dbraw/zinc/64/19/80/1024641980.db2.gz XZXORWRFROYKPL-GFCCVEGCSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000792179069 1024643297 /nfs/dbraw/zinc/64/32/97/1024643297.db2.gz FOCXEJOFLZRHPZ-LBPRGKRZSA-N 0 1 313.800 3.576 20 10 DHCDMN CCCN(Cc1ccccc1O)[C@@H](CC)C(=O)OC(C)(C)C ZINC000792233607 1024650438 /nfs/dbraw/zinc/65/04/38/1024650438.db2.gz REAPDXKDXKXEAG-HNNXBMFYSA-N 0 1 307.434 3.725 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCS1 ZINC000133568151 1024718334 /nfs/dbraw/zinc/71/83/34/1024718334.db2.gz NKVRJUYVPLFWLU-ZDUSSCGKSA-N 0 1 316.264 3.530 20 10 DHCDMN CCCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000113339790 1024797693 /nfs/dbraw/zinc/79/76/93/1024797693.db2.gz FBLLJWLESRXSBS-UHFFFAOYSA-N 0 1 306.793 3.519 20 10 DHCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000793214292 1024934500 /nfs/dbraw/zinc/93/45/00/1024934500.db2.gz MMKZGKQDBCTXOR-LKFCYVNXSA-N 0 1 316.228 3.698 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000793214292 1024934509 /nfs/dbraw/zinc/93/45/09/1024934509.db2.gz MMKZGKQDBCTXOR-LKFCYVNXSA-N 0 1 316.228 3.698 20 10 DHCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793232602 1024948246 /nfs/dbraw/zinc/94/82/46/1024948246.db2.gz ZIPYVUYQYIQKNB-GMSGAONNSA-N 0 1 311.706 3.957 20 10 DHCDMN COc1cc(C)cc(CN2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000793573485 1025126362 /nfs/dbraw/zinc/12/63/62/1025126362.db2.gz OOKYRQVUCXUGBS-GOSISDBHSA-N 0 1 312.413 3.687 20 10 DHCDMN Cc1cnc([C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000794257223 1025243656 /nfs/dbraw/zinc/24/36/56/1025243656.db2.gz LISAHESSNIWGAI-KRWDZBQOSA-N 0 1 324.472 3.968 20 10 DHCDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877341940 1033287045 /nfs/dbraw/zinc/28/70/45/1033287045.db2.gz HLWRKUSIBLDTBX-NHYWBVRUSA-N 0 1 304.340 3.649 20 10 DHCDMN O=C(NCCCC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000805132099 1025539554 /nfs/dbraw/zinc/53/95/54/1025539554.db2.gz PDXOFEVNPTYIOD-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN CC[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000076118432 1025861834 /nfs/dbraw/zinc/86/18/34/1025861834.db2.gz RFWCGHJVLBKWBE-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(Br)ccc1[O-] ZINC000076118432 1025861841 /nfs/dbraw/zinc/86/18/41/1025861841.db2.gz RFWCGHJVLBKWBE-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN Cc1ccoc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836993 1026131981 /nfs/dbraw/zinc/13/19/81/1026131981.db2.gz XCXXAROVIMRYBH-UHFFFAOYSA-N 0 1 300.141 3.530 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1[O-] ZINC000808702407 1026375292 /nfs/dbraw/zinc/37/52/92/1026375292.db2.gz GXSYOZCLKLYLHE-YUDUHTQSSA-N 0 1 309.837 3.962 20 10 DHCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700476 1026587080 /nfs/dbraw/zinc/58/70/80/1026587080.db2.gz HJLOGJGLSBXILM-BXUZGUMPSA-N 0 1 315.816 3.700 20 10 DHCDMN Cc1ccc(F)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000809713702 1026602036 /nfs/dbraw/zinc/60/20/36/1026602036.db2.gz YTFBCELQGBRHGN-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN CC[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(C)cc1O ZINC000280265634 1026622919 /nfs/dbraw/zinc/62/29/19/1026622919.db2.gz XMMSPSJRZOINCO-JKSUJKDBSA-N 0 1 321.367 3.753 20 10 DHCDMN CCCOc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)c(O)c1 ZINC000280388907 1026641685 /nfs/dbraw/zinc/64/16/85/1026641685.db2.gz WRUJCSPEUFZLSN-GOSISDBHSA-N 0 1 307.434 3.572 20 10 DHCDMN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217593 1026708784 /nfs/dbraw/zinc/70/87/84/1026708784.db2.gz HYNOGSQZHFBKLX-HIFRSBDPSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H](CCO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220363 1026710964 /nfs/dbraw/zinc/71/09/64/1026710964.db2.gz WDYQMPVHAREBFH-AAEUAGOBSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227788 1026712786 /nfs/dbraw/zinc/71/27/86/1026712786.db2.gz JMZQYWVRYJZMMZ-GXTWGEPZSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238590 1026725031 /nfs/dbraw/zinc/72/50/31/1026725031.db2.gz LAYAMDUJPKWYGI-OUJBWJOFSA-N 0 1 305.340 3.875 20 10 DHCDMN CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238817 1026725970 /nfs/dbraw/zinc/72/59/70/1026725970.db2.gz NTBPPWXYDILCRG-GXFFZTMASA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810257016 1026731767 /nfs/dbraw/zinc/73/17/67/1026731767.db2.gz LAYAMDUJPKWYGI-GIPNMCIBSA-N 0 1 305.340 3.875 20 10 DHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000271805658 1027150276 /nfs/dbraw/zinc/15/02/76/1027150276.db2.gz LNKNWJXYHZUABU-INIZCTEOSA-N 0 1 305.805 3.601 20 10 DHCDMN CCN(CC)c1ccc(CN2CCCC[C@H](F)C2)c(OC)c1 ZINC001138386819 1027454417 /nfs/dbraw/zinc/45/44/17/1027454417.db2.gz XIQVGIOUOGIQTO-INIZCTEOSA-N 0 1 308.441 3.865 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2ncc(C(C)C)s2)c1 ZINC000813331153 1027609568 /nfs/dbraw/zinc/60/95/68/1027609568.db2.gz MAKFDTLGVVIMQL-NSHDSACASA-N 0 1 306.431 3.832 20 10 DHCDMN O=C(/C=C\c1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683474 1027695898 /nfs/dbraw/zinc/69/58/98/1027695898.db2.gz QDJNWYIWFGUOFE-ARJAWSKDSA-N 0 1 312.152 3.622 20 10 DHCDMN CCc1nc(C)c(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000813886386 1027754620 /nfs/dbraw/zinc/75/46/20/1027754620.db2.gz AZHRSHAKRFLHDQ-BXKDBHETSA-N 0 1 304.365 3.728 20 10 DHCDMN C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015112 1027818510 /nfs/dbraw/zinc/81/85/10/1027818510.db2.gz MYYBRUAYDAYNPL-HZPDHXFCSA-N 0 1 303.446 3.952 20 10 DHCDMN C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000779015112 1027818515 /nfs/dbraw/zinc/81/85/15/1027818515.db2.gz MYYBRUAYDAYNPL-HZPDHXFCSA-N 0 1 303.446 3.952 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000779025231 1027910319 /nfs/dbraw/zinc/91/03/19/1027910319.db2.gz DZAPVPPETADSQZ-UAGQMJEPSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000779025231 1027910342 /nfs/dbraw/zinc/91/03/42/1027910342.db2.gz DZAPVPPETADSQZ-UAGQMJEPSA-N 0 1 307.409 3.557 20 10 DHCDMN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000779025231 1027910361 /nfs/dbraw/zinc/91/03/61/1027910361.db2.gz DZAPVPPETADSQZ-UAGQMJEPSA-N 0 1 307.409 3.557 20 10 DHCDMN Cc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000815009605 1028326175 /nfs/dbraw/zinc/32/61/75/1028326175.db2.gz HHAGUNCGHNQXEE-UHFFFAOYSA-N 0 1 313.401 3.601 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000368370192 1028345103 /nfs/dbraw/zinc/34/51/03/1028345103.db2.gz NPZLNDAGYSHHDP-QLJPJBMISA-N 0 1 323.845 3.899 20 10 DHCDMN Oc1ccc(Br)cc1CNc1cc2c(cn1)CCC2 ZINC000815159050 1028386791 /nfs/dbraw/zinc/38/67/91/1028386791.db2.gz GUNROQLVXUUIFY-UHFFFAOYSA-N 0 1 319.202 3.651 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCCC3(CCOCC3)C2)ccc2ccccc21 ZINC000816513469 1028911204 /nfs/dbraw/zinc/91/12/04/1028911204.db2.gz RCJPDNIYORQQIR-UHFFFAOYSA-N 0 1 311.425 3.938 20 10 DHCDMN [O-]c1c(C[N@H+]2CCCC3(CCOCC3)C2)ccc2ccccc21 ZINC000816513469 1028911209 /nfs/dbraw/zinc/91/12/09/1028911209.db2.gz RCJPDNIYORQQIR-UHFFFAOYSA-N 0 1 311.425 3.938 20 10 DHCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000816529003 1028921149 /nfs/dbraw/zinc/92/11/49/1028921149.db2.gz BUQNNWDNOMACEO-UHFFFAOYSA-N 0 1 312.457 3.900 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc2ccccc21 ZINC000816532452 1028923326 /nfs/dbraw/zinc/92/33/26/1028923326.db2.gz HWFKTKHGEXIGGG-KRWDZBQOSA-N 0 1 305.377 3.639 20 10 DHCDMN C[C@H](CCO)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816560280 1028945504 /nfs/dbraw/zinc/94/55/04/1028945504.db2.gz KKSDFLPXZHJAQC-OAHLLOKOSA-N 0 1 313.441 3.824 20 10 DHCDMN CSc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccn1 ZINC000816564488 1028945546 /nfs/dbraw/zinc/94/55/46/1028945546.db2.gz HTRVXMJHZHIDQI-UHFFFAOYSA-N 0 1 310.422 3.952 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560476 1028945896 /nfs/dbraw/zinc/94/58/96/1028945896.db2.gz PZEXEYQYYOJPAV-IBGZPJMESA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc2ccccc21 ZINC000816560476 1028945909 /nfs/dbraw/zinc/94/59/09/1028945909.db2.gz PZEXEYQYYOJPAV-IBGZPJMESA-N 0 1 311.425 3.936 20 10 DHCDMN O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816559754 1028946009 /nfs/dbraw/zinc/94/60/09/1028946009.db2.gz UBOMCVOMBIZCDP-UHFFFAOYSA-N 0 1 322.364 3.786 20 10 DHCDMN COc1ccc(F)cc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816574813 1028952266 /nfs/dbraw/zinc/95/22/66/1028952266.db2.gz SNVVQPDEFWVHSY-UHFFFAOYSA-N 0 1 311.356 3.983 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000816574908 1028952739 /nfs/dbraw/zinc/95/27/39/1028952739.db2.gz WJMNMDUQIZLULA-CYBMUJFWSA-N 0 1 313.800 3.576 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc2ccccc21 ZINC000816603441 1028956667 /nfs/dbraw/zinc/95/66/67/1028956667.db2.gz IBRGGCDGXFVKFW-UHFFFAOYSA-N 0 1 317.392 3.754 20 10 DHCDMN Cn1nccc1C1=CC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816607904 1028958835 /nfs/dbraw/zinc/95/88/35/1028958835.db2.gz JDYGTULZJJCVAD-UHFFFAOYSA-N 0 1 319.408 3.568 20 10 DHCDMN Cn1nccc1C1=CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816607904 1028958848 /nfs/dbraw/zinc/95/88/48/1028958848.db2.gz JDYGTULZJJCVAD-UHFFFAOYSA-N 0 1 319.408 3.568 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666366 1028983874 /nfs/dbraw/zinc/98/38/74/1028983874.db2.gz LNNPJZXRPKQCFA-PMACEKPBSA-N 0 1 309.409 3.689 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000817974693 1029310272 /nfs/dbraw/zinc/31/02/72/1029310272.db2.gz NRGPHVOKPWTMPL-SJCJKPOMSA-N 0 1 316.832 3.583 20 10 DHCDMN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779400742 1029312547 /nfs/dbraw/zinc/31/25/47/1029312547.db2.gz PZQQZHWPIBLJBE-GOSISDBHSA-N 0 1 300.377 3.643 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccnn1C1CCC1 ZINC000924862930 1030212167 /nfs/dbraw/zinc/21/21/67/1030212167.db2.gz SGNIGRCUXWQLMI-ZDUSSCGKSA-N 0 1 316.424 3.664 20 10 DHCDMN Cc1cccc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245951909 1030212816 /nfs/dbraw/zinc/21/28/16/1030212816.db2.gz XFHAZDSCKUFOEO-CZUORRHYSA-N 0 1 303.427 3.724 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000291038277 1030304495 /nfs/dbraw/zinc/30/44/95/1030304495.db2.gz YXZJLHVQCCMWLH-HOTGVXAUSA-N 0 1 307.821 3.579 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000291038277 1030304514 /nfs/dbraw/zinc/30/45/14/1030304514.db2.gz YXZJLHVQCCMWLH-HOTGVXAUSA-N 0 1 307.821 3.579 20 10 DHCDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])o1 ZINC000866479115 1030315432 /nfs/dbraw/zinc/31/54/32/1030315432.db2.gz PVJHSJKFKUXNSK-JTQLQIEISA-N 0 1 310.191 3.907 20 10 DHCDMN C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866482671 1030319740 /nfs/dbraw/zinc/31/97/40/1030319740.db2.gz ZYBFHXKJQSEHJZ-GUYCJALGSA-N 0 1 307.409 3.921 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000866499771 1030326557 /nfs/dbraw/zinc/32/65/57/1030326557.db2.gz NQWHKMKTYOBRIP-WQGWLQIFSA-N 0 1 324.140 3.756 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1ccnc(Cl)c1F ZINC000823851319 1030412609 /nfs/dbraw/zinc/41/26/09/1030412609.db2.gz JRSGURDDGMWYJL-UHFFFAOYSA-N 0 1 307.800 3.538 20 10 DHCDMN COc1cc(CN(C)Cc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000824522787 1030572631 /nfs/dbraw/zinc/57/26/31/1030572631.db2.gz SFYAWDYCVPQZSY-UHFFFAOYSA-N 0 1 303.402 3.923 20 10 DHCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636116 1030598038 /nfs/dbraw/zinc/59/80/38/1030598038.db2.gz LVXGCQAUGUCLAG-PKOBYXMFSA-N 0 1 311.425 3.652 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926813 1030673935 /nfs/dbraw/zinc/67/39/35/1030673935.db2.gz HKQBZJPCJVZJTC-MLGOLLRUSA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000824926813 1030673946 /nfs/dbraw/zinc/67/39/46/1030673946.db2.gz HKQBZJPCJVZJTC-MLGOLLRUSA-N 0 1 319.836 3.634 20 10 DHCDMN CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825079102 1030719346 /nfs/dbraw/zinc/71/93/46/1030719346.db2.gz LPWDAZACOQQQQS-CYBMUJFWSA-N 0 1 317.351 3.878 20 10 DHCDMN COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC000825279874 1030763802 /nfs/dbraw/zinc/76/38/02/1030763802.db2.gz ZEBKVEDEVMIORA-MRXNPFEDSA-N 0 1 305.805 3.831 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000825279866 1030765490 /nfs/dbraw/zinc/76/54/90/1030765490.db2.gz ZAJMCTXTESMTOL-SUMWQHHRSA-N 0 1 319.832 3.608 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1Cl ZINC000825327266 1030775935 /nfs/dbraw/zinc/77/59/35/1030775935.db2.gz XLDQLGOIMMUPCA-MRXNPFEDSA-N 0 1 321.852 3.965 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000825359051 1030786795 /nfs/dbraw/zinc/78/67/95/1030786795.db2.gz XIKWPCIYQVBKGB-CJNGLKHVSA-N 0 1 311.853 3.775 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1Cl ZINC000825394580 1030801524 /nfs/dbraw/zinc/80/15/24/1030801524.db2.gz CAUAZXDUAWLJLJ-ACJLOTCBSA-N 0 1 319.832 3.956 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1Cl ZINC000825412170 1030805515 /nfs/dbraw/zinc/80/55/15/1030805515.db2.gz DPVVOOYUUCOWAX-INIZCTEOSA-N 0 1 309.837 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1Cl ZINC000825412170 1030805538 /nfs/dbraw/zinc/80/55/38/1030805538.db2.gz DPVVOOYUUCOWAX-INIZCTEOSA-N 0 1 309.837 3.745 20 10 DHCDMN C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825451726 1030816239 /nfs/dbraw/zinc/81/62/39/1030816239.db2.gz ZHBIVJOXTXHKIO-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825451726 1030816253 /nfs/dbraw/zinc/81/62/53/1030816253.db2.gz ZHBIVJOXTXHKIO-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccnnc2)c(C)n1-c1ccccc1 ZINC000926765691 1030910474 /nfs/dbraw/zinc/91/04/74/1030910474.db2.gz ZOQDBGXBKWEYKB-HNNXBMFYSA-N 0 1 306.413 3.735 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000321935874 1030983759 /nfs/dbraw/zinc/98/37/59/1030983759.db2.gz WCKBWWYCINPOFG-KRWDZBQOSA-N 0 1 310.441 3.606 20 10 DHCDMN C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926965471 1031019509 /nfs/dbraw/zinc/01/95/09/1031019509.db2.gz WDCQFGHOYWAEST-ZANVPECISA-N 0 1 324.774 3.579 20 10 DHCDMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927112716 1031097606 /nfs/dbraw/zinc/09/76/06/1031097606.db2.gz QFFDDCGCJACPNU-SFHVURJKSA-N 0 1 312.461 3.604 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1[O-] ZINC001171154538 1031386409 /nfs/dbraw/zinc/38/64/09/1031386409.db2.gz AGNRLZUZAZAUMU-CYBMUJFWSA-N 0 1 307.821 3.870 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1[O-] ZINC001171154538 1031386420 /nfs/dbraw/zinc/38/64/20/1031386420.db2.gz AGNRLZUZAZAUMU-CYBMUJFWSA-N 0 1 307.821 3.870 20 10 DHCDMN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Br)ccc1[O-] ZINC000293848598 1031654479 /nfs/dbraw/zinc/65/44/79/1031654479.db2.gz XESQYAMGRUJWJM-MRVPVSSYSA-N 0 1 320.177 3.851 20 10 DHCDMN Cc1cc(C[N@H+](C)Cc2cccn2C)c(O)c(C(C)(C)C)c1 ZINC000760403113 1031705182 /nfs/dbraw/zinc/70/51/82/1031705182.db2.gz XPTLHRKBEGRNRM-UHFFFAOYSA-N 0 1 300.446 3.969 20 10 DHCDMN CCCOc1ccc(CN[C@@H](CO)c2ccsc2)cc1C ZINC000873106605 1031712702 /nfs/dbraw/zinc/71/27/02/1031712702.db2.gz BZWPPWJFQJAYHJ-INIZCTEOSA-N 0 1 305.443 3.669 20 10 DHCDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(F)cc1O ZINC000757614659 1031724755 /nfs/dbraw/zinc/72/47/55/1031724755.db2.gz RPHCTUMWCJJFEY-NSHDSACASA-N 0 1 306.356 3.905 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2c(F)ccc(C)c2F)c1 ZINC000930216391 1031738242 /nfs/dbraw/zinc/73/82/42/1031738242.db2.gz GWTDPFDILVQJMX-NSHDSACASA-N 0 1 307.340 3.838 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1[O-] ZINC000846043376 1031838776 /nfs/dbraw/zinc/83/87/76/1031838776.db2.gz YRRJCKWQOFSTSZ-INIZCTEOSA-N 0 1 309.837 3.649 20 10 DHCDMN CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000846118826 1031866817 /nfs/dbraw/zinc/86/68/17/1031866817.db2.gz ZODMWMAWAJFZJK-INIZCTEOSA-N 0 1 312.379 3.903 20 10 DHCDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142527512 1031910780 /nfs/dbraw/zinc/91/07/80/1031910780.db2.gz XKWMBDZIFALVLG-NSHDSACASA-N 0 1 307.340 3.872 20 10 DHCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001142527420 1031911213 /nfs/dbraw/zinc/91/12/13/1031911213.db2.gz UEADETLECBAQSF-UHFFFAOYSA-N 0 1 301.336 3.960 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@](C)(O)c1ccccc1 ZINC000846185538 1031919411 /nfs/dbraw/zinc/91/94/11/1031919411.db2.gz APTYROHJTRQKER-JCGVRSQUSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000877824981 1033475744 /nfs/dbraw/zinc/47/57/44/1033475744.db2.gz WAMJWXRBTODBDI-BXKDBHETSA-N 0 1 323.742 3.587 20 10 DHCDMN CCOc1ccc(O)c(CN[C@](C)(CC)c2nccs2)c1 ZINC000152603127 1033532740 /nfs/dbraw/zinc/53/27/40/1033532740.db2.gz BRNXKKVQLKCMET-MRXNPFEDSA-N 0 1 306.431 3.662 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1Cl ZINC000826016410 1033584115 /nfs/dbraw/zinc/58/41/15/1033584115.db2.gz IOUJZYNWOAHNIH-KRWDZBQOSA-N 0 1 311.853 3.585 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1Cl ZINC000826016410 1033584117 /nfs/dbraw/zinc/58/41/17/1033584117.db2.gz IOUJZYNWOAHNIH-KRWDZBQOSA-N 0 1 311.853 3.585 20 10 DHCDMN CCC[C@@H](OCC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000861728900 1033711248 /nfs/dbraw/zinc/71/12/48/1033711248.db2.gz PJBCNIZDUFXTJK-GFCCVEGCSA-N 0 1 320.216 3.520 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000826049738 1033751579 /nfs/dbraw/zinc/75/15/79/1033751579.db2.gz YJJYOJTZWURZMP-UAGQMJEPSA-N 0 1 323.864 3.870 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000826049738 1033751594 /nfs/dbraw/zinc/75/15/94/1033751594.db2.gz YJJYOJTZWURZMP-UAGQMJEPSA-N 0 1 323.864 3.870 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000862242788 1033793375 /nfs/dbraw/zinc/79/33/75/1033793375.db2.gz QXWKKEMQBPZZBW-LLVKDONJSA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000862242788 1033793389 /nfs/dbraw/zinc/79/33/89/1033793389.db2.gz QXWKKEMQBPZZBW-LLVKDONJSA-N 0 1 322.202 3.737 20 10 DHCDMN CSC[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862373994 1033833068 /nfs/dbraw/zinc/83/30/68/1033833068.db2.gz JMYSYBQHWYUFKE-LBPRGKRZSA-N 0 1 314.445 3.606 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482679 1033866570 /nfs/dbraw/zinc/86/65/70/1033866570.db2.gz KWAAUSQVHMNSDN-SFHVURJKSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482679 1033866591 /nfs/dbraw/zinc/86/65/91/1033866591.db2.gz KWAAUSQVHMNSDN-SFHVURJKSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541641 1033881687 /nfs/dbraw/zinc/88/16/87/1033881687.db2.gz YVXVBSUJXBMAMU-CYBMUJFWSA-N 0 1 303.789 3.741 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541641 1033881694 /nfs/dbraw/zinc/88/16/94/1033881694.db2.gz YVXVBSUJXBMAMU-CYBMUJFWSA-N 0 1 303.789 3.741 20 10 DHCDMN CCOC(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864019801 1034257353 /nfs/dbraw/zinc/25/73/53/1034257353.db2.gz QKHHMTLFGNQVMS-UHFFFAOYSA-N 0 1 322.311 3.851 20 10 DHCDMN Oc1c(CNc2cccc(OC(F)F)c2)ccc(F)c1F ZINC000864019349 1034257597 /nfs/dbraw/zinc/25/75/97/1034257597.db2.gz BZFANDGREYEWBG-UHFFFAOYSA-N 0 1 301.239 3.884 20 10 DHCDMN O=C(Nc1cccc(NCc2ccc(F)c(F)c2O)c1)C1CC1 ZINC000864019342 1034258657 /nfs/dbraw/zinc/25/86/57/1034258657.db2.gz BKSRDSHKEKVZNC-UHFFFAOYSA-N 0 1 318.323 3.631 20 10 DHCDMN Cc1cc(-c2nnco2)ccc1NCc1ccc(F)c(F)c1O ZINC000864024655 1034263200 /nfs/dbraw/zinc/26/32/00/1034263200.db2.gz DTVMYTBVZKTTCM-UHFFFAOYSA-N 0 1 317.295 3.641 20 10 DHCDMN CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1nc(C)cs1 ZINC000184392830 1034470136 /nfs/dbraw/zinc/47/01/36/1034470136.db2.gz XBPLDCURFYWQRV-CQSZACIVSA-N 0 1 322.405 3.740 20 10 DHCDMN CC[C@@H](NCc1nccn1CC(C)C)c1ccc(C)cc1O ZINC000794801895 1034472416 /nfs/dbraw/zinc/47/24/16/1034472416.db2.gz LMRQCWHTWHIANJ-MRXNPFEDSA-N 0 1 301.434 3.794 20 10 DHCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])c1cccnc1 ZINC000184883256 1034507853 /nfs/dbraw/zinc/50/78/53/1034507853.db2.gz VNNVIFCCXCKJTN-GHMZBOCLSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Br)cc1[O-] ZINC000184883238 1034507930 /nfs/dbraw/zinc/50/79/30/1034507930.db2.gz VNNVIFCCXCKJTN-WDEREUQCSA-N 0 1 321.218 3.962 20 10 DHCDMN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185528772 1034554982 /nfs/dbraw/zinc/55/49/82/1034554982.db2.gz HFSOWCLSQDHZDN-MEBBXXQBSA-N 0 1 311.834 3.665 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2cc(F)ccc2O)o1 ZINC000185548807 1034557560 /nfs/dbraw/zinc/55/75/60/1034557560.db2.gz WMCKMBWKRMROBE-XHDPSFHLSA-N 0 1 307.365 3.725 20 10 DHCDMN C[C@@H]1C[C@H]1c1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000865296562 1034591055 /nfs/dbraw/zinc/59/10/55/1034591055.db2.gz ZXFAUNNMSUGVGD-HZGVNTEJSA-N 0 1 314.172 3.818 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NC2(c3ccccc3F)CC2)c1 ZINC000186322525 1034618421 /nfs/dbraw/zinc/61/84/21/1034618421.db2.gz XXXFQEUHKZESLE-GFCCVEGCSA-N 0 1 301.361 3.880 20 10 DHCDMN CCCCN1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187676573 1034723621 /nfs/dbraw/zinc/72/36/21/1034723621.db2.gz KYLTZKJSLZSMRD-GFCCVEGCSA-N 0 1 312.404 3.586 20 10 DHCDMN COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)c(OC)c1 ZINC000187832936 1034734853 /nfs/dbraw/zinc/73/48/53/1034734853.db2.gz CXDROINQSCXXPG-VIFPVBQESA-N 0 1 309.312 3.861 20 10 DHCDMN C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(F)c(F)c1O ZINC000187901796 1034739101 /nfs/dbraw/zinc/73/91/01/1034739101.db2.gz XJDLLFFYHWMNCC-JTQLQIEISA-N 0 1 320.339 3.672 20 10 DHCDMN CN(C)c1ccc(/C=C\CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001178998299 1035460310 /nfs/dbraw/zinc/46/03/10/1035460310.db2.gz IVLVYJDZVVJSDE-GLCUZYPYSA-N 0 1 310.416 3.993 20 10 DHCDMN CCOc1ccc(CN[C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000905006649 1035475455 /nfs/dbraw/zinc/47/54/55/1035475455.db2.gz QEVZOVDMTZUCJN-LLVKDONJSA-N 0 1 307.340 3.920 20 10 DHCDMN O=C(Nc1cc(C2CCCC2)no1)c1cc(O)c(O)c(Cl)c1 ZINC001193589819 1035671987 /nfs/dbraw/zinc/67/19/87/1035671987.db2.gz QTXZKISUJNCLNV-UHFFFAOYSA-N 0 1 322.748 3.649 20 10 DHCDMN CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001181361304 1035899818 /nfs/dbraw/zinc/89/98/18/1035899818.db2.gz OKTUSLWWOKLLGX-QGZVFWFLSA-N 0 1 319.832 3.895 20 10 DHCDMN CCN(CC)c1ccc(CNCc2ncccc2C)cc1F ZINC000152207228 1036242187 /nfs/dbraw/zinc/24/21/87/1036242187.db2.gz YPGJZZVPBSWYDE-UHFFFAOYSA-N 0 1 301.409 3.665 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1C ZINC000775670555 1036345813 /nfs/dbraw/zinc/34/58/13/1036345813.db2.gz MBUMDFDLRUODHF-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN COC1CCC([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775700328 1036473080 /nfs/dbraw/zinc/47/30/80/1036473080.db2.gz NKZSZVXQLTZHNX-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1cc(Cl)cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000775698696 1036473661 /nfs/dbraw/zinc/47/36/61/1036473661.db2.gz QWCWZWKJMQPVJB-QGZVFWFLSA-N 0 1 319.832 3.910 20 10 DHCDMN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C(C)(C)CO1 ZINC000775702925 1036478457 /nfs/dbraw/zinc/47/84/57/1036478457.db2.gz GDRVKWWCXWQXHO-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C(C)(C)CO1 ZINC000775702925 1036478465 /nfs/dbraw/zinc/47/84/65/1036478465.db2.gz GDRVKWWCXWQXHO-UHFFFAOYSA-N 0 1 301.789 3.574 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1Cl ZINC001182942408 1036487443 /nfs/dbraw/zinc/48/74/43/1036487443.db2.gz UVVPTAPLHYLKEO-KRWDZBQOSA-N 0 1 311.853 3.775 20 10 DHCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001183410934 1036582491 /nfs/dbraw/zinc/58/24/91/1036582491.db2.gz XSCVFCCKFDIWME-GOSISDBHSA-N 0 1 303.352 3.992 20 10 DHCDMN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775736905 1036587299 /nfs/dbraw/zinc/58/72/99/1036587299.db2.gz FXNMKAKFTDLIDQ-UHFFFAOYSA-N 0 1 317.191 3.809 20 10 DHCDMN C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775740449 1036597894 /nfs/dbraw/zinc/59/78/94/1036597894.db2.gz LTVQDFYTVPCOLL-SJKOYZFVSA-N 0 1 317.816 3.870 20 10 DHCDMN CC(C)([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](O)c1ccccc1 ZINC001183498502 1036609045 /nfs/dbraw/zinc/60/90/45/1036609045.db2.gz GGGRWKNAYPMUII-INIZCTEOSA-N 0 1 305.805 3.647 20 10 DHCDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775838653 1036994790 /nfs/dbraw/zinc/99/47/90/1036994790.db2.gz ZRBJQIYTMSSTSC-GFCCVEGCSA-N 0 1 317.364 3.651 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C)CCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774869981 1037126870 /nfs/dbraw/zinc/12/68/70/1037126870.db2.gz PRPDJZQSGCNQFF-UHFFFAOYSA-N 0 1 322.405 3.711 20 10 DHCDMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911337 1037205325 /nfs/dbraw/zinc/20/53/25/1037205325.db2.gz YYSFZFKMVLZCNE-GXTWGEPZSA-N 0 1 322.405 3.710 20 10 DHCDMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911339 1037206047 /nfs/dbraw/zinc/20/60/47/1037206047.db2.gz YYSFZFKMVLZCNE-JSGCOSHPSA-N 0 1 322.405 3.710 20 10 DHCDMN CC[C@@]1(C)COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775982011 1037279565 /nfs/dbraw/zinc/27/95/65/1037279565.db2.gz XHMOYFRNSWPGPB-IBGZPJMESA-N 0 1 302.462 3.678 20 10 DHCDMN CC(C)[C@@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000776257373 1038116571 /nfs/dbraw/zinc/11/65/71/1038116571.db2.gz MHACXOMFVBJEJB-CYBMUJFWSA-N 0 1 313.825 3.502 20 10 DHCDMN C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000775365148 1038274942 /nfs/dbraw/zinc/27/49/42/1038274942.db2.gz UUMCYHTWWQZTNB-HNNXBMFYSA-N 0 1 320.440 3.994 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775488558 1038561315 /nfs/dbraw/zinc/56/13/15/1038561315.db2.gz IXUPVSHEZIDLJC-RYQLBKOJSA-N 0 1 317.816 3.745 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cccnc1OC)c1cc(Cl)ccc1[O-] ZINC000775491177 1038561664 /nfs/dbraw/zinc/56/16/64/1038561664.db2.gz BJSKARFYOGKKQI-CQSZACIVSA-N 0 1 306.793 3.690 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775489712 1038564720 /nfs/dbraw/zinc/56/47/20/1038564720.db2.gz QRGDYGBGNZXMDH-RDJZCZTQSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775522631 1038631980 /nfs/dbraw/zinc/63/19/80/1038631980.db2.gz WIXXXSZYAFOYIZ-BMIGLBTASA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)ccc1[O-] ZINC000775522631 1038631983 /nfs/dbraw/zinc/63/19/83/1038631983.db2.gz WIXXXSZYAFOYIZ-BMIGLBTASA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775536663 1038678009 /nfs/dbraw/zinc/67/80/09/1038678009.db2.gz MQPDUMZDZMIYCK-CMPLNLGQSA-N 0 1 311.731 3.664 20 10 DHCDMN CC[C@H]([NH2+]CCNc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775528010 1038646048 /nfs/dbraw/zinc/64/60/48/1038646048.db2.gz XIDRRWGPAPCNKW-HNNXBMFYSA-N 0 1 319.836 3.902 20 10 DHCDMN CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(Cl)ccc1[O-] ZINC000775531454 1038671013 /nfs/dbraw/zinc/67/10/13/1038671013.db2.gz DGYXJTBLDXYTER-KRWDZBQOSA-N 0 1 319.832 3.821 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cccs1 ZINC000227434634 1040257611 /nfs/dbraw/zinc/25/76/11/1040257611.db2.gz XMIKZOKKCPFLCW-UHFFFAOYSA-N 0 1 312.232 3.549 20 10 DHCDMN COc1ccc(OC(F)F)c(CN(C)Cc2ccccc2O)c1 ZINC000091956795 193132737 /nfs/dbraw/zinc/13/27/37/193132737.db2.gz SAWUMNZPGXEBCN-UHFFFAOYSA-N 0 1 323.339 3.634 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000273365948 130112172 /nfs/dbraw/zinc/11/21/72/130112172.db2.gz FCDGJBMAJHVBQI-QMTHXVAHSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000273491769 130127999 /nfs/dbraw/zinc/12/79/99/130127999.db2.gz OJGUBLZLUGGBBD-MEBBXXQBSA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H](NCc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000274663927 130253442 /nfs/dbraw/zinc/25/34/42/130253442.db2.gz WULMVLXQLKWQJK-QMMMGPOBSA-N 0 1 302.321 3.718 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cn1 ZINC000274909502 130273226 /nfs/dbraw/zinc/27/32/26/130273226.db2.gz MYCJBBIWKSUNHS-LLVKDONJSA-N 0 1 307.800 3.791 20 10 DHCDMN CCSc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccn1 ZINC000275064870 130289160 /nfs/dbraw/zinc/28/91/60/130289160.db2.gz RQGSPHLDXGMTLI-UHFFFAOYSA-N 0 1 308.834 3.842 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000290354899 131480089 /nfs/dbraw/zinc/48/00/89/131480089.db2.gz QKBZXDOSYZHSCV-PRXAMGSTSA-N 0 1 305.805 3.818 20 10 DHCDMN CCc1nc(C)c(CN[C@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000291912125 131609000 /nfs/dbraw/zinc/60/90/00/131609000.db2.gz MYUGXKHSPFZCGQ-CYBMUJFWSA-N 0 1 301.434 3.852 20 10 DHCDMN CCOc1cccc(CN2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294031539 335117134 /nfs/dbraw/zinc/11/71/34/335117134.db2.gz VQURTXYLTXLISG-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN COc1cc(N[C@H](C)c2ccc(F)c(F)c2O)cc(OC)c1 ZINC000187880415 333238998 /nfs/dbraw/zinc/23/89/98/333238998.db2.gz ASNJUEGSZGLHQG-SECBINFHSA-N 0 1 309.312 3.861 20 10 DHCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294652427 334211733 /nfs/dbraw/zinc/21/17/33/334211733.db2.gz KWFBYJXYQWZQRT-HNNXBMFYSA-N 0 1 301.789 3.576 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000355124567 336495715 /nfs/dbraw/zinc/49/57/15/336495715.db2.gz OLGRUEUVYYRZPG-UHFFFAOYSA-N 0 1 320.396 3.760 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H]2c3cccc(F)c3O[C@H]2C)c1 ZINC000360888938 336725907 /nfs/dbraw/zinc/72/59/07/336725907.db2.gz QLIRIYLJGODZKY-APPDUMDISA-N 0 1 317.360 3.542 20 10 DHCDMN Cc1noc(C2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)n1 ZINC000375236805 337006192 /nfs/dbraw/zinc/00/61/92/337006192.db2.gz JJNAPNPJQBCEKI-JKDOVBDQSA-N 0 1 319.380 3.600 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CCC[C@@H]2c2nccs2)c1 ZINC000377641556 337057114 /nfs/dbraw/zinc/05/71/14/337057114.db2.gz AVBUBJAKGIZWHX-BXUZGUMPSA-N 0 1 304.415 3.755 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000377694275 337058672 /nfs/dbraw/zinc/05/86/72/337058672.db2.gz IFDVXLDHLNSBMU-GFIVTLFCSA-N 0 1 319.445 3.502 20 10 DHCDMN C[C@H](NCc1cc(F)ccc1O)c1nccn1-c1ccccc1 ZINC000377869625 337063096 /nfs/dbraw/zinc/06/30/96/337063096.db2.gz PYPQBBGZXFFSEP-ZDUSSCGKSA-N 0 1 311.360 3.568 20 10 DHCDMN Cc1cc(O)c(CN[C@@H](c2cnn(C)c2)c2ccccc2)cc1C ZINC000378650576 337077693 /nfs/dbraw/zinc/07/76/93/337077693.db2.gz PRAJBEZLGOLSSG-HXUWFJFHSA-N 0 1 321.424 3.622 20 10 DHCDMN CC[C@H](N[C@@H](c1n[nH]c(C)n1)c1ccccc1)c1ccccc1O ZINC000185210254 337203474 /nfs/dbraw/zinc/20/34/74/337203474.db2.gz DGHHCYUEFXBOBO-FUHWJXTLSA-N 0 1 322.412 3.649 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000305772237 337387306 /nfs/dbraw/zinc/38/73/06/337387306.db2.gz HUFMLIDMOUYLKC-ZFWWWQNUSA-N 0 1 321.804 3.727 20 10 DHCDMN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000248486369 337565640 /nfs/dbraw/zinc/56/56/40/337565640.db2.gz FPOQNONDJVNYHX-SVIJTADQSA-N 0 1 319.404 3.854 20 10 DHCDMN COc1ccc(O)c(CN[C@@H](c2ccco2)c2ccccc2)c1 ZINC000237362823 340670482 /nfs/dbraw/zinc/67/04/82/340670482.db2.gz XVWIJRHHHHDYMC-LJQANCHMSA-N 0 1 309.365 3.873 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000185548117 517849343 /nfs/dbraw/zinc/84/93/43/517849343.db2.gz LCDQWQPRTYHNLP-BLLLJJGKSA-N 0 1 319.401 3.595 20 10 DHCDMN CC[C@H](N[C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317428 522716194 /nfs/dbraw/zinc/71/61/94/522716194.db2.gz KNMVURVDZIIFLV-LSDHHAIUSA-N 0 1 314.433 3.683 20 10 DHCDMN COc1ccc(O)c(CN2CCC[C@@H]2c2csc(C)n2)c1 ZINC000189926462 524740858 /nfs/dbraw/zinc/74/08/58/524740858.db2.gz ICIAOUXVGGTKOQ-OAHLLOKOSA-N 0 1 304.415 3.503 20 10 DHCDMN C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000129901932 524855238 /nfs/dbraw/zinc/85/52/38/524855238.db2.gz GBCBRKOHUUHCCL-SJCJKPOMSA-N 0 1 305.805 3.647 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091669 525742487 /nfs/dbraw/zinc/74/24/87/525742487.db2.gz PSIOSHHKCDUGGU-JKSUJKDBSA-N 0 1 314.429 3.836 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000179888089 526327391 /nfs/dbraw/zinc/32/73/91/526327391.db2.gz CKVBLMQNUIAWFS-CYBMUJFWSA-N 0 1 309.818 3.681 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000179888089 526327393 /nfs/dbraw/zinc/32/73/93/526327393.db2.gz CKVBLMQNUIAWFS-CYBMUJFWSA-N 0 1 309.818 3.681 20 10 DHCDMN O=C(c1ccccc1)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179900028 526789246 /nfs/dbraw/zinc/78/92/46/526789246.db2.gz SBJZHIKWMHZQEM-UHFFFAOYSA-N 0 1 313.372 3.626 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1[O-] ZINC000127458726 527333413 /nfs/dbraw/zinc/33/34/13/527333413.db2.gz IYTVWUDXQUULCX-ZDUSSCGKSA-N 0 1 321.764 3.619 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1[O-] ZINC000127458726 527333415 /nfs/dbraw/zinc/33/34/15/527333415.db2.gz IYTVWUDXQUULCX-ZDUSSCGKSA-N 0 1 321.764 3.619 20 10 DHCDMN Cc1cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000738383915 599935814 /nfs/dbraw/zinc/93/58/14/599935814.db2.gz YWSFZMXEDXJGKB-CYBMUJFWSA-N 0 1 319.445 3.683 20 10 DHCDMN CCCC[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[NH2+]1 ZINC001236141724 1021668311 /nfs/dbraw/zinc/66/83/11/1021668311.db2.gz KWQJGHFJULCNEY-NSHDSACASA-N 0 1 317.260 3.663 20 10 DHCDMN CN(CCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000083551375 1013985782 /nfs/dbraw/zinc/98/57/82/1013985782.db2.gz LASFINYJADTTND-UHFFFAOYSA-N 0 1 304.821 3.662 20 10 DHCDMN CC(F)(F)C(C)(C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000696595336 1014454986 /nfs/dbraw/zinc/45/49/86/1014454986.db2.gz PEKLUZQICLDLNA-UHFFFAOYSA-N 0 1 322.193 3.926 20 10 DHCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1cccc(O)c1 ZINC000706835665 1014628425 /nfs/dbraw/zinc/62/84/25/1014628425.db2.gz JNAAMHTYXQMUOD-SNVBAGLBSA-N 0 1 322.202 3.711 20 10 DHCDMN C[C@@H](NCc1c(O)cccc1Br)c1cccc(O)c1 ZINC000706835665 1014628430 /nfs/dbraw/zinc/62/84/30/1014628430.db2.gz JNAAMHTYXQMUOD-SNVBAGLBSA-N 0 1 322.202 3.711 20 10 DHCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1O ZINC001595363234 980779668 /nfs/dbraw/zinc/77/96/68/980779668.db2.gz YXCGHPNILOIBHL-KRWDZBQOSA-N 0 1 313.397 3.739 20 10 DHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595405919 980988384 /nfs/dbraw/zinc/98/83/84/980988384.db2.gz VHYZEXWTXZDWPV-ABAIWWIYSA-N 0 1 318.392 3.636 20 10 DHCDMN CCC[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])OC ZINC000834841119 1014792975 /nfs/dbraw/zinc/79/29/75/1014792975.db2.gz PMACXCQOHLYGHD-ZYHUDNBSSA-N 0 1 316.239 3.620 20 10 DHCDMN CCC[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])OC ZINC000834841118 1014793645 /nfs/dbraw/zinc/79/36/45/1014793645.db2.gz PMACXCQOHLYGHD-PWSUYJOCSA-N 0 1 316.239 3.620 20 10 DHCDMN C[N@@H+](Cc1ccns1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000895453265 1015155624 /nfs/dbraw/zinc/15/56/24/1015155624.db2.gz HRUGQUIWFKIELS-UHFFFAOYSA-N 0 1 303.214 3.788 20 10 DHCDMN Oc1c(C[N@H+]2CC[C@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581808 1015217353 /nfs/dbraw/zinc/21/73/53/1015217353.db2.gz OLRHJPPRDMGZES-HNNXBMFYSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581808 1015217360 /nfs/dbraw/zinc/21/73/60/1015217360.db2.gz OLRHJPPRDMGZES-HNNXBMFYSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581808 1015217369 /nfs/dbraw/zinc/21/73/69/1015217369.db2.gz OLRHJPPRDMGZES-HNNXBMFYSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000896198678 1015497434 /nfs/dbraw/zinc/49/74/34/1015497434.db2.gz ROVNUQICQBSGKD-UHFFFAOYSA-N 0 1 317.820 3.517 20 10 DHCDMN C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140464355 1015503136 /nfs/dbraw/zinc/50/31/36/1015503136.db2.gz MMALTBNVCVIXJM-GORDUTHDSA-N 0 1 302.805 3.976 20 10 DHCDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140464355 1015503145 /nfs/dbraw/zinc/50/31/45/1015503145.db2.gz MMALTBNVCVIXJM-GORDUTHDSA-N 0 1 302.805 3.976 20 10 DHCDMN COc1ccccc1CC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140466680 1015572008 /nfs/dbraw/zinc/57/20/08/1015572008.db2.gz KVSPWWDHZYIAFE-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN COc1ccccc1CC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140466680 1015572017 /nfs/dbraw/zinc/57/20/17/1015572017.db2.gz KVSPWWDHZYIAFE-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000896422911 1015582490 /nfs/dbraw/zinc/58/24/90/1015582490.db2.gz NBBWOCCSJXTMCR-DZGCQCFKSA-N 0 1 307.752 3.607 20 10 DHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001591086713 991603693 /nfs/dbraw/zinc/60/36/93/991603693.db2.gz CFYRDYUCSHQOGZ-HNNXBMFYSA-N 0 1 318.392 3.636 20 10 DHCDMN CCn1ccnc1[C@H]1CCCCN1Cc1cccc(Cl)c1O ZINC000281074267 1015828020 /nfs/dbraw/zinc/82/80/20/1015828020.db2.gz IPXDKDANDVCKLO-OAHLLOKOSA-N 0 1 319.836 3.989 20 10 DHCDMN CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000281074267 1015828028 /nfs/dbraw/zinc/82/80/28/1015828028.db2.gz IPXDKDANDVCKLO-OAHLLOKOSA-N 0 1 319.836 3.989 20 10 DHCDMN CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000281074267 1015828037 /nfs/dbraw/zinc/82/80/37/1015828037.db2.gz IPXDKDANDVCKLO-OAHLLOKOSA-N 0 1 319.836 3.989 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185370309 1016883688 /nfs/dbraw/zinc/88/36/88/1016883688.db2.gz VZOSCJCTCZNXGF-YJBOKZPZSA-N 0 1 321.420 3.800 20 10 DHCDMN CC(C)c1nc(CN(C)c2ccc(-c3nccs3)cc2)n[nH]1 ZINC000846996279 1032170838 /nfs/dbraw/zinc/17/08/38/1032170838.db2.gz QMICMJMGURAJDX-UHFFFAOYSA-N 0 1 313.430 3.688 20 10 DHCDMN COc1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1C ZINC000294945946 1032221421 /nfs/dbraw/zinc/22/14/21/1032221421.db2.gz CQAMYYOUBFZTAP-UHFFFAOYSA-N 0 1 310.319 3.707 20 10 DHCDMN CCN(Cc1ccccc1O)Cc1cc(F)cc(F)c1OC ZINC001143563015 1012840823 /nfs/dbraw/zinc/84/08/23/1012840823.db2.gz ILCKYUWSSRGPJI-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000192854312 1017123799 /nfs/dbraw/zinc/12/37/99/1017123799.db2.gz WQLZIKDSAHWXMR-CHWSQXEVSA-N 0 1 309.413 3.999 20 10 DHCDMN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000320584988 1017187749 /nfs/dbraw/zinc/18/77/49/1017187749.db2.gz UETVWIXZCASIIZ-LIRRHRJNSA-N 0 1 307.393 3.930 20 10 DHCDMN CC(C)OCCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000184863574 1017424209 /nfs/dbraw/zinc/42/42/09/1017424209.db2.gz BSKZPSSTSOUYDC-NSHDSACASA-N 0 1 316.239 3.620 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921528 1017484161 /nfs/dbraw/zinc/48/41/61/1017484161.db2.gz VEVKZOLFICSJRA-KGLIPLIRSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840921528 1017484167 /nfs/dbraw/zinc/48/41/67/1017484167.db2.gz VEVKZOLFICSJRA-KGLIPLIRSA-N 0 1 309.837 3.603 20 10 DHCDMN C[C@@H](NCc1ccn(C2CCCC2)n1)c1cc(F)ccc1O ZINC000186138543 1017910873 /nfs/dbraw/zinc/91/08/73/1017910873.db2.gz YPXYDWOSMMAITL-GFCCVEGCSA-N 0 1 303.381 3.694 20 10 DHCDMN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000765099784 1018475814 /nfs/dbraw/zinc/47/58/14/1018475814.db2.gz KEWGZLSTKRQTLS-OLZOCXBDSA-N 0 1 311.381 3.901 20 10 DHCDMN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000765099784 1018475819 /nfs/dbraw/zinc/47/58/19/1018475819.db2.gz KEWGZLSTKRQTLS-OLZOCXBDSA-N 0 1 311.381 3.901 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCCc2occc21 ZINC000706828468 1018763052 /nfs/dbraw/zinc/76/30/52/1018763052.db2.gz FCKVIBZDEMQOAM-CYBMUJFWSA-N 0 1 322.202 3.915 20 10 DHCDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137839826 1018766855 /nfs/dbraw/zinc/76/68/55/1018766855.db2.gz LNUBAGRXLKSAJV-CYBMUJFWSA-N 0 1 303.377 3.603 20 10 DHCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715718488 1018950879 /nfs/dbraw/zinc/95/08/79/1018950879.db2.gz NXVCEBFCGJMOIC-ZDUSSCGKSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOc2ccccc21 ZINC000923027063 1018991443 /nfs/dbraw/zinc/99/14/43/1018991443.db2.gz XDZNKQGOZQBTKN-QGZVFWFLSA-N 0 1 303.789 3.833 20 10 DHCDMN CCn1cncc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858292749 1032831884 /nfs/dbraw/zinc/83/18/84/1032831884.db2.gz DWJDOZMWSZSKRX-UHFFFAOYSA-N 0 1 322.456 3.909 20 10 DHCDMN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000186515266 1019768956 /nfs/dbraw/zinc/76/89/56/1019768956.db2.gz JIVPECIXNQQHQS-SUMWQHHRSA-N 0 1 311.381 3.913 20 10 DHCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000294309359 1019958707 /nfs/dbraw/zinc/95/87/07/1019958707.db2.gz VTNIHJSKMCWXHB-CQSZACIVSA-N 0 1 304.217 3.557 20 10 DHCDMN CN(C)c1ccc(CN(Cc2ccc(Cl)nc2)C2CC2)cc1 ZINC000731752012 1020146538 /nfs/dbraw/zinc/14/65/38/1020146538.db2.gz KVLRXLDWUHZQOH-UHFFFAOYSA-N 0 1 315.848 3.966 20 10 DHCDMN CN(CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1ccccc1O ZINC000732202712 1020211261 /nfs/dbraw/zinc/21/12/61/1020211261.db2.gz DQACZMMWBCARRD-UHFFFAOYSA-N 0 1 313.441 3.610 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCS1 ZINC000922842500 1020299645 /nfs/dbraw/zinc/29/96/45/1020299645.db2.gz MLKNNBXHAQTEPW-JOYOIKCWSA-N 0 1 316.264 3.528 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ccc(Cl)cc1 ZINC000733323301 1020370320 /nfs/dbraw/zinc/37/03/20/1020370320.db2.gz SXCBJQLCVLKUPS-UHFFFAOYSA-N 0 1 312.196 3.868 20 10 DHCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)c1ccccc1 ZINC000733324538 1020372277 /nfs/dbraw/zinc/37/22/77/1020372277.db2.gz JDMAYBKRMPPKPU-ZDUSSCGKSA-N 0 1 304.821 3.660 20 10 DHCDMN Cc1cccc(C)c1OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733325054 1020372479 /nfs/dbraw/zinc/37/24/79/1020372479.db2.gz UKPDFADIQCVGKW-UHFFFAOYSA-N 0 1 305.805 3.831 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000733331787 1020376077 /nfs/dbraw/zinc/37/60/77/1020376077.db2.gz IAUZSPYGQHNSHM-UHFFFAOYSA-N 0 1 322.861 3.713 20 10 DHCDMN CC(C)C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000179576573 1020410587 /nfs/dbraw/zinc/41/05/87/1020410587.db2.gz MEWIAGXROOVSDE-IBGZPJMESA-N 0 1 317.404 3.723 20 10 DHCDMN CC(C)C[C@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000733790216 1020446300 /nfs/dbraw/zinc/44/63/00/1020446300.db2.gz HMQBKGKWVSHHAX-INIZCTEOSA-N 0 1 321.461 3.642 20 10 DHCDMN COc1cc(Br)cc(C[N@H+](C)C2CCCC2)c1[O-] ZINC000179796853 1020449761 /nfs/dbraw/zinc/44/97/61/1020449761.db2.gz OKZZWJBNNSWARS-UHFFFAOYSA-N 0 1 314.223 3.538 20 10 DHCDMN COc1cc(Br)cc(C[N@@H+](C)C2CCCC2)c1[O-] ZINC000179796853 1020449767 /nfs/dbraw/zinc/44/97/67/1020449767.db2.gz OKZZWJBNNSWARS-UHFFFAOYSA-N 0 1 314.223 3.538 20 10 DHCDMN Cc1c(O)ccc(CN2CCc3ccc(Cl)cc3C2)c1O ZINC001140741986 1020573904 /nfs/dbraw/zinc/57/39/04/1020573904.db2.gz GHDDMOFINLOJLW-UHFFFAOYSA-N 0 1 303.789 3.618 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1[O-] ZINC001116648556 1020602005 /nfs/dbraw/zinc/60/20/05/1020602005.db2.gz YIHLKMCIMQUOBD-BONVTDFDSA-N 0 1 307.825 3.889 20 10 DHCDMN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000858485436 1032913534 /nfs/dbraw/zinc/91/35/34/1032913534.db2.gz MXVVMZSLARJNFS-HOCLYGCPSA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@@H](N[C@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411272 1020695270 /nfs/dbraw/zinc/69/52/70/1020695270.db2.gz NMAVBTNOBQKMCG-RNCFNFMXSA-N 0 1 307.752 3.969 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861864 1020956393 /nfs/dbraw/zinc/95/63/93/1020956393.db2.gz SCXPEBSMSXWPHS-MSOLQXFVSA-N 0 1 314.429 3.576 20 10 DHCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861864 1020956396 /nfs/dbraw/zinc/95/63/96/1020956396.db2.gz SCXPEBSMSXWPHS-MSOLQXFVSA-N 0 1 314.429 3.576 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc([S@@](C)=O)cc1 ZINC000756033467 1021189581 /nfs/dbraw/zinc/18/95/81/1021189581.db2.gz MNGKSKQFIJDVBE-WSVYEEACSA-N 0 1 323.845 3.634 20 10 DHCDMN Cc1cc(O)c(CN2C[C@@H](C)OC[C@H]2c2ccccc2)cc1C ZINC000743408855 1021289493 /nfs/dbraw/zinc/28/94/93/1021289493.db2.gz OZLQBUBXEKDNAR-APWZRJJASA-N 0 1 311.425 3.971 20 10 DHCDMN O=C(Nc1cccc(N2CCCC2)c1)c1cc(Cl)ccc1O ZINC000917698074 1021347726 /nfs/dbraw/zinc/34/77/26/1021347726.db2.gz ZAGVUISEKADDTF-UHFFFAOYSA-N 0 1 316.788 3.898 20 10 DHCDMN CN(C)c1ccc(CNCc2cccc(F)c2OC(F)F)cc1 ZINC000850011962 1021395038 /nfs/dbraw/zinc/39/50/38/1021395038.db2.gz YQGHHSQTRYWFFQ-UHFFFAOYSA-N 0 1 324.346 3.783 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(Cl)cc1[O-] ZINC000850525129 1021577565 /nfs/dbraw/zinc/57/75/65/1021577565.db2.gz GVKLUSMOWZXULJ-FGDXXIHYSA-N 0 1 303.789 3.875 20 10 DHCDMN C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(Cl)ccc1[O-] ZINC000850531098 1021585084 /nfs/dbraw/zinc/58/50/84/1021585084.db2.gz AKTVYSYKGZTUBH-FZQKWOKYSA-N 0 1 317.763 3.511 20 10 DHCDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Br)ccc1[O-] ZINC000850535912 1021589281 /nfs/dbraw/zinc/58/92/81/1021589281.db2.gz DRLQXSUVLOJHBY-PRHODGIISA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H]([NH2+]CCC1SCCS1)c1ccc(Cl)cc1[O-] ZINC000850569050 1021611032 /nfs/dbraw/zinc/61/10/32/1021611032.db2.gz RQDHMHNXNLFCFA-VIFPVBQESA-N 0 1 303.880 3.892 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000850573096 1021616040 /nfs/dbraw/zinc/61/60/40/1021616040.db2.gz JFJUWLOJOCZFQG-ZJNRKIDTSA-N 0 1 319.832 3.861 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1c(C)noc1C ZINC000182459694 1021663658 /nfs/dbraw/zinc/66/36/58/1021663658.db2.gz SLEBESGPOWFQPR-OAHLLOKOSA-N 0 1 320.364 3.580 20 10 DHCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237123492 1021703694 /nfs/dbraw/zinc/70/36/94/1021703694.db2.gz IXJUEMASQCRDRH-DTORHVGOSA-N 0 1 305.727 3.662 20 10 DHCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237123492 1021703720 /nfs/dbraw/zinc/70/37/20/1021703720.db2.gz IXJUEMASQCRDRH-DTORHVGOSA-N 0 1 305.727 3.662 20 10 DHCDMN Oc1ccccc1CN(Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000070976069 1021995242 /nfs/dbraw/zinc/99/52/42/1021995242.db2.gz OPBLRBKIZABCHM-KRWDZBQOSA-N 0 1 315.388 3.713 20 10 DHCDMN Cc1ccc2[nH]c(CN[C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000766377888 1022086842 /nfs/dbraw/zinc/08/68/42/1022086842.db2.gz NCDCCZHPIHJVNN-CQSZACIVSA-N 0 1 308.429 3.788 20 10 DHCDMN Cc1ccc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000766377888 1022086862 /nfs/dbraw/zinc/08/68/62/1022086862.db2.gz NCDCCZHPIHJVNN-CQSZACIVSA-N 0 1 308.429 3.788 20 10 DHCDMN O=C(NCC1=CCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000852634251 1022150577 /nfs/dbraw/zinc/15/05/77/1022150577.db2.gz ZVDUDWDFIPNQBB-UHFFFAOYSA-N 0 1 315.200 3.609 20 10 DHCDMN CN(Cc1ccccc1O)Cc1ccc(-c2ncco2)cc1F ZINC001167733762 1022198125 /nfs/dbraw/zinc/19/81/25/1022198125.db2.gz COIXROGTBQQYIA-UHFFFAOYSA-N 0 1 312.344 3.818 20 10 DHCDMN CC[C@@]1(C)CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC001169340915 1022360744 /nfs/dbraw/zinc/36/07/44/1022360744.db2.gz BYPZEHLJPUVNBU-FQEVSTJZSA-N 0 1 316.489 3.986 20 10 DHCDMN C[C@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCS1 ZINC000691440207 1022692769 /nfs/dbraw/zinc/69/27/69/1022692769.db2.gz OCUJOKMTMQEAGX-CYBMUJFWSA-N 0 1 316.264 3.530 20 10 DHCDMN C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2ccccc2c1[O-] ZINC000367439526 1022717424 /nfs/dbraw/zinc/71/74/24/1022717424.db2.gz VGFLSQZFZBERCD-AWEZNQCLSA-N 0 1 321.424 3.929 20 10 DHCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000768169804 1022911149 /nfs/dbraw/zinc/91/11/49/1022911149.db2.gz XDXUGOWHDGLXOB-GFCCVEGCSA-N 0 1 303.324 3.565 20 10 DHCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1F ZINC000768200360 1022912768 /nfs/dbraw/zinc/91/27/68/1022912768.db2.gz NAAGSUGHJQLPRI-UHFFFAOYSA-N 0 1 320.383 3.671 20 10 DHCDMN CC(C)CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCC1 ZINC000768439992 1022965897 /nfs/dbraw/zinc/96/58/97/1022965897.db2.gz MTTGNMVOEORXQV-SFHVURJKSA-N 0 1 319.445 3.609 20 10 DHCDMN CC(C)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768439992 1022965909 /nfs/dbraw/zinc/96/59/09/1022965909.db2.gz MTTGNMVOEORXQV-SFHVURJKSA-N 0 1 319.445 3.609 20 10 DHCDMN CC(C)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768439992 1022965920 /nfs/dbraw/zinc/96/59/20/1022965920.db2.gz MTTGNMVOEORXQV-SFHVURJKSA-N 0 1 319.445 3.609 20 10 DHCDMN CC(C)CC[NH+](CCC(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442433 1022967419 /nfs/dbraw/zinc/96/74/19/1022967419.db2.gz WBEIDTYWDWIWAM-GOSISDBHSA-N 0 1 321.461 3.712 20 10 DHCDMN CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000769103829 1023092193 /nfs/dbraw/zinc/09/21/93/1023092193.db2.gz CNOCGQKZJUFWPL-APWZRJJASA-N 0 1 302.462 3.676 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769390308 1023138947 /nfs/dbraw/zinc/13/89/47/1023138947.db2.gz UOGNKVQMGAQEMW-LBPRGKRZSA-N 0 1 305.805 3.814 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000769390308 1023138952 /nfs/dbraw/zinc/13/89/52/1023138952.db2.gz UOGNKVQMGAQEMW-LBPRGKRZSA-N 0 1 305.805 3.814 20 10 DHCDMN CCC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451817 1023156078 /nfs/dbraw/zinc/15/60/78/1023156078.db2.gz OILFOFOIQKULRQ-LJQANCHMSA-N 0 1 302.462 3.678 20 10 DHCDMN CCC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451817 1023156085 /nfs/dbraw/zinc/15/60/85/1023156085.db2.gz OILFOFOIQKULRQ-LJQANCHMSA-N 0 1 302.462 3.678 20 10 DHCDMN CCOc1ccc(CN2CC[C@H]2c2cccc(F)c2)c(O)c1 ZINC000769506225 1023168596 /nfs/dbraw/zinc/16/85/96/1023168596.db2.gz DULVUTFZXIGUTJ-KRWDZBQOSA-N 0 1 301.361 3.877 20 10 DHCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000769874494 1023237548 /nfs/dbraw/zinc/23/75/48/1023237548.db2.gz OIKOYDBEXYAEGM-CYBMUJFWSA-N 0 1 313.445 3.779 20 10 DHCDMN COc1ccc(N2CCN(Cc3sccc3C)CC2)cc1F ZINC000770304918 1023294731 /nfs/dbraw/zinc/29/47/31/1023294731.db2.gz FCTQGSHXYZPYCT-UHFFFAOYSA-N 0 1 320.433 3.526 20 10 DHCDMN Oc1ccccc1CN1CCc2cccc(Br)c2C1 ZINC000770506118 1023316463 /nfs/dbraw/zinc/31/64/63/1023316463.db2.gz TVRXDGVIEUBHED-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825892231 1033125560 /nfs/dbraw/zinc/12/55/60/1033125560.db2.gz BJDKXFMRPMUHLK-UHFFFAOYSA-N 0 1 308.809 3.984 20 10 DHCDMN Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c(O)c1 ZINC000876778662 1033140439 /nfs/dbraw/zinc/14/04/39/1033140439.db2.gz LKAANDZDTMGVCG-DYVFJYSZSA-N 0 1 303.427 3.724 20 10 DHCDMN O=C(Nc1cccc(N2CCCCC2)c1)c1c(O)cccc1F ZINC000772362935 1023546884 /nfs/dbraw/zinc/54/68/84/1023546884.db2.gz GOHCBEMYOJWZNB-UHFFFAOYSA-N 0 1 314.360 3.774 20 10 DHCDMN COc1cccc(CNCc2cc(F)c(Cl)cc2F)c1O ZINC000788532175 1023906714 /nfs/dbraw/zinc/90/67/14/1023906714.db2.gz NGKZEGROXHGURQ-UHFFFAOYSA-N 0 1 313.731 3.622 20 10 DHCDMN Cc1cn[nH]c1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000788852076 1023945495 /nfs/dbraw/zinc/94/54/95/1023945495.db2.gz DJRUWELSZPWMSN-UHFFFAOYSA-N 0 1 311.307 3.570 20 10 DHCDMN [O-]c1c(F)cc(F)cc1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000882907052 1024166775 /nfs/dbraw/zinc/16/67/75/1024166775.db2.gz JMYPBNLDUGATPP-UHFFFAOYSA-N 0 1 318.367 3.878 20 10 DHCDMN Cc1c(NC(=O)c2c(F)ccc(O)c2O)sc2c1CCCC2 ZINC000789981482 1024197340 /nfs/dbraw/zinc/19/73/40/1024197340.db2.gz NMPMISZARAXLGN-UHFFFAOYSA-N 0 1 321.373 3.738 20 10 DHCDMN Cc1ccc(C[NH+](C)C)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883069214 1024229457 /nfs/dbraw/zinc/22/94/57/1024229457.db2.gz ZGJSWWYMKJQTGC-UHFFFAOYSA-N 0 1 306.356 3.653 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000131003269 1024245548 /nfs/dbraw/zinc/24/55/48/1024245548.db2.gz PRWGOIHYRDLQNF-KSFYIVLOSA-N 0 1 324.534 3.512 20 10 DHCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790416249 1024297951 /nfs/dbraw/zinc/29/79/51/1024297951.db2.gz OSCKWQUITHEBMF-MRXNPFEDSA-N 0 1 321.461 3.642 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCOC1 ZINC000883352680 1024396738 /nfs/dbraw/zinc/39/67/38/1024396738.db2.gz GHWGTHDTNHYOGM-MYZSUADSSA-N 0 1 307.409 3.874 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2[O-] ZINC000883381234 1024413253 /nfs/dbraw/zinc/41/32/53/1024413253.db2.gz JHYXXEFIORAZBB-BXUZGUMPSA-N 0 1 305.393 3.628 20 10 DHCDMN COc1cccc(CN[C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883382220 1024414979 /nfs/dbraw/zinc/41/49/79/1024414979.db2.gz BRHQARAKWBTGQW-DOTOQJQBSA-N 0 1 301.361 3.516 20 10 DHCDMN COCC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC000792156627 1024636777 /nfs/dbraw/zinc/63/67/77/1024636777.db2.gz HTZMLACAWKWACR-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000792162528 1024638727 /nfs/dbraw/zinc/63/87/27/1024638727.db2.gz KIKVUPLIDAZNCD-AWEZNQCLSA-N 0 1 306.768 3.917 20 10 DHCDMN COCC[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173965 1024643259 /nfs/dbraw/zinc/64/32/59/1024643259.db2.gz AITHJGGMEWAMON-GFCCVEGCSA-N 0 1 315.816 3.823 20 10 DHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792181270 1024643881 /nfs/dbraw/zinc/64/38/81/1024643881.db2.gz ZOLSUMXHJLAZRN-MRXNPFEDSA-N 0 1 315.816 3.558 20 10 DHCDMN CC[C@@H]([NH2+]CCCCF)c1cc(Br)ccc1[O-] ZINC000310213140 1024785631 /nfs/dbraw/zinc/78/56/31/1024785631.db2.gz DPTMZVQJBVYDPS-GFCCVEGCSA-N 0 1 304.203 3.945 20 10 DHCDMN Oc1c(Br)cccc1CN1Cc2ccccc2C1 ZINC000133779927 1024797555 /nfs/dbraw/zinc/79/75/55/1024797555.db2.gz BAVFWORLNQWVGJ-UHFFFAOYSA-N 0 1 304.187 3.671 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccncc2)c(C(F)(F)F)c1 ZINC000793076252 1024878747 /nfs/dbraw/zinc/87/87/47/1024878747.db2.gz MZPUPBLGFMSMGC-UHFFFAOYSA-N 0 1 323.362 3.798 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC000321431478 1024893710 /nfs/dbraw/zinc/89/37/10/1024893710.db2.gz LTJUELUORYQVEE-OAHLLOKOSA-N 0 1 313.372 3.723 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000321431478 1024893723 /nfs/dbraw/zinc/89/37/23/1024893723.db2.gz LTJUELUORYQVEE-OAHLLOKOSA-N 0 1 313.372 3.723 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000321431478 1024893732 /nfs/dbraw/zinc/89/37/32/1024893732.db2.gz LTJUELUORYQVEE-OAHLLOKOSA-N 0 1 313.372 3.723 20 10 DHCDMN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1 ZINC000793230080 1024942702 /nfs/dbraw/zinc/94/27/02/1024942702.db2.gz DXPOFWQOCXJKTC-GXFFZTMASA-N 0 1 303.324 3.564 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000793232604 1024949215 /nfs/dbraw/zinc/94/92/15/1024949215.db2.gz ZIPYVUYQYIQKNB-XCBNKYQSSA-N 0 1 311.706 3.957 20 10 DHCDMN CC1(C)C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805108373 1025533260 /nfs/dbraw/zinc/53/32/60/1025533260.db2.gz HEPYUTCIUYQPPA-SECBINFHSA-N 0 1 317.216 3.544 20 10 DHCDMN COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])o1 ZINC000877395905 1033293856 /nfs/dbraw/zinc/29/38/56/1033293856.db2.gz PBDRBTZOGAFQTD-CQSZACIVSA-N 0 1 323.339 3.747 20 10 DHCDMN CC(C)SCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000806167600 1025825887 /nfs/dbraw/zinc/82/58/87/1025825887.db2.gz BGZIWBYYFKWAFW-JTQLQIEISA-N 0 1 318.280 3.947 20 10 DHCDMN O=C(Cc1cccs1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839642 1026132193 /nfs/dbraw/zinc/13/21/93/1026132193.db2.gz QUFCAPLLBIXLKX-UHFFFAOYSA-N 0 1 316.209 3.619 20 10 DHCDMN CC(C)OCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836682 1026129015 /nfs/dbraw/zinc/12/90/15/1026129015.db2.gz KBYZCUDOMHUSIN-UHFFFAOYSA-N 0 1 320.216 3.520 20 10 DHCDMN Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807835991 1026129201 /nfs/dbraw/zinc/12/92/01/1026129201.db2.gz DKUOCNREVSEDNA-UHFFFAOYSA-N 0 1 316.209 3.999 20 10 DHCDMN CSCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836157 1026129292 /nfs/dbraw/zinc/12/92/92/1026129292.db2.gz POEADCVTXTWWDT-UHFFFAOYSA-N 0 1 322.257 3.849 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cncc(Cl)n1 ZINC000808089932 1026202293 /nfs/dbraw/zinc/20/22/93/1026202293.db2.gz MTCSLOPCTMYHQM-UHFFFAOYSA-N 0 1 304.564 3.755 20 10 DHCDMN CCOc1ccc(O)c(CNCc2cc(-c3ccccc3)on2)c1 ZINC000237079015 1026304678 /nfs/dbraw/zinc/30/46/78/1026304678.db2.gz CSEVONUDGSJASR-UHFFFAOYSA-N 0 1 324.380 3.736 20 10 DHCDMN Cc1cc(C)c(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000178853576 1026324320 /nfs/dbraw/zinc/32/43/20/1026324320.db2.gz DGHDJIBGWZOXHK-UHFFFAOYSA-N 0 1 300.358 3.549 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cncc(OC)c2)cc1 ZINC000808705910 1026358561 /nfs/dbraw/zinc/35/85/61/1026358561.db2.gz BATUJFYPARFTCZ-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1[O-] ZINC000808702408 1026375879 /nfs/dbraw/zinc/37/58/79/1026375879.db2.gz GXSYOZCLKLYLHE-ZCDTZLGTSA-N 0 1 309.837 3.962 20 10 DHCDMN COc1cc(C)cc(CNCc2c(F)cccc2Cl)c1O ZINC000894209914 1026419042 /nfs/dbraw/zinc/41/90/42/1026419042.db2.gz AITLVLPZYVINFI-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000809693223 1026585068 /nfs/dbraw/zinc/58/50/68/1026585068.db2.gz QPVBQWZLDSJGCQ-CQSZACIVSA-N 0 1 309.772 3.635 20 10 DHCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700203 1026586849 /nfs/dbraw/zinc/58/68/49/1026586849.db2.gz ACNVTONEKXUGKH-RYUDHWBXSA-N 0 1 315.816 3.700 20 10 DHCDMN Cc1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000809704257 1026600108 /nfs/dbraw/zinc/60/01/08/1026600108.db2.gz XNVUKBJSMQKDDY-UHFFFAOYSA-N 0 1 303.789 3.749 20 10 DHCDMN CC[C@H](N[C@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233240 1026618246 /nfs/dbraw/zinc/61/82/46/1026618246.db2.gz VJKQBTDPXAJNEY-OCCSQVGLSA-N 0 1 302.422 3.744 20 10 DHCDMN Cc1cc(Cl)cc(CN(Cc2cccnc2)C2CC2)c1O ZINC000809763743 1026619903 /nfs/dbraw/zinc/61/99/03/1026619903.db2.gz QOBQYAUYOBBDJH-UHFFFAOYSA-N 0 1 302.805 3.914 20 10 DHCDMN Cc1cc(Cl)cc(CN(Cc2ccccn2)C2CC2)c1O ZINC000809763799 1026620617 /nfs/dbraw/zinc/62/06/17/1026620617.db2.gz RKXFKSPSMODISK-UHFFFAOYSA-N 0 1 302.805 3.914 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213533 1026707802 /nfs/dbraw/zinc/70/78/02/1026707802.db2.gz USEMPLHMTOFFLS-JSGCOSHPSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215458 1026709552 /nfs/dbraw/zinc/70/95/52/1026709552.db2.gz FVFCYDKGSDJBHZ-GXFFZTMASA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218933 1026709990 /nfs/dbraw/zinc/70/99/90/1026709990.db2.gz MAWXEOIHDSLGOQ-ZDUSSCGKSA-N 0 1 313.323 3.683 20 10 DHCDMN CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215605 1026710199 /nfs/dbraw/zinc/71/01/99/1026710199.db2.gz HXSYCTBGUCNZHP-ZDUSSCGKSA-N 0 1 314.307 3.948 20 10 DHCDMN CCOCCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207218 1026718556 /nfs/dbraw/zinc/71/85/56/1026718556.db2.gz GADFKRDHFQRVTI-ZDUSSCGKSA-N 0 1 305.340 3.878 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210800 1026719225 /nfs/dbraw/zinc/71/92/25/1026719225.db2.gz DVXQVJVXCTUTTJ-RISCZKNCSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238206 1026725715 /nfs/dbraw/zinc/72/57/15/1026725715.db2.gz OFDBFBRTSDNVLF-LEWSCRJBSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@](C)(NCc1cc(C)cc(OC)c1O)c1nc(C)cs1 ZINC000894269428 1027246139 /nfs/dbraw/zinc/24/61/39/1027246139.db2.gz NIEDRKNOMMRYIC-KRWDZBQOSA-N 0 1 320.458 3.889 20 10 DHCDMN C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cc(Cl)ccc1[O-] ZINC000812736975 1027381748 /nfs/dbraw/zinc/38/17/48/1027381748.db2.gz KUSPYUKRVDXSHO-NSHDSACASA-N 0 1 319.836 3.509 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(F)c(F)cc2F)c1 ZINC000813332073 1027608749 /nfs/dbraw/zinc/60/87/49/1027608749.db2.gz ZOJKSBFHNSWBFE-SECBINFHSA-N 0 1 311.303 3.669 20 10 DHCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1O ZINC000778989311 1027723975 /nfs/dbraw/zinc/72/39/75/1027723975.db2.gz UWDQCIDJMDHPGH-UHFFFAOYSA-N 0 1 302.393 3.619 20 10 DHCDMN CC1(C)CN(Cc2cccc(Cl)c2O)C[C@@H](C(F)(F)F)O1 ZINC000814176798 1027910947 /nfs/dbraw/zinc/91/09/47/1027910947.db2.gz UZMBQSCZRPDBCY-NSHDSACASA-N 0 1 323.742 3.587 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000814172459 1027911822 /nfs/dbraw/zinc/91/18/22/1027911822.db2.gz OINIRUVXMCNFPA-UHFFFAOYSA-N 0 1 310.235 3.777 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366544074 1028098128 /nfs/dbraw/zinc/09/81/28/1028098128.db2.gz KNYCBRCAZHLMCY-FZKQIMNGSA-N 0 1 312.413 3.940 20 10 DHCDMN CCc1noc(C)c1C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368035083 1028282589 /nfs/dbraw/zinc/28/25/89/1028282589.db2.gz LUJZGLSISYIOIZ-UHFFFAOYSA-N 0 1 311.429 3.511 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000368133953 1028311023 /nfs/dbraw/zinc/31/10/23/1028311023.db2.gz KNBSIKVJNPGVLR-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000368133953 1028311039 /nfs/dbraw/zinc/31/10/39/1028311039.db2.gz KNBSIKVJNPGVLR-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000368133953 1028311057 /nfs/dbraw/zinc/31/10/57/1028311057.db2.gz KNBSIKVJNPGVLR-AWEZNQCLSA-N 0 1 305.809 3.723 20 10 DHCDMN CCN(C)c1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000815107557 1028379902 /nfs/dbraw/zinc/37/99/02/1028379902.db2.gz QQPMWOQOPFKTNQ-LJQANCHMSA-N 0 1 312.461 3.603 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cncc(F)c2)cc1 ZINC000779147916 1028431849 /nfs/dbraw/zinc/43/18/49/1028431849.db2.gz RLCWSKPBPCKSFB-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000187987941 1028488618 /nfs/dbraw/zinc/48/86/18/1028488618.db2.gz IBOZSJXDVBMGNN-QGZVFWFLSA-N 0 1 324.472 3.872 20 10 DHCDMN C[C@@H](NCC(C)(F)F)c1cc(Br)c(F)cc1O ZINC000815644693 1028591542 /nfs/dbraw/zinc/59/15/42/1028591542.db2.gz JHPVOQMEPRPOFV-ZCFIWIBFSA-N 0 1 312.129 3.600 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000370719110 1028644051 /nfs/dbraw/zinc/64/40/51/1028644051.db2.gz IRCQYMQSGSZBHP-CQSZACIVSA-N 0 1 302.805 3.505 20 10 DHCDMN Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816494403 1028897592 /nfs/dbraw/zinc/89/75/92/1028897592.db2.gz JWQQYALKTMEKDE-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816494403 1028897613 /nfs/dbraw/zinc/89/76/13/1028897613.db2.gz JWQQYALKTMEKDE-MRXNPFEDSA-N 0 1 321.424 3.659 20 10 DHCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816537730 1028927503 /nfs/dbraw/zinc/92/75/03/1028927503.db2.gz PTYXIWVHNKUDKH-IBGZPJMESA-N 0 1 307.393 3.677 20 10 DHCDMN CN(C)c1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816548125 1028928484 /nfs/dbraw/zinc/92/84/84/1028928484.db2.gz VWTRXFBQRIIYDJ-UHFFFAOYSA-N 0 1 306.409 3.901 20 10 DHCDMN [O-]c1c(C[NH2+]CCCc2ccc(O)cc2)ccc2ccccc21 ZINC000816550720 1028931978 /nfs/dbraw/zinc/93/19/78/1028931978.db2.gz ZTGTXGKEPJVFDU-UHFFFAOYSA-N 0 1 307.393 3.973 20 10 DHCDMN [O-]c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816586144 1028935205 /nfs/dbraw/zinc/93/52/05/1028935205.db2.gz BARKJWKBFVTLIW-LJQANCHMSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc2ccccc21 ZINC000816568091 1028947536 /nfs/dbraw/zinc/94/75/36/1028947536.db2.gz WPWDVPFVQBDETR-GOSISDBHSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630441 1028953067 /nfs/dbraw/zinc/95/30/67/1028953067.db2.gz DSYYDDGYRPBFQJ-ZDUSSCGKSA-N 0 1 316.228 3.578 20 10 DHCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1[C@H]1CCCO1 ZINC000816614084 1028962483 /nfs/dbraw/zinc/96/24/83/1028962483.db2.gz MIFPCLDBJVDPMG-MJGOQNOKSA-N 0 1 311.425 3.935 20 10 DHCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1[C@H]1CCCO1 ZINC000816614084 1028962495 /nfs/dbraw/zinc/96/24/95/1028962495.db2.gz MIFPCLDBJVDPMG-MJGOQNOKSA-N 0 1 311.425 3.935 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000816610630 1028964499 /nfs/dbraw/zinc/96/44/99/1028964499.db2.gz RTFVKAZVYLLDPK-OAHLLOKOSA-N 0 1 306.768 3.917 20 10 DHCDMN Cc1ccc(O)c(CN2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000816642593 1028969507 /nfs/dbraw/zinc/96/95/07/1028969507.db2.gz DYSZZHWLOJBZBZ-HNNXBMFYSA-N 0 1 317.351 3.632 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667490 1028983928 /nfs/dbraw/zinc/98/39/28/1028983928.db2.gz OJTVLROQBUIVGL-LBPRGKRZSA-N 0 1 313.800 3.576 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000373370269 1029024359 /nfs/dbraw/zinc/02/43/59/1029024359.db2.gz POWKBAYIPGBFCF-SJORKVTESA-N 0 1 309.837 3.649 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN[C@@H]1COc2cccc(F)c21 ZINC000373620994 1029096301 /nfs/dbraw/zinc/09/63/01/1029096301.db2.gz ARMBDJAVMDXGPE-LLVKDONJSA-N 0 1 311.715 3.547 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000924648262 1030150419 /nfs/dbraw/zinc/15/04/19/1030150419.db2.gz LNORIDILLSWGBZ-MRXNPFEDSA-N 0 1 324.472 3.670 20 10 DHCDMN COc1ccnc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000924650426 1030151909 /nfs/dbraw/zinc/15/19/09/1030151909.db2.gz YDWCBJFCIHHNAS-OAHLLOKOSA-N 0 1 311.429 3.541 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cc(OC)ccn2)cc1 ZINC000924711118 1030168081 /nfs/dbraw/zinc/16/80/81/1030168081.db2.gz QOWPVJZQKMUDPG-HNNXBMFYSA-N 0 1 313.445 3.787 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1[O-] ZINC000866477780 1030312711 /nfs/dbraw/zinc/31/27/11/1030312711.db2.gz BSFWYOSIGVAOOB-GFCCVEGCSA-N 0 1 317.816 3.969 20 10 DHCDMN C[C@H](NCc1nn(C)cc1C(F)F)c1cc(Cl)ccc1O ZINC000866565654 1030379349 /nfs/dbraw/zinc/37/93/49/1030379349.db2.gz OSWLHILRCQCNOA-QMMMGPOBSA-N 0 1 315.751 3.568 20 10 DHCDMN Cc1cc(C(=O)CN(C)C(C)(C)C)c(C)n1-c1ccc(F)cn1 ZINC000830566100 1030477122 /nfs/dbraw/zinc/47/71/22/1030477122.db2.gz HZFZAUJTJPTJAE-UHFFFAOYSA-N 0 1 317.408 3.541 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC(F)(F)[C@H](C)C2)c1O ZINC000291443768 1030505751 /nfs/dbraw/zinc/50/57/51/1030505751.db2.gz CBNVFMNKJJKEKF-SECBINFHSA-N 0 1 305.752 3.531 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926814 1030674243 /nfs/dbraw/zinc/67/42/43/1030674243.db2.gz HKQBZJPCJVZJTC-WBMJQRKESA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000824926814 1030674251 /nfs/dbraw/zinc/67/42/51/1030674251.db2.gz HKQBZJPCJVZJTC-WBMJQRKESA-N 0 1 319.836 3.634 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1Cl ZINC000825089770 1030722672 /nfs/dbraw/zinc/72/26/72/1030722672.db2.gz JAHUVPLBPDTAPE-NSHDSACASA-N 0 1 319.788 3.934 20 10 DHCDMN CCc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cs1 ZINC000825185253 1030741950 /nfs/dbraw/zinc/74/19/50/1030741950.db2.gz LJSAHBWXCZVHQZ-UHFFFAOYSA-N 0 1 310.850 3.705 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1Cl ZINC000825394583 1030800635 /nfs/dbraw/zinc/80/06/35/1030800635.db2.gz CAUAZXDUAWLJLJ-UGSOOPFHSA-N 0 1 319.832 3.956 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2c1c(F)ccc2[O-] ZINC000926915420 1030986481 /nfs/dbraw/zinc/98/64/81/1030986481.db2.gz GNGPLMBIUHOACP-VPSJLMRDSA-N 0 1 305.393 3.628 20 10 DHCDMN COc1c(F)cc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC001143848460 1031010684 /nfs/dbraw/zinc/01/06/84/1031010684.db2.gz ZFINUEXKBKNAEZ-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000927067697 1031068703 /nfs/dbraw/zinc/06/87/03/1031068703.db2.gz CYJXPXBTEFCRLO-BNLOLNQZSA-N 0 1 309.837 3.901 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)NCc2cc(C3CC3)n(C)n2)c1O ZINC000927108148 1031093050 /nfs/dbraw/zinc/09/30/50/1031093050.db2.gz ODDOHRHKQIKGLK-NSHDSACASA-N 0 1 319.836 3.816 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844745708 1031311601 /nfs/dbraw/zinc/31/16/01/1031311601.db2.gz FEQMEKDMPCBLMV-INIZCTEOSA-N 0 1 304.340 3.562 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844745708 1031311619 /nfs/dbraw/zinc/31/16/19/1031311619.db2.gz FEQMEKDMPCBLMV-INIZCTEOSA-N 0 1 304.340 3.562 20 10 DHCDMN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)cc1[O-] ZINC000293349051 1031439019 /nfs/dbraw/zinc/43/90/19/1031439019.db2.gz GVXSEXGIVXUHJP-MRVPVSSYSA-N 0 1 320.177 3.851 20 10 DHCDMN C[C@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299106 1031439104 /nfs/dbraw/zinc/43/91/04/1031439104.db2.gz PKWBEFNLMVUDJD-VIFPVBQESA-N 0 1 302.187 3.526 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001144299030 1031439471 /nfs/dbraw/zinc/43/94/71/1031439471.db2.gz PESFBTHBWMEFFJ-SNVBAGLBSA-N 0 1 320.177 3.618 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cc(C)nnc2C)cc1 ZINC000929184878 1031459049 /nfs/dbraw/zinc/45/90/49/1031459049.db2.gz MOGWMAHAXKKSDF-UHFFFAOYSA-N 0 1 312.461 3.572 20 10 DHCDMN Cc1nnsc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000293752880 1031603902 /nfs/dbraw/zinc/60/39/02/1031603902.db2.gz RNGMJDDMQZVZFV-CYBMUJFWSA-N 0 1 316.474 3.688 20 10 DHCDMN CCCOc1ccc(CNCc2cccnc2N(C)C)cc1C ZINC000873011936 1031692574 /nfs/dbraw/zinc/69/25/74/1031692574.db2.gz LCNQQVLOBOASOE-UHFFFAOYSA-N 0 1 313.445 3.535 20 10 DHCDMN Fc1ccc2oc(CNCCCSc3nccs3)nc2c1 ZINC000873053636 1031702441 /nfs/dbraw/zinc/70/24/41/1031702441.db2.gz DWSMICMLRIVODW-UHFFFAOYSA-N 0 1 323.418 3.695 20 10 DHCDMN CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000361064768 1031705192 /nfs/dbraw/zinc/70/51/92/1031705192.db2.gz BQYQUSITWXUGFF-OAHLLOKOSA-N 0 1 317.408 3.516 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C(F)(F)F)cc1[O-] ZINC000846043422 1031839679 /nfs/dbraw/zinc/83/96/79/1031839679.db2.gz BAAHETPMSATFQS-OPQSFPLASA-N 0 1 315.335 3.772 20 10 DHCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001142520264 1031843926 /nfs/dbraw/zinc/84/39/26/1031843926.db2.gz DXCZGZBPNMLDBC-INIZCTEOSA-N 0 1 304.340 3.793 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846103876 1031875709 /nfs/dbraw/zinc/87/57/09/1031875709.db2.gz AXXLRZHTWLXMFY-CYBMUJFWSA-N 0 1 305.727 3.806 20 10 DHCDMN COc1cccc([C@H](C)N[C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000846171104 1031897488 /nfs/dbraw/zinc/89/74/88/1031897488.db2.gz DBKHPVXVJAQMRY-XZOAIXRZSA-N 0 1 301.361 3.689 20 10 DHCDMN COc1cccc([C@H](C)N[C@@H](C)c2c(F)cccc2OC)c1O ZINC000846144525 1031907368 /nfs/dbraw/zinc/90/73/68/1031907368.db2.gz HKRZQEOHGWTSPC-RYUDHWBXSA-N 0 1 319.376 3.960 20 10 DHCDMN Cc1ccc(CN[C@@H](Cc2ccccc2)c2nccn2C)c(O)c1 ZINC000877612573 1033382805 /nfs/dbraw/zinc/38/28/05/1033382805.db2.gz KXIYUUVFHNUUJC-SFHVURJKSA-N 0 1 321.424 3.508 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672633 1033404638 /nfs/dbraw/zinc/40/46/38/1033404638.db2.gz JJHQAHQZMAHUGM-DOTOQJQBSA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672635 1033406922 /nfs/dbraw/zinc/40/69/22/1033406922.db2.gz JJHQAHQZMAHUGM-RDJZCZTQSA-N 0 1 317.816 3.744 20 10 DHCDMN CC(C)c1nn(C)c(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000877757220 1033435125 /nfs/dbraw/zinc/43/51/25/1033435125.db2.gz PDVWUEWHLRTZGJ-NSHDSACASA-N 0 1 307.825 3.753 20 10 DHCDMN Cc1csc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000877813679 1033462964 /nfs/dbraw/zinc/46/29/64/1033462964.db2.gz NPALWDKCVKGYBT-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1csc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000877813679 1033462967 /nfs/dbraw/zinc/46/29/67/1033462967.db2.gz NPALWDKCVKGYBT-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877824114 1033473205 /nfs/dbraw/zinc/47/32/05/1033473205.db2.gz OVVLNYMMSORTJT-RNCFNFMXSA-N 0 1 323.742 3.587 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl ZINC000826017828 1033571273 /nfs/dbraw/zinc/57/12/73/1033571273.db2.gz VWABGCVKSXXNHA-QGZVFWFLSA-N 0 1 321.848 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl ZINC000826017828 1033571277 /nfs/dbraw/zinc/57/12/77/1033571277.db2.gz VWABGCVKSXXNHA-QGZVFWFLSA-N 0 1 321.848 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl ZINC000826017828 1033571287 /nfs/dbraw/zinc/57/12/87/1033571287.db2.gz VWABGCVKSXXNHA-QGZVFWFLSA-N 0 1 321.848 3.745 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000826062917 1033780137 /nfs/dbraw/zinc/78/01/37/1033780137.db2.gz YMSRSYBRMBOMQV-GUYCJALGSA-N 0 1 311.853 3.895 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473535 1033862549 /nfs/dbraw/zinc/86/25/49/1033862549.db2.gz UUEPWTSAYXVTGI-MNOVXSKESA-N 0 1 301.814 3.655 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483737 1033864942 /nfs/dbraw/zinc/86/49/42/1033864942.db2.gz XZBCGPFQBBXZJU-GOSISDBHSA-N 0 1 317.816 3.529 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541553 1033884643 /nfs/dbraw/zinc/88/46/43/1033884643.db2.gz WECUDPXBUQHTST-ZDUSSCGKSA-N 0 1 303.789 3.741 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000862541553 1033884658 /nfs/dbraw/zinc/88/46/58/1033884658.db2.gz WECUDPXBUQHTST-ZDUSSCGKSA-N 0 1 303.789 3.741 20 10 DHCDMN Oc1c(Cl)cccc1CN1CCOc2cc(F)ccc2C1 ZINC000862551073 1033886992 /nfs/dbraw/zinc/88/69/92/1033886992.db2.gz QSNZPMMMSSCRQW-UHFFFAOYSA-N 0 1 307.752 3.579 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C2CCC(OC(F)F)CC2)cc1Cl ZINC000826097309 1033954328 /nfs/dbraw/zinc/95/43/28/1033954328.db2.gz XUHMTNGZTFSFJP-UHFFFAOYSA-N 0 1 319.779 3.994 20 10 DHCDMN CCn1cc(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000794555489 1034188301 /nfs/dbraw/zinc/18/83/01/1034188301.db2.gz MEBVVRGZFHRDMU-UHFFFAOYSA-N 0 1 313.445 3.596 20 10 DHCDMN CCn1cc(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000794555489 1034188320 /nfs/dbraw/zinc/18/83/20/1034188320.db2.gz MEBVVRGZFHRDMU-UHFFFAOYSA-N 0 1 313.445 3.596 20 10 DHCDMN Oc1c(CNc2ccc(OC(F)F)cc2)ccc(F)c1F ZINC000864019173 1034258547 /nfs/dbraw/zinc/25/85/47/1034258547.db2.gz RNJSOCLFMOIKEX-UHFFFAOYSA-N 0 1 301.239 3.884 20 10 DHCDMN COc1c(F)cc(F)cc1NCc1ccc(F)c(F)c1O ZINC000864028404 1034265251 /nfs/dbraw/zinc/26/52/51/1034265251.db2.gz VOQJWLAKTHXGBN-UHFFFAOYSA-N 0 1 301.239 3.569 20 10 DHCDMN C[C@@H](NCc1nccn1CCc1ccccc1)c1ccccc1O ZINC000183547038 1034400249 /nfs/dbraw/zinc/40/02/49/1034400249.db2.gz PLCDGQPMRRARSK-MRXNPFEDSA-N 0 1 321.424 3.682 20 10 DHCDMN C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])c1cccnc1 ZINC000184882921 1034508222 /nfs/dbraw/zinc/50/82/22/1034508222.db2.gz ZLIJPWWNMNLUGQ-GHMZBOCLSA-N 0 1 321.218 3.962 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211486735 1034570459 /nfs/dbraw/zinc/57/04/59/1034570459.db2.gz BOZPLQMWOGUUFR-RISCZKNCSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211486735 1034570463 /nfs/dbraw/zinc/57/04/63/1034570463.db2.gz BOZPLQMWOGUUFR-RISCZKNCSA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@H]([NH2+]C1CCSCC1)c1cc(Br)ccc1[O-] ZINC000185978422 1034590602 /nfs/dbraw/zinc/59/06/02/1034590602.db2.gz SZVAZYOAOXRXIE-VIFPVBQESA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@H]1C[C@@H]1c1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000865296565 1034591142 /nfs/dbraw/zinc/59/11/42/1034591142.db2.gz ZXFAUNNMSUGVGD-RCOVLWMOSA-N 0 1 314.172 3.818 20 10 DHCDMN CC[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534105 1034637661 /nfs/dbraw/zinc/63/76/61/1034637661.db2.gz HVSSIWUCVFZPPO-SJORKVTESA-N 0 1 302.418 3.510 20 10 DHCDMN CC(C)(C)OC(=O)CCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000773427350 1034689632 /nfs/dbraw/zinc/68/96/32/1034689632.db2.gz KQMYZCCQDKMQOX-UHFFFAOYSA-N 0 1 313.825 3.647 20 10 DHCDMN CSc1ccccc1NC(=S)NCc1ccc(Cl)cn1 ZINC001249711466 1035348071 /nfs/dbraw/zinc/34/80/71/1035348071.db2.gz OREQZSOLUHEJLW-UHFFFAOYSA-N 0 1 323.874 3.944 20 10 DHCDMN CN(C)c1cc(F)c(CNCc2cccc3cc[nH]c32)cc1F ZINC001178496552 1035429749 /nfs/dbraw/zinc/42/97/49/1035429749.db2.gz AFDNEQHVADQTTI-UHFFFAOYSA-N 0 1 315.367 3.802 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775555551 1035522281 /nfs/dbraw/zinc/52/22/81/1035522281.db2.gz ZXXXRNCKCHKZES-ZIAGYGMSSA-N 0 1 309.793 3.803 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CCc2ccc(F)cc2C1 ZINC001180296749 1035646357 /nfs/dbraw/zinc/64/63/57/1035646357.db2.gz LCJSQIRAOTVYQG-UHFFFAOYSA-N 0 1 309.743 3.882 20 10 DHCDMN O=C(NCc1ccccc1C1CC1)c1cc(O)c(O)c(Cl)c1 ZINC001193624950 1035677252 /nfs/dbraw/zinc/67/72/52/1035677252.db2.gz AYQRTJISIZYAIG-UHFFFAOYSA-N 0 1 317.772 3.559 20 10 DHCDMN CC(C)(NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(F)c1 ZINC001193625866 1035680891 /nfs/dbraw/zinc/68/08/91/1035680891.db2.gz NFKYOYRFJCRDSA-UHFFFAOYSA-N 0 1 323.751 3.555 20 10 DHCDMN Cc1cccc([C@@H](C)NC(=O)c2cc(O)c(O)c(Cl)c2)c1C ZINC001193633761 1035683686 /nfs/dbraw/zinc/68/36/86/1035683686.db2.gz FZVJKNGWZUYVHO-LLVKDONJSA-N 0 1 319.788 3.859 20 10 DHCDMN CCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2[O-])cc1OC ZINC001180489375 1035686013 /nfs/dbraw/zinc/68/60/13/1035686013.db2.gz ZCGWZPKISUJHTQ-UHFFFAOYSA-N 0 1 319.376 3.571 20 10 DHCDMN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1Cl ZINC000130327628 1036120849 /nfs/dbraw/zinc/12/08/49/1036120849.db2.gz GHNJOAPQUVGKQO-SECBINFHSA-N 0 1 323.751 3.764 20 10 DHCDMN C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774096108 1036161276 /nfs/dbraw/zinc/16/12/76/1036161276.db2.gz HRKHIAXHKOBCKH-SNVBAGLBSA-N 0 1 319.276 3.937 20 10 DHCDMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(N(C)C)c1 ZINC001195316816 1036218385 /nfs/dbraw/zinc/21/83/85/1036218385.db2.gz KHBOAVOCFUQQOG-UHFFFAOYSA-N 0 1 324.833 3.515 20 10 DHCDMN COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000192945083 1036276697 /nfs/dbraw/zinc/27/66/97/1036276697.db2.gz PUDJBEDUUYCRAC-CYBMUJFWSA-N 0 1 308.381 3.800 20 10 DHCDMN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000775681160 1036412544 /nfs/dbraw/zinc/41/25/44/1036412544.db2.gz NCDSPBOMVIESTJ-AWEZNQCLSA-N 0 1 315.816 3.966 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001182977474 1036499398 /nfs/dbraw/zinc/49/93/98/1036499398.db2.gz FCUFLFGPVVBELS-OAHLLOKOSA-N 0 1 321.779 3.838 20 10 DHCDMN O=C1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]12 ZINC001203586475 1036824921 /nfs/dbraw/zinc/82/49/21/1036824921.db2.gz OHODLPHRDQWCGA-SKDRFNHKSA-N 0 1 314.212 3.500 20 10 DHCDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774879609 1037153855 /nfs/dbraw/zinc/15/38/55/1037153855.db2.gz JGTMWLMJSBYCPW-VXGBXAGGSA-N 0 1 322.405 3.708 20 10 DHCDMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774903234 1037192703 /nfs/dbraw/zinc/19/27/03/1037192703.db2.gz JRXPOZSAYJJBMR-GXTWGEPZSA-N 0 1 322.405 3.710 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774909519 1037202378 /nfs/dbraw/zinc/20/23/78/1037202378.db2.gz REXKHALQOKHCJD-AWEZNQCLSA-N 0 1 322.405 3.710 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccco1 ZINC000163626285 1037654483 /nfs/dbraw/zinc/65/44/83/1037654483.db2.gz PTTXPVIGDVHQHR-CQSZACIVSA-N 0 1 302.443 3.684 20 10 DHCDMN COc1cc(CC[NH2+]Cc2c([O-])cccc2Cl)ccc1C ZINC000776215424 1037914213 /nfs/dbraw/zinc/91/42/13/1037914213.db2.gz CFTOKNKLCKPDAQ-UHFFFAOYSA-N 0 1 305.805 3.695 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775496196 1038572831 /nfs/dbraw/zinc/57/28/31/1038572831.db2.gz GOVFUTLHVIGEDD-ABAIWWIYSA-N 0 1 305.809 3.508 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775498195 1038581423 /nfs/dbraw/zinc/58/14/23/1038581423.db2.gz INFPVMLRJYOXEY-BMIGLBTASA-N 0 1 307.825 3.889 20 10 DHCDMN Cc1cc(CNCc2oc(C)nc2C)c(C)n1-c1ccccc1 ZINC000323907818 1039045712 /nfs/dbraw/zinc/04/57/12/1039045712.db2.gz RCRVVPIUNFNTCQ-UHFFFAOYSA-N 0 1 309.413 3.989 20 10 DHCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000230698485 1039957933 /nfs/dbraw/zinc/95/79/33/1039957933.db2.gz AZPGBVUPLYDSDS-NEPJUHHUSA-N 0 1 316.264 3.528 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccccn2)c1O ZINC000761191415 1040560756 /nfs/dbraw/zinc/56/07/56/1040560756.db2.gz TZDBIOGQZNFMCG-HNNXBMFYSA-N 0 1 318.804 3.786 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(OC)c1O ZINC000761196236 1040570624 /nfs/dbraw/zinc/57/06/24/1040570624.db2.gz ZQCAAARWQYXYGX-UHFFFAOYSA-N 0 1 320.820 3.514 20 10 DHCDMN CC[C@H](NCc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000284363275 131074160 /nfs/dbraw/zinc/07/41/60/131074160.db2.gz NEJLIVLZVFKHHO-IBGZPJMESA-N 0 1 321.424 3.878 20 10 DHCDMN CCc1nn(C)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000091070076 331918409 /nfs/dbraw/zinc/91/84/09/331918409.db2.gz RDAMBRKRDCUDQF-UHFFFAOYSA-N 0 1 300.189 3.607 20 10 DHCDMN COC[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630144 333210871 /nfs/dbraw/zinc/21/08/71/333210871.db2.gz DOFMKLNRCAKQAI-FZMZJTMJSA-N 0 1 309.793 3.985 20 10 DHCDMN COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c1O ZINC000295029776 335129733 /nfs/dbraw/zinc/12/97/33/335129733.db2.gz NTSZSHSICZKLEK-PWSUYJOCSA-N 0 1 303.324 3.564 20 10 DHCDMN Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1[O-])C2 ZINC000368315895 336842272 /nfs/dbraw/zinc/84/22/72/336842272.db2.gz MXSIQPMSCJDKMM-GOEBONIOSA-N 0 1 321.424 3.716 20 10 DHCDMN COc1cccc([C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])OC)c1 ZINC000527737436 337758780 /nfs/dbraw/zinc/75/87/80/337758780.db2.gz NPVGKRVLHJDXHK-KRWDZBQOSA-N 0 1 321.804 3.532 20 10 DHCDMN COc1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C2CC2)cn1 ZINC000527840795 337767930 /nfs/dbraw/zinc/76/79/30/337767930.db2.gz JEOHMPZNKIZKDS-QGZVFWFLSA-N 0 1 318.804 3.690 20 10 DHCDMN CC[C@@H](N[C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1O ZINC000156317769 522947847 /nfs/dbraw/zinc/94/78/47/522947847.db2.gz KNMVURVDZIIFLV-CABCVRRESA-N 0 1 314.433 3.683 20 10 DHCDMN C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c([O-])cccc1Cl ZINC000131120559 524845707 /nfs/dbraw/zinc/84/57/07/524845707.db2.gz WFJLQAPDYDKTNW-IINYFYTJSA-N 0 1 311.834 3.709 20 10 DHCDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnccn1 ZINC000157502981 525446625 /nfs/dbraw/zinc/44/66/25/525446625.db2.gz VAUJODBMXROZMM-INIZCTEOSA-N 0 1 310.445 3.564 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1nc2c(s1)CCCC2 ZINC000130224434 525526657 /nfs/dbraw/zinc/52/66/57/525526657.db2.gz SOSQABBZBMOQDD-CYBMUJFWSA-N 0 1 315.486 3.939 20 10 DHCDMN CSC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134922467 525693520 /nfs/dbraw/zinc/69/35/20/525693520.db2.gz YFTMHUYYQVAVSX-DTWKUNHWSA-N 0 1 304.253 3.557 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000738463767 599841732 /nfs/dbraw/zinc/84/17/32/599841732.db2.gz KPZMEQKKRKEPDI-OAHLLOKOSA-N 0 1 305.418 3.653 20 10 DHCDMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001595362577 980772733 /nfs/dbraw/zinc/77/27/33/980772733.db2.gz KKGVIGMCAIXOPC-MRXNPFEDSA-N 0 1 317.360 3.569 20 10 DHCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001595362577 980772737 /nfs/dbraw/zinc/77/27/37/980772737.db2.gz KKGVIGMCAIXOPC-MRXNPFEDSA-N 0 1 317.360 3.569 20 10 DHCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595405921 980988276 /nfs/dbraw/zinc/98/82/76/980988276.db2.gz VHYZEXWTXZDWPV-NHYWBVRUSA-N 0 1 318.392 3.636 20 10 DHCDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595408391 980998268 /nfs/dbraw/zinc/99/82/68/980998268.db2.gz JXSVSUMWHGQHIR-DGCLKSJQSA-N 0 1 318.392 3.636 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001595890829 982922136 /nfs/dbraw/zinc/92/21/36/982922136.db2.gz GCOKVSLFUFAXFH-CYBMUJFWSA-N 0 1 317.385 3.965 20 10 DHCDMN COc1ccc(CN2CCc3sccc3[C@H]2C)c(O)c1OC ZINC000891525545 1015353685 /nfs/dbraw/zinc/35/36/85/1015353685.db2.gz WDEXSDPCDSZIPC-LLVKDONJSA-N 0 1 319.426 3.590 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cn(C)nc2C2CC2)C2CC2)cc1 ZINC000891595590 1015434499 /nfs/dbraw/zinc/43/44/99/1015434499.db2.gz AKWHSQDOTYSUEE-UHFFFAOYSA-N 0 1 324.472 3.528 20 10 DHCDMN Cc1cc(O)c(CNCc2nc3c(s2)CCC3)cc1Cl ZINC000896288107 1015537643 /nfs/dbraw/zinc/53/76/43/1015537643.db2.gz VGMCXGZJVDATAZ-UHFFFAOYSA-N 0 1 308.834 3.589 20 10 DHCDMN [O-]c1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000896422916 1015582074 /nfs/dbraw/zinc/58/20/74/1015582074.db2.gz NBBWOCCSJXTMCR-ZFWWWQNUSA-N 0 1 307.752 3.607 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896537367 1015626058 /nfs/dbraw/zinc/62/60/58/1015626058.db2.gz UUPCTZVKYCFANK-LBPRGKRZSA-N 0 1 322.861 3.957 20 10 DHCDMN CC(C)C[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C(C)C ZINC001591343349 992325586 /nfs/dbraw/zinc/32/55/86/992325586.db2.gz XSVATCFNSYIZQO-UHFFFAOYSA-N 0 1 320.408 3.882 20 10 DHCDMN C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)c(F)c1O ZINC000276956009 1015772084 /nfs/dbraw/zinc/77/20/84/1015772084.db2.gz RHVVGELLDZTQBT-JTQLQIEISA-N 0 1 321.323 3.621 20 10 DHCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)[nH]1 ZINC000277234236 1016090557 /nfs/dbraw/zinc/09/05/57/1016090557.db2.gz MPBFERVZEQOQAA-YNEHKIRRSA-N 0 1 302.422 3.744 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC001167549219 1016385548 /nfs/dbraw/zinc/38/55/48/1016385548.db2.gz LCDYCRQJODBMIB-OAQYLSRUSA-N 0 1 324.468 3.943 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@H](C)OC)c1cc(Br)ccc1[O-] ZINC000311096356 1036886670 /nfs/dbraw/zinc/88/66/70/1036886670.db2.gz SGHATIXTWZCLAS-GXFFZTMASA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185370295 1016883353 /nfs/dbraw/zinc/88/33/53/1016883353.db2.gz VZOSCJCTCZNXGF-CRAIPNDOSA-N 0 1 321.420 3.800 20 10 DHCDMN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000113338725 1016905820 /nfs/dbraw/zinc/90/58/20/1016905820.db2.gz SQXVBPHVHGDMSE-UHFFFAOYSA-N 0 1 309.768 3.873 20 10 DHCDMN COc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1F ZINC000840876820 1017251983 /nfs/dbraw/zinc/25/19/83/1017251983.db2.gz ZVVWBXHCGBFVHL-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Cc1cc(NCc2ccccc2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000322898715 1032252664 /nfs/dbraw/zinc/25/26/64/1032252664.db2.gz CFRYMDLZXFDMON-UHFFFAOYSA-N 0 1 309.325 3.769 20 10 DHCDMN CC(C)(C)n1ncnc1NCc1cc(Cl)cc(Cl)c1O ZINC000282729573 1032466695 /nfs/dbraw/zinc/46/66/95/1032466695.db2.gz WYZUIGSVKKETOG-UHFFFAOYSA-N 0 1 315.204 3.658 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC000773007453 1032521899 /nfs/dbraw/zinc/52/18/99/1032521899.db2.gz GHLNPWCUKQSPFB-LIRRHRJNSA-N 0 1 316.420 3.666 20 10 DHCDMN CCN(C)c1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000773007451 1032522509 /nfs/dbraw/zinc/52/25/09/1032522509.db2.gz GHLNPWCUKQSPFB-IFXJQAMLSA-N 0 1 316.420 3.666 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877709780 1033419791 /nfs/dbraw/zinc/41/97/91/1033419791.db2.gz IFDSPFXENAFICY-DYVFJYSZSA-N 0 1 309.837 3.649 20 10 DHCDMN CCCC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196877 1012377075 /nfs/dbraw/zinc/37/70/75/1012377075.db2.gz XALILTPLSBJVKY-UHFFFAOYSA-N 0 1 313.397 3.561 20 10 DHCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133894 1017668696 /nfs/dbraw/zinc/66/86/96/1017668696.db2.gz NYAQEDBLBRIVDZ-QMMMGPOBSA-N 0 1 304.615 3.650 20 10 DHCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701061504 1017997671 /nfs/dbraw/zinc/99/76/71/1017997671.db2.gz YSVXDIANKAFKOW-NEPJUHHUSA-N 0 1 316.264 3.528 20 10 DHCDMN CCSCC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701056875 1017994803 /nfs/dbraw/zinc/99/48/03/1017994803.db2.gz KKLZHOJNWIHYDO-JTQLQIEISA-N 0 1 318.280 3.776 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702770683 1018238811 /nfs/dbraw/zinc/23/88/11/1018238811.db2.gz PYTJGAAEPOFNPP-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702825123 1018242474 /nfs/dbraw/zinc/24/24/74/1018242474.db2.gz XVIARJQPNYTUPI-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702825123 1018242481 /nfs/dbraw/zinc/24/24/81/1018242481.db2.gz XVIARJQPNYTUPI-UHFFFAOYSA-N 0 1 320.177 3.776 20 10 DHCDMN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000765099354 1018476364 /nfs/dbraw/zinc/47/63/64/1018476364.db2.gz PDTDAWMFSBNCHV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000765099354 1018476365 /nfs/dbraw/zinc/47/63/65/1018476365.db2.gz PDTDAWMFSBNCHV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1[C@H](C)OCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000765099354 1018476366 /nfs/dbraw/zinc/47/63/66/1018476366.db2.gz PDTDAWMFSBNCHV-OLZOCXBDSA-N 0 1 315.413 3.626 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CCC1CC(F)(F)C1 ZINC000858175379 1032789993 /nfs/dbraw/zinc/78/99/93/1032789993.db2.gz MEUXFIPNNKIDTH-UHFFFAOYSA-N 0 1 320.177 3.680 20 10 DHCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715702490 1018941412 /nfs/dbraw/zinc/94/14/12/1018941412.db2.gz LCXBQZLESRFAST-VIFPVBQESA-N 0 1 302.187 3.668 20 10 DHCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704079 1018943575 /nfs/dbraw/zinc/94/35/75/1018943575.db2.gz VCBSFLRFYFFHQH-NSHDSACASA-N 0 1 302.187 3.668 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC000825768615 1032799023 /nfs/dbraw/zinc/79/90/23/1032799023.db2.gz SMOPBSZSDQOOSD-CYBMUJFWSA-N 0 1 302.805 3.739 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC000825768615 1032799039 /nfs/dbraw/zinc/79/90/39/1032799039.db2.gz SMOPBSZSDQOOSD-CYBMUJFWSA-N 0 1 302.805 3.739 20 10 DHCDMN CC(C)(C)n1cnc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000765950116 1019032073 /nfs/dbraw/zinc/03/20/73/1019032073.db2.gz PCHRMVZEQVCZPN-UHFFFAOYSA-N 0 1 315.204 3.658 20 10 DHCDMN CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134937536 1019052990 /nfs/dbraw/zinc/05/29/90/1019052990.db2.gz RMUCXVHSBKEZAA-IUCAKERBSA-N 0 1 304.253 3.557 20 10 DHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)nc1 ZINC000858241971 1032812003 /nfs/dbraw/zinc/81/20/03/1032812003.db2.gz LOXVQAPPOKGIKQ-UHFFFAOYSA-N 0 1 304.821 3.816 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000091958295 1019497354 /nfs/dbraw/zinc/49/73/54/1019497354.db2.gz VTOHHIYIOVPTIC-ZBFHGGJFSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000091958295 1019497359 /nfs/dbraw/zinc/49/73/59/1019497359.db2.gz VTOHHIYIOVPTIC-ZBFHGGJFSA-N 0 1 321.804 3.727 20 10 DHCDMN COc1cncc(CNCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000858294715 1032836181 /nfs/dbraw/zinc/83/61/81/1032836181.db2.gz MPYHPNVNUMDCCA-UHFFFAOYSA-N 0 1 321.424 3.788 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2ccns2)cc1F ZINC000858316663 1032843216 /nfs/dbraw/zinc/84/32/16/1032843216.db2.gz GHVCJNBXCOIZPK-GFCCVEGCSA-N 0 1 307.438 3.979 20 10 DHCDMN Fc1cccc(CNCc2ccc(N3CCCC3)cc2)c1F ZINC001118986912 1019645932 /nfs/dbraw/zinc/64/59/32/1019645932.db2.gz ZKRXEURBDVVIGX-UHFFFAOYSA-N 0 1 302.368 3.855 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000858317481 1032845145 /nfs/dbraw/zinc/84/51/45/1032845145.db2.gz PTHNLHVWBIDTAK-CQSZACIVSA-N 0 1 301.459 3.984 20 10 DHCDMN COc1cc(Br)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000091937424 1020056680 /nfs/dbraw/zinc/05/66/80/1020056680.db2.gz MDCKIWNKUSIKQZ-AOOOYVTPSA-N 0 1 314.223 3.536 20 10 DHCDMN C[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715814267 1020172475 /nfs/dbraw/zinc/17/24/75/1020172475.db2.gz JZCLJWCLAIGMKJ-SNVBAGLBSA-N 0 1 316.214 3.916 20 10 DHCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783338 1032885295 /nfs/dbraw/zinc/88/52/95/1032885295.db2.gz OVFRWHCTESVHPG-QGZVFWFLSA-N 0 1 307.368 3.942 20 10 DHCDMN Cc1ccccc1OCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000733327905 1020374688 /nfs/dbraw/zinc/37/46/88/1020374688.db2.gz FLJSSXWCIWCDTF-UHFFFAOYSA-N 0 1 305.805 3.913 20 10 DHCDMN COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000733331625 1020376272 /nfs/dbraw/zinc/37/62/72/1020376272.db2.gz FKFZTOWCPPJGNU-CQSZACIVSA-N 0 1 319.788 3.668 20 10 DHCDMN COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2O)c(OC)c1 ZINC000179554188 1020408909 /nfs/dbraw/zinc/40/89/09/1020408909.db2.gz XGQCYWZBCHMSJG-QGZVFWFLSA-N 0 1 313.397 3.747 20 10 DHCDMN OCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCc2ccccc21 ZINC000179581462 1020411333 /nfs/dbraw/zinc/41/13/33/1020411333.db2.gz SMRSAUWKJLKGBE-LJQANCHMSA-N 0 1 311.425 3.654 20 10 DHCDMN Oc1ccccc1CN(Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000733613293 1020419208 /nfs/dbraw/zinc/41/92/08/1020419208.db2.gz JXKIHZGMAMPSFU-UHFFFAOYSA-N 0 1 313.401 3.597 20 10 DHCDMN Cc1n[nH]cc1C1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825824514 1032904729 /nfs/dbraw/zinc/90/47/29/1032904729.db2.gz LZAVYFGNUZLPKT-UHFFFAOYSA-N 0 1 319.836 3.765 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC000825843203 1032941783 /nfs/dbraw/zinc/94/17/83/1032941783.db2.gz QJJPXMQANXAFLO-UHFFFAOYSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1csc(C2(NCc3cc(C)c(C)cc3O)CCC2)n1 ZINC000742369070 1021107622 /nfs/dbraw/zinc/10/76/22/1021107622.db2.gz VPEPURUWCNSTOH-UHFFFAOYSA-N 0 1 302.443 3.943 20 10 DHCDMN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)cc1O ZINC000917697887 1021346579 /nfs/dbraw/zinc/34/65/79/1021346579.db2.gz SOUZJZYUKMQCEE-UHFFFAOYSA-N 0 1 316.788 3.898 20 10 DHCDMN Fc1cccc(CNCc2ccc3c(c2)CCO3)c1OC(F)F ZINC000850111334 1021420850 /nfs/dbraw/zinc/42/08/50/1021420850.db2.gz KIOXNXUZGFLQLZ-UHFFFAOYSA-N 0 1 323.314 3.652 20 10 DHCDMN CN(Cc1ccccc1O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174854014 1021426805 /nfs/dbraw/zinc/42/68/05/1021426805.db2.gz FXYFJWYRHJUCQL-UHFFFAOYSA-N 0 1 306.749 3.586 20 10 DHCDMN Cc1ccc(O)c(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000154721254 1021515393 /nfs/dbraw/zinc/51/53/93/1021515393.db2.gz RCFPOEHPUPTKSD-UHFFFAOYSA-N 0 1 324.380 3.597 20 10 DHCDMN COc1cccc(OC)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000850504725 1021566651 /nfs/dbraw/zinc/56/66/51/1021566651.db2.gz DDKQROYHCSOMHQ-CQSZACIVSA-N 0 1 314.429 3.621 20 10 DHCDMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000892737742 1021589118 /nfs/dbraw/zinc/58/91/18/1021589118.db2.gz JUTOXWJJZUXVBL-UHFFFAOYSA-N 0 1 318.440 3.576 20 10 DHCDMN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850535583 1021590101 /nfs/dbraw/zinc/59/01/01/1021590101.db2.gz XJQIOKUZSSPPJQ-SNVBAGLBSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(Cl)ccc1[O-] ZINC000850551417 1021599184 /nfs/dbraw/zinc/59/91/84/1021599184.db2.gz RSNALDNIIKSBGN-NSHDSACASA-N 0 1 319.836 3.897 20 10 DHCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000850573056 1021617372 /nfs/dbraw/zinc/61/73/72/1021617372.db2.gz TZWNQFLKYTVPOW-CVEARBPZSA-N 0 1 312.461 3.822 20 10 DHCDMN COC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078114 1021627514 /nfs/dbraw/zinc/62/75/14/1021627514.db2.gz OFZFRCAMFOPQQW-SNVBAGLBSA-N 0 1 304.217 3.700 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2csc(C(C)C)n2)c1 ZINC000182462527 1021666507 /nfs/dbraw/zinc/66/65/07/1021666507.db2.gz HOUXLAGAHQBNAB-NSHDSACASA-N 0 1 306.431 3.832 20 10 DHCDMN CCCC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[NH2+]1 ZINC001236141721 1021669477 /nfs/dbraw/zinc/66/94/77/1021669477.db2.gz KWQJGHFJULCNEY-LLVKDONJSA-N 0 1 317.260 3.663 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)[C@H](C)C1 ZINC001237087325 1021672498 /nfs/dbraw/zinc/67/24/98/1021672498.db2.gz VCYDDNRFBHROLJ-ZJUUUORDSA-N 0 1 304.217 3.698 20 10 DHCDMN CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000852594469 1022145338 /nfs/dbraw/zinc/14/53/38/1022145338.db2.gz NHITZRRDPPYTFC-GFCCVEGCSA-N 0 1 317.216 3.687 20 10 DHCDMN CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1nccn1C ZINC000182501410 1022289521 /nfs/dbraw/zinc/28/95/21/1022289521.db2.gz PIWHADOLULLELK-QGZVFWFLSA-N 0 1 300.450 3.507 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854226875 1022434807 /nfs/dbraw/zinc/43/48/07/1022434807.db2.gz SAPLXXPYHGINED-QLJPJBMISA-N 0 1 302.805 3.966 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2ccnc(F)c2)cc1 ZINC000859059682 1033057186 /nfs/dbraw/zinc/05/71/86/1033057186.db2.gz IMYSLOUDNDEEEI-UHFFFAOYSA-N 0 1 301.409 3.699 20 10 DHCDMN COc1ccc(O)c(CN(Cc2ccccc2F)C2CC2)c1 ZINC000179608794 1022489224 /nfs/dbraw/zinc/48/92/24/1022489224.db2.gz ZPPSYTZDABZFAV-UHFFFAOYSA-N 0 1 301.361 3.705 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000776766737 1022559054 /nfs/dbraw/zinc/55/90/54/1022559054.db2.gz NHZAYAKIEUWCNL-BETUJISGSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000776766737 1022559063 /nfs/dbraw/zinc/55/90/63/1022559063.db2.gz NHZAYAKIEUWCNL-BETUJISGSA-N 0 1 315.413 3.626 20 10 DHCDMN CC(C)N(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236471266 1022614997 /nfs/dbraw/zinc/61/49/97/1022614997.db2.gz ZPDLVEKSLVQGQF-LLVKDONJSA-N 0 1 317.260 3.661 20 10 DHCDMN Cc1cc(O)c(CN(C)Cc2ccc(Br)o2)cc1C ZINC000072040605 1022819059 /nfs/dbraw/zinc/81/90/59/1022819059.db2.gz OYAQJNYSPFLNAZ-UHFFFAOYSA-N 0 1 324.218 3.997 20 10 DHCDMN CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)c(F)c1 ZINC000068973645 1022822103 /nfs/dbraw/zinc/82/21/03/1022822103.db2.gz IVOLNMIVJFBFOE-SFHVURJKSA-N 0 1 321.367 3.616 20 10 DHCDMN COc1ccccc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000768162392 1022908267 /nfs/dbraw/zinc/90/82/67/1022908267.db2.gz FAJYIVOMYMRVNG-UHFFFAOYSA-N 0 1 302.393 3.532 20 10 DHCDMN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000857080593 1022944328 /nfs/dbraw/zinc/94/43/28/1022944328.db2.gz JESMDEOHNKSLEK-BDAKNGLRSA-N 0 1 320.177 3.851 20 10 DHCDMN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCCC1 ZINC000768442158 1022966971 /nfs/dbraw/zinc/96/69/71/1022966971.db2.gz JRYFEFUMWFKOJZ-GOSISDBHSA-N 0 1 319.445 3.610 20 10 DHCDMN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCCC1 ZINC000768442158 1022966978 /nfs/dbraw/zinc/96/69/78/1022966978.db2.gz JRYFEFUMWFKOJZ-GOSISDBHSA-N 0 1 319.445 3.610 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768469241 1022975901 /nfs/dbraw/zinc/97/59/01/1022975901.db2.gz RSLNJVJOURPBGX-UHFFFAOYSA-N 0 1 319.408 3.715 20 10 DHCDMN C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1O ZINC000310081247 1022990558 /nfs/dbraw/zinc/99/05/58/1022990558.db2.gz JLBRBZKNMDZVKV-UTKZUKDTSA-N 0 1 324.468 3.955 20 10 DHCDMN CCOc1ccc(O)c(CN2CCOc3ccccc3[C@H]2C)c1 ZINC000768930133 1023059652 /nfs/dbraw/zinc/05/96/52/1023059652.db2.gz LKIYNRXJBQINSN-CQSZACIVSA-N 0 1 313.397 3.747 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000123782916 1023069344 /nfs/dbraw/zinc/06/93/44/1023069344.db2.gz IHCTXWNNHWDUKZ-HNNXBMFYSA-N 0 1 312.196 3.522 20 10 DHCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(C)(C)O1 ZINC000769100717 1023080748 /nfs/dbraw/zinc/08/07/48/1023080748.db2.gz OWKMUBPMBFWDNT-INIZCTEOSA-N 0 1 302.462 3.676 20 10 DHCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C(C1CC1)C1CC1 ZINC000769192087 1023090642 /nfs/dbraw/zinc/09/06/42/1023090642.db2.gz CREXWIGFKSVUHV-UHFFFAOYSA-N 0 1 310.235 3.775 20 10 DHCDMN Cc1ccc(O)c(CNCc2nc3ccccc3n2C2CC2)c1 ZINC000184779367 1023115598 /nfs/dbraw/zinc/11/55/98/1023115598.db2.gz XYWDKZXWSQYZQG-UHFFFAOYSA-N 0 1 307.397 3.675 20 10 DHCDMN COc1cccc(O)c1CN1CCc2cccc(F)c2[C@H]1C ZINC000769425057 1023146909 /nfs/dbraw/zinc/14/69/09/1023146909.db2.gz OEFNSPQUYRZTDO-GFCCVEGCSA-N 0 1 301.361 3.659 20 10 DHCDMN COc1cccc(O)c1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000769531783 1023173816 /nfs/dbraw/zinc/17/38/16/1023173816.db2.gz XFXUHHINPPQDIH-UHFFFAOYSA-N 0 1 309.768 3.825 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)ccc(F)c1F ZINC000876636256 1033112534 /nfs/dbraw/zinc/11/25/34/1033112534.db2.gz DAPXICNNCFMGBK-HNNXBMFYSA-N 0 1 305.324 3.713 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC000769930963 1023251099 /nfs/dbraw/zinc/25/10/99/1023251099.db2.gz RCXFMGVATDYVCE-FZKQIMNGSA-N 0 1 318.848 3.827 20 10 DHCDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])s1 ZINC000876716379 1033127709 /nfs/dbraw/zinc/12/77/09/1033127709.db2.gz ZEJWJANXOFVPLV-VIFPVBQESA-N 0 1 312.385 3.937 20 10 DHCDMN CN(C)c1ccc(C[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000771934894 1023489932 /nfs/dbraw/zinc/48/99/32/1023489932.db2.gz GHOMIQDTPDOAPN-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000771934894 1023489934 /nfs/dbraw/zinc/48/99/34/1023489934.db2.gz GHOMIQDTPDOAPN-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(Br)cc1O ZINC000825903246 1033147833 /nfs/dbraw/zinc/14/78/33/1033147833.db2.gz ANSIISGXQAKKTQ-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@H+](Cc1ccncc1)Cc1ccc(Br)cc1[O-] ZINC000825903246 1033147836 /nfs/dbraw/zinc/14/78/36/1033147836.db2.gz ANSIISGXQAKKTQ-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(Br)cc1[O-] ZINC000825903246 1033147842 /nfs/dbraw/zinc/14/78/42/1033147842.db2.gz ANSIISGXQAKKTQ-UHFFFAOYSA-N 0 1 321.218 3.572 20 10 DHCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1[O-] ZINC000756762289 1023729074 /nfs/dbraw/zinc/72/90/74/1023729074.db2.gz XGPPRUFSFAMODA-LLVKDONJSA-N 0 1 303.789 3.927 20 10 DHCDMN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788259700 1023865598 /nfs/dbraw/zinc/86/55/98/1023865598.db2.gz OQKJXCOKLSJBIQ-WFASDCNBSA-N 0 1 321.852 3.870 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788506664 1023897685 /nfs/dbraw/zinc/89/76/85/1023897685.db2.gz XGSFVPYFMUZQOS-HNNXBMFYSA-N 0 1 301.821 3.578 20 10 DHCDMN CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000788537859 1023901760 /nfs/dbraw/zinc/90/17/60/1023901760.db2.gz KLPHOAHAWXACCL-ZWKOTPCHSA-N 0 1 319.832 3.893 20 10 DHCDMN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000788610336 1023907836 /nfs/dbraw/zinc/90/78/36/1023907836.db2.gz LINNBMZEIGNJEZ-LBPRGKRZSA-N 0 1 309.837 3.639 20 10 DHCDMN CC[C@H](NCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000268745108 1024151255 /nfs/dbraw/zinc/15/12/55/1024151255.db2.gz UUXRPIJFLBNJFU-SFHVURJKSA-N 0 1 308.429 3.641 20 10 DHCDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3CSC)c2c1 ZINC000130908957 1024227851 /nfs/dbraw/zinc/22/78/51/1024227851.db2.gz GACFDXIFQIACCN-AWEZNQCLSA-N 0 1 317.454 3.881 20 10 DHCDMN Cc1ncsc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271041939 1024448194 /nfs/dbraw/zinc/44/81/94/1024448194.db2.gz JKWUNCPVTGBXPM-UHFFFAOYSA-N 0 1 301.459 3.682 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271255089 1024478611 /nfs/dbraw/zinc/47/86/11/1024478611.db2.gz JKYFJPBRSGPZLY-BLLLJJGKSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271255089 1024478617 /nfs/dbraw/zinc/47/86/17/1024478617.db2.gz JKYFJPBRSGPZLY-BLLLJJGKSA-N 0 1 321.804 3.727 20 10 DHCDMN Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000271361122 1024495295 /nfs/dbraw/zinc/49/52/95/1024495295.db2.gz NHEOKKAHCQYVOL-PKOBYXMFSA-N 0 1 315.388 3.619 20 10 DHCDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792167407 1024640925 /nfs/dbraw/zinc/64/09/25/1024640925.db2.gz HZTRLUGSJSYCDO-LLVKDONJSA-N 0 1 323.795 3.953 20 10 DHCDMN Cc1cc(CNCc2c(C)noc2C)c(C)n1-c1ccccc1 ZINC000321026505 1024697909 /nfs/dbraw/zinc/69/79/09/1024697909.db2.gz VVEHVENCIZUJCU-UHFFFAOYSA-N 0 1 309.413 3.989 20 10 DHCDMN Cc1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792918756 1024839654 /nfs/dbraw/zinc/83/96/54/1024839654.db2.gz WOIMQOLTCJTMEC-UHFFFAOYSA-N 0 1 323.362 3.765 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C2CC2)O1 ZINC000793221218 1024936432 /nfs/dbraw/zinc/93/64/32/1024936432.db2.gz YAPNJOBTGWILSE-OXQOHEQNSA-N 0 1 314.473 3.676 20 10 DHCDMN CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1 ZINC000793230088 1024945719 /nfs/dbraw/zinc/94/57/19/1024945719.db2.gz DXPOFWQOCXJKTC-ZWNOBZJWSA-N 0 1 303.324 3.564 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000793232242 1024947551 /nfs/dbraw/zinc/94/75/51/1024947551.db2.gz VCQLPZHHYAVSQO-APPZFPTMSA-N 0 1 311.706 3.957 20 10 DHCDMN COc1ncc([C@H](C)NCc2ccc3c(c2)CCO3)cc1Cl ZINC000793525239 1025075098 /nfs/dbraw/zinc/07/50/98/1025075098.db2.gz KCLAAMKAKLIXEC-NSHDSACASA-N 0 1 318.804 3.529 20 10 DHCDMN CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000793567445 1025104281 /nfs/dbraw/zinc/10/42/81/1025104281.db2.gz XRJSHORMVAZALW-HNNXBMFYSA-N 0 1 319.836 3.819 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1Cl ZINC000825944094 1033268804 /nfs/dbraw/zinc/26/88/04/1033268804.db2.gz PTUGXVYXMKRPPP-PIGZYNQJSA-N 0 1 303.789 3.966 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1Cl ZINC000825955175 1033283069 /nfs/dbraw/zinc/28/30/69/1033283069.db2.gz HNGMHTKYQBWRSF-KGLIPLIRSA-N 0 1 301.764 3.831 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1Cl ZINC000825955175 1033283072 /nfs/dbraw/zinc/28/30/72/1033283072.db2.gz HNGMHTKYQBWRSF-KGLIPLIRSA-N 0 1 301.764 3.831 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187831317 1025472129 /nfs/dbraw/zinc/47/21/29/1025472129.db2.gz PRWGOIHYRDLQNF-AOMKIAJQSA-N 0 1 324.534 3.512 20 10 DHCDMN C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000805183097 1025548858 /nfs/dbraw/zinc/54/88/58/1025548858.db2.gz CBQVNPYQBKMDOV-MRVPVSSYSA-N 0 1 317.216 3.544 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1[O-] ZINC000886926495 1025985136 /nfs/dbraw/zinc/98/51/36/1025985136.db2.gz PUIPDJQXCXTIQA-QGZVFWFLSA-N 0 1 317.335 3.650 20 10 DHCDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000089512277 1026052389 /nfs/dbraw/zinc/05/23/89/1026052389.db2.gz GBVBCEXYTGCKEH-KRWDZBQOSA-N 0 1 313.401 3.902 20 10 DHCDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000089512278 1026053037 /nfs/dbraw/zinc/05/30/37/1026053037.db2.gz GBVBCEXYTGCKEH-QGZVFWFLSA-N 0 1 313.401 3.902 20 10 DHCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000807836591 1026128578 /nfs/dbraw/zinc/12/85/78/1026128578.db2.gz GTCBZYDJWIPMSX-RXMQYKEDSA-N 0 1 316.106 3.514 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC=CCC1 ZINC000807836669 1026129316 /nfs/dbraw/zinc/12/93/16/1026129316.db2.gz JQCRSYZBKSONNX-SECBINFHSA-N 0 1 300.185 3.672 20 10 DHCDMN CSc1cnc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808090262 1026202519 /nfs/dbraw/zinc/20/25/19/1026202519.db2.gz WIDQEEYIIVOBGH-UHFFFAOYSA-N 0 1 316.213 3.823 20 10 DHCDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000808444613 1026288402 /nfs/dbraw/zinc/28/84/02/1026288402.db2.gz PDNSPWNRRDHYLP-KZULUSFZSA-N 0 1 300.377 3.504 20 10 DHCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700204 1026586565 /nfs/dbraw/zinc/58/65/65/1026586565.db2.gz ACNVTONEKXUGKH-VXGBXAGGSA-N 0 1 315.816 3.700 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758176 1026617482 /nfs/dbraw/zinc/61/74/82/1026617482.db2.gz FQUFZDJKFJHNDP-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[C@@H](N[C@@H](C)c1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000280233231 1026617597 /nfs/dbraw/zinc/61/75/97/1026617597.db2.gz VJKQBTDPXAJNEY-GXTWGEPZSA-N 0 1 302.422 3.744 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758176 1026617492 /nfs/dbraw/zinc/61/74/92/1026617492.db2.gz FQUFZDJKFJHNDP-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[C@@H]([NH2+]CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215090 1026708142 /nfs/dbraw/zinc/70/81/42/1026708142.db2.gz QLFBQBJNGNCUMZ-CQSZACIVSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237632 1026726058 /nfs/dbraw/zinc/72/60/58/1026726058.db2.gz DEMLQIPKZMEHBU-GFCCVEGCSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H](NCc1csc(COC)n1)c1ccc(C)cc1O ZINC000810252432 1026729493 /nfs/dbraw/zinc/72/94/93/1026729493.db2.gz DNAWEYYLYAIQEX-AWEZNQCLSA-N 0 1 306.431 3.544 20 10 DHCDMN O=C(/C=C/c1ccco1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683475 1027695499 /nfs/dbraw/zinc/69/54/99/1027695499.db2.gz QDJNWYIWFGUOFE-ONEGZZNKSA-N 0 1 312.152 3.622 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000813876929 1027748441 /nfs/dbraw/zinc/74/84/41/1027748441.db2.gz DTNNKOZACMZYLR-IINYFYTJSA-N 0 1 319.276 3.937 20 10 DHCDMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)c1 ZINC000779000078 1027756464 /nfs/dbraw/zinc/75/64/64/1027756464.db2.gz PCXNJHBJIBGIEK-KRWDZBQOSA-N 0 1 315.388 3.747 20 10 DHCDMN CC[C@H]1CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814179007 1027913689 /nfs/dbraw/zinc/91/36/89/1027913689.db2.gz MRRUWAJXIRDLOE-HNNXBMFYSA-N 0 1 303.406 3.569 20 10 DHCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365509494 1027957838 /nfs/dbraw/zinc/95/78/38/1027957838.db2.gz QJKRWEJDFVNQER-KFKAGJAMSA-N 0 1 311.425 3.791 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365509494 1027957847 /nfs/dbraw/zinc/95/78/47/1027957847.db2.gz QJKRWEJDFVNQER-KFKAGJAMSA-N 0 1 311.425 3.791 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccnc2cccnc21 ZINC000814893464 1028266375 /nfs/dbraw/zinc/26/63/75/1028266375.db2.gz SJGLFSUEAFFSRP-UHFFFAOYSA-N 0 1 320.179 3.676 20 10 DHCDMN CCOc1cccc(CN[C@H]2COc3cccc(Cl)c32)c1O ZINC000367961592 1028266919 /nfs/dbraw/zinc/26/69/19/1028266919.db2.gz HREDVVXYVGFBKT-ZDUSSCGKSA-N 0 1 319.788 3.668 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000368370189 1028345863 /nfs/dbraw/zinc/34/58/63/1028345863.db2.gz NPZLNDAGYSHHDP-HWPZZCPQSA-N 0 1 323.845 3.899 20 10 DHCDMN CN1CCCc2cc(CNCc3cccc(O)c3Cl)ccc21 ZINC000815121493 1028367243 /nfs/dbraw/zinc/36/72/43/1028367243.db2.gz CEYSOTUDGCEBQO-UHFFFAOYSA-N 0 1 316.832 3.718 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cc(Cl)ccc1[O-] ZINC000815643101 1028588987 /nfs/dbraw/zinc/58/89/87/1028588987.db2.gz UBRIETQJVUWASB-IINYFYTJSA-N 0 1 306.793 3.948 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H]2COc3c2cccc3Cl)c1 ZINC000370464900 1028605350 /nfs/dbraw/zinc/60/53/50/1028605350.db2.gz PKOFGVWVVSUJGJ-OAHLLOKOSA-N 0 1 319.788 3.668 20 10 DHCDMN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000372597051 1028873483 /nfs/dbraw/zinc/87/34/83/1028873483.db2.gz WOBCUEVFFHHXHI-GDBMZVCRSA-N 0 1 318.442 3.682 20 10 DHCDMN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000372597053 1028875629 /nfs/dbraw/zinc/87/56/29/1028875629.db2.gz WOBCUEVFFHHXHI-HOCLYGCPSA-N 0 1 318.442 3.682 20 10 DHCDMN Cc1noc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000816491529 1028898923 /nfs/dbraw/zinc/89/89/23/1028898923.db2.gz PDGZPJFROQWRBB-MRXNPFEDSA-N 0 1 323.396 3.616 20 10 DHCDMN Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000816491529 1028898933 /nfs/dbraw/zinc/89/89/33/1028898933.db2.gz PDGZPJFROQWRBB-MRXNPFEDSA-N 0 1 323.396 3.616 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516531 1028918807 /nfs/dbraw/zinc/91/88/07/1028918807.db2.gz IQFPDLXOTFKEDW-KRWDZBQOSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc2ccccc21 ZINC000816516531 1028918824 /nfs/dbraw/zinc/91/88/24/1028918824.db2.gz IQFPDLXOTFKEDW-KRWDZBQOSA-N 0 1 311.425 3.794 20 10 DHCDMN COc1ccc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816529888 1028924737 /nfs/dbraw/zinc/92/47/37/1028924737.db2.gz LJVDKBSIEHDBPL-UHFFFAOYSA-N 0 1 307.393 3.886 20 10 DHCDMN [O-]c1c(C[NH2+]CCn2cnc3ccccc32)ccc2ccccc21 ZINC000816541569 1028926082 /nfs/dbraw/zinc/92/60/82/1028926082.db2.gz PMIIFPDUMMVMFC-UHFFFAOYSA-N 0 1 317.392 3.685 20 10 DHCDMN Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816593183 1028938793 /nfs/dbraw/zinc/93/87/93/1028938793.db2.gz HWEFEYGYTJKTLT-KRWDZBQOSA-N 0 1 321.424 3.659 20 10 DHCDMN Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816593183 1028938807 /nfs/dbraw/zinc/93/88/07/1028938807.db2.gz HWEFEYGYTJKTLT-KRWDZBQOSA-N 0 1 321.424 3.659 20 10 DHCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccsc1 ZINC000816552793 1028941417 /nfs/dbraw/zinc/94/14/17/1028941417.db2.gz XFLNDNMRFUNUNQ-SFHVURJKSA-N 0 1 313.422 3.604 20 10 DHCDMN CCC(CC)(CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554429 1028942428 /nfs/dbraw/zinc/94/24/28/1028942428.db2.gz YFMKCMCBRAQENA-UHFFFAOYSA-N 0 1 301.430 3.824 20 10 DHCDMN CCO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C12CCC2 ZINC000816551750 1028943189 /nfs/dbraw/zinc/94/31/89/1028943189.db2.gz NVAQXCIIVPEQSB-ROUUACIJSA-N 0 1 311.425 3.983 20 10 DHCDMN Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560600 1028945191 /nfs/dbraw/zinc/94/51/91/1028945191.db2.gz UCRQEYPDQZKQTC-UHFFFAOYSA-N 0 1 323.440 3.618 20 10 DHCDMN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559263 1028945980 /nfs/dbraw/zinc/94/59/80/1028945980.db2.gz CSBHSAWMQNWVLS-GUYCJALGSA-N 0 1 311.381 3.740 20 10 DHCDMN CCc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816608167 1028961560 /nfs/dbraw/zinc/96/15/60/1028961560.db2.gz QZZZNHMPPIJFAR-FQEVSTJZSA-N 0 1 321.420 3.931 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccncc1Cl ZINC000817573615 1029202202 /nfs/dbraw/zinc/20/22/02/1029202202.db2.gz GHOXHBHQPIYRSC-LLVKDONJSA-N 0 1 307.800 3.791 20 10 DHCDMN CCOc1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)c(O)c1 ZINC000818230676 1029358410 /nfs/dbraw/zinc/35/84/10/1029358410.db2.gz RIDAZXUTLCRNCA-ROUUACIJSA-N 0 1 301.361 3.518 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c(Cl)c1 ZINC000865783278 1030023028 /nfs/dbraw/zinc/02/30/28/1030023028.db2.gz LAJZPGCDGHOFJH-KBPBESRZSA-N 0 1 309.837 3.506 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000924648259 1030150070 /nfs/dbraw/zinc/15/00/70/1030150070.db2.gz LNORIDILLSWGBZ-INIZCTEOSA-N 0 1 324.472 3.670 20 10 DHCDMN CCCN(Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC000823423425 1030298545 /nfs/dbraw/zinc/29/85/45/1030298545.db2.gz IUIKHRKBMSWOPV-UHFFFAOYSA-N 0 1 308.784 3.992 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1[O-] ZINC000866478790 1030313635 /nfs/dbraw/zinc/31/36/35/1030313635.db2.gz LCKOZKMMVSEOFT-GFCCVEGCSA-N 0 1 317.816 3.969 20 10 DHCDMN C[C@H](NCc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866512644 1030338455 /nfs/dbraw/zinc/33/84/55/1030338455.db2.gz BIQUHWZYRDIOGO-LBPRGKRZSA-N 0 1 313.376 3.884 20 10 DHCDMN CC[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866568404 1030381306 /nfs/dbraw/zinc/38/13/06/1030381306.db2.gz ZKHQXSOUTZJQAO-OAHLLOKOSA-N 0 1 322.403 3.665 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc2ccccc2c1[O-] ZINC000866632832 1030413796 /nfs/dbraw/zinc/41/37/96/1030413796.db2.gz CFIWNQKUDNLJGE-GUYCJALGSA-N 0 1 307.397 3.928 20 10 DHCDMN Cc1occc1C[N@H+](C)Cc1ccc(Br)cc1O ZINC000824610929 1030593418 /nfs/dbraw/zinc/59/34/18/1030593418.db2.gz SUHRDBFBKSNVPL-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN Cc1occc1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824610929 1030593430 /nfs/dbraw/zinc/59/34/30/1030593430.db2.gz SUHRDBFBKSNVPL-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN Cc1occc1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824610929 1030593440 /nfs/dbraw/zinc/59/34/40/1030593440.db2.gz SUHRDBFBKSNVPL-UHFFFAOYSA-N 0 1 310.191 3.688 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696794 1030605081 /nfs/dbraw/zinc/60/50/81/1030605081.db2.gz SXPOQYVLIPQFQF-FVQBIDKESA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696793 1030605398 /nfs/dbraw/zinc/60/53/98/1030605398.db2.gz SXPOQYVLIPQFQF-BMFZPTHFSA-N 0 1 309.837 3.561 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000824815794 1030647584 /nfs/dbraw/zinc/64/75/84/1030647584.db2.gz ZSIHSKWVLDDYAZ-ZANVPECISA-N 0 1 304.217 3.556 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905908 1030664314 /nfs/dbraw/zinc/66/43/14/1030664314.db2.gz IKBOHXPNTIOSNZ-HNNXBMFYSA-N 0 1 319.836 3.597 20 10 DHCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000824905908 1030664318 /nfs/dbraw/zinc/66/43/18/1030664318.db2.gz IKBOHXPNTIOSNZ-HNNXBMFYSA-N 0 1 319.836 3.597 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1Cl ZINC000825089769 1030722874 /nfs/dbraw/zinc/72/28/74/1030722874.db2.gz JAHUVPLBPDTAPE-LLVKDONJSA-N 0 1 319.788 3.934 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)cc1Cl ZINC000825332190 1030776966 /nfs/dbraw/zinc/77/69/66/1030776966.db2.gz XLQRTLHJQUTYGV-APPDUMDISA-N 0 1 323.795 3.705 20 10 DHCDMN Cc1cc(O)c(CNCc2ccn(C3CCCC3)n2)cc1Cl ZINC000825359352 1030786859 /nfs/dbraw/zinc/78/68/59/1030786859.db2.gz ZCAQXIFNCSYLBB-UHFFFAOYSA-N 0 1 319.836 3.955 20 10 DHCDMN CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825378852 1030792534 /nfs/dbraw/zinc/79/25/34/1030792534.db2.gz IFCSLZXTFYMUNW-UHFFFAOYSA-N 0 1 321.852 3.502 20 10 DHCDMN COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825489246 1030823947 /nfs/dbraw/zinc/82/39/47/1030823947.db2.gz GHKSACLUWSLIGP-AWEZNQCLSA-N 0 1 323.820 3.684 20 10 DHCDMN C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926965468 1031019206 /nfs/dbraw/zinc/01/92/06/1031019206.db2.gz WDCQFGHOYWAEST-NOZJJQNGSA-N 0 1 324.774 3.579 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c2c1c(F)ccc2[O-] ZINC000927070275 1031069891 /nfs/dbraw/zinc/06/98/91/1031069891.db2.gz RGVQNEYJZAEIAP-UTKHUVCWSA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(Cl)cc1[O-] ZINC000927089928 1031081103 /nfs/dbraw/zinc/08/11/03/1031081103.db2.gz JHINOIFBWWHASM-LLVKDONJSA-N 0 1 303.789 3.831 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1C[C@H]3[C@@H](C1)C3(F)F)oc1ccccc12 ZINC000844753343 1031312188 /nfs/dbraw/zinc/31/21/88/1031312188.db2.gz VOTBODIYTQEUSZ-OKILXGFUSA-N 0 1 315.319 3.989 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1C[C@H]3[C@@H](C1)C3(F)F)oc1ccccc12 ZINC000844753343 1031312203 /nfs/dbraw/zinc/31/22/03/1031312203.db2.gz VOTBODIYTQEUSZ-OKILXGFUSA-N 0 1 315.319 3.989 20 10 DHCDMN CCCOc1ccc(CNCc2ccc(OC)c(O)c2)cc1C ZINC000873034976 1031696395 /nfs/dbraw/zinc/69/63/95/1031696395.db2.gz AWVRTZOTPOHWTP-UHFFFAOYSA-N 0 1 315.413 3.788 20 10 DHCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000845973269 1031789003 /nfs/dbraw/zinc/78/90/03/1031789003.db2.gz XAIJSAGFMRBMPE-JTQLQIEISA-N 0 1 307.777 3.611 20 10 DHCDMN Cc1cccc(CN[C@@H](Cc2ccccc2)c2nccn2C)c1O ZINC000846058535 1031817835 /nfs/dbraw/zinc/81/78/35/1031817835.db2.gz QDRDEUZTINRNFT-SFHVURJKSA-N 0 1 321.424 3.508 20 10 DHCDMN COc1cccc([C@@H](C)N[C@@H]2COc3ccc(Cl)cc32)c1O ZINC000846154721 1031884687 /nfs/dbraw/zinc/88/46/87/1031884687.db2.gz RLWLXFKDALVUJU-QMTHXVAHSA-N 0 1 319.788 3.839 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1C1CCC1 ZINC000846159485 1031890774 /nfs/dbraw/zinc/89/07/74/1031890774.db2.gz GNADBCMWKMWVPS-NWDGAFQWSA-N 0 1 314.212 3.751 20 10 DHCDMN COc1cccc([C@H](C)N[C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000846171102 1031898521 /nfs/dbraw/zinc/89/85/21/1031898521.db2.gz DBKHPVXVJAQMRY-ULFGMLNVSA-N 0 1 301.361 3.689 20 10 DHCDMN COc1cccc([C@H](C)N[C@H](C)c2c(F)cccc2OC)c1O ZINC000846144522 1031907973 /nfs/dbraw/zinc/90/79/73/1031907973.db2.gz HKRZQEOHGWTSPC-NWDGAFQWSA-N 0 1 319.376 3.960 20 10 DHCDMN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1F ZINC000846182412 1031916131 /nfs/dbraw/zinc/91/61/31/1031916131.db2.gz JPWHSYRWZFOIKG-PSVSLLHZSA-N 0 1 323.795 3.957 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000846187092 1031918821 /nfs/dbraw/zinc/91/88/21/1031918821.db2.gz IEZQUWQOJSPUFA-VZMUKZCBSA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877823519 1033473925 /nfs/dbraw/zinc/47/39/25/1033473925.db2.gz MCKZFXXIVOMUBJ-NOZJJQNGSA-N 0 1 323.742 3.587 20 10 DHCDMN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)cc(Cl)c1O)N2 ZINC000877863299 1033493904 /nfs/dbraw/zinc/49/39/04/1033493904.db2.gz GURHWGSDXRFDAP-AWEZNQCLSA-N 0 1 323.179 3.862 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC(F)(F)CC2)c1[O-] ZINC000862465981 1033862704 /nfs/dbraw/zinc/86/27/04/1033862704.db2.gz AONGBVPXGJUDKN-UHFFFAOYSA-N 0 1 320.723 3.575 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483738 1033867462 /nfs/dbraw/zinc/86/74/62/1033867462.db2.gz XZBCGPFQBBXZJU-SFHVURJKSA-N 0 1 317.816 3.529 20 10 DHCDMN CCn1nc(C)c(CN(C)Cc2ccc(N(C)C)c(C)c2)c1C ZINC000879118620 1033928488 /nfs/dbraw/zinc/92/84/88/1033928488.db2.gz HXMPYNCBVMHOAU-UHFFFAOYSA-N 0 1 314.477 3.526 20 10 DHCDMN Cc1n[nH]cc1CN(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000879188928 1033946928 /nfs/dbraw/zinc/94/69/28/1033946928.db2.gz SYJIFOKIXGYPON-UHFFFAOYSA-N 0 1 312.461 3.649 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnc(C)s2)c1[O-] ZINC000879251058 1033964444 /nfs/dbraw/zinc/96/44/44/1033964444.db2.gz CJIXWFQXTJZXTF-QMMMGPOBSA-N 0 1 324.833 3.864 20 10 DHCDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])CC1(C)COC1 ZINC000863299742 1034060046 /nfs/dbraw/zinc/06/00/46/1034060046.db2.gz SSIKOTFUHQQDQY-UHFFFAOYSA-N 0 1 311.381 3.760 20 10 DHCDMN CCc1onc(C)c1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000927139643 1034151663 /nfs/dbraw/zinc/15/16/63/1034151663.db2.gz MYXLUARVDXFYIH-QGZVFWFLSA-N 0 1 301.434 3.852 20 10 DHCDMN CC[C@H](NCc1cn2c(cccc2C)n1)c1ccc(N(C)C)cc1 ZINC000178059168 1034206122 /nfs/dbraw/zinc/20/61/22/1034206122.db2.gz PNVMUHBZKWJSKI-IBGZPJMESA-N 0 1 322.456 3.950 20 10 DHCDMN Oc1c(CNc2ccccc2OC(F)F)ccc(F)c1F ZINC000864039234 1034270423 /nfs/dbraw/zinc/27/04/23/1034270423.db2.gz RGXWCJCRFAMQCK-UHFFFAOYSA-N 0 1 301.239 3.884 20 10 DHCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000183727069 1034413475 /nfs/dbraw/zinc/41/34/75/1034413475.db2.gz KBZUQMHNPYXRQP-SNVBAGLBSA-N 0 1 321.764 3.542 20 10 DHCDMN CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000185059981 1034525387 /nfs/dbraw/zinc/52/53/87/1034525387.db2.gz FUKVYYGBNQWMTE-WDEREUQCSA-N 0 1 317.260 3.691 20 10 DHCDMN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185453876 1034548073 /nfs/dbraw/zinc/54/80/73/1034548073.db2.gz CAJHFNCYZBIDKX-PXAZEXFGSA-N 0 1 305.805 3.604 20 10 DHCDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000186355272 1034624317 /nfs/dbraw/zinc/62/43/17/1034624317.db2.gz PLYMYSPTHOBIDY-DTJGQCLQSA-N 0 1 305.393 3.530 20 10 DHCDMN COc1cc2c(cc1F)C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000777440621 1034741063 /nfs/dbraw/zinc/74/10/63/1034741063.db2.gz NNEFUBHPYUONAY-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN COc1cc2c(cc1F)C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000777440621 1034741074 /nfs/dbraw/zinc/74/10/74/1034741074.db2.gz NNEFUBHPYUONAY-UHFFFAOYSA-N 0 1 321.779 3.752 20 10 DHCDMN CC(C)([NH3+])c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000904475123 1035418748 /nfs/dbraw/zinc/41/87/48/1035418748.db2.gz ISCIRIYVMQMSQO-UHFFFAOYSA-N 0 1 308.784 3.991 20 10 DHCDMN Oc1c(F)cc(F)cc1CNCC(F)(F)c1ccc(F)cc1 ZINC001179248373 1035471371 /nfs/dbraw/zinc/47/13/71/1035471371.db2.gz QMJFQHOALCDLNZ-UHFFFAOYSA-N 0 1 317.257 3.691 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1noc2ccccc12 ZINC001179571133 1035483516 /nfs/dbraw/zinc/48/35/16/1035483516.db2.gz ZHYDDSGZRPQIBT-UHFFFAOYSA-N 0 1 305.381 3.918 20 10 DHCDMN Cc1ccc(CN(C)C(=O)c2cc(O)c(O)c(Cl)c2)cc1C ZINC001193612183 1035677269 /nfs/dbraw/zinc/67/72/69/1035677269.db2.gz NBFJARLLOLUAAM-UHFFFAOYSA-N 0 1 319.788 3.640 20 10 DHCDMN Oc1c(F)cc(F)cc1CN1Cc2ccccc2C(F)(F)C1 ZINC001204279025 1035740639 /nfs/dbraw/zinc/74/06/39/1035740639.db2.gz KIFQMNQDDUTPBX-UHFFFAOYSA-N 0 1 311.278 3.778 20 10 DHCDMN [O-]c1c(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)ccc(F)c1F ZINC001181485713 1035929242 /nfs/dbraw/zinc/92/92/42/1035929242.db2.gz IVGAWWVTCXYKQP-UHFFFAOYSA-N 0 1 319.351 3.788 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775658754 1036268229 /nfs/dbraw/zinc/26/82/29/1036268229.db2.gz PZXLBKVNTOTDCG-IJEWVQPXSA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000774381551 1036305659 /nfs/dbraw/zinc/30/56/59/1036305659.db2.gz YSWHKFMQDZCFEE-IUODEOHRSA-N 0 1 308.853 3.713 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000774400042 1036319562 /nfs/dbraw/zinc/31/95/62/1036319562.db2.gz RJYRTRAMICUEFE-WBVHZDCISA-N 0 1 323.795 3.959 20 10 DHCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1[O-] ZINC001195825263 1036362368 /nfs/dbraw/zinc/36/23/68/1036362368.db2.gz FERBSCJUMGNIAD-QGZVFWFLSA-N 0 1 305.393 3.889 20 10 DHCDMN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000775681164 1036411308 /nfs/dbraw/zinc/41/13/08/1036411308.db2.gz NCDSPBOMVIESTJ-CQSZACIVSA-N 0 1 315.816 3.966 20 10 DHCDMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000775703734 1036485054 /nfs/dbraw/zinc/48/50/54/1036485054.db2.gz WEIPIXREOVKFHD-KRWDZBQOSA-N 0 1 317.816 3.928 20 10 DHCDMN CC(C)c1ccc(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001182968714 1036491057 /nfs/dbraw/zinc/49/10/57/1036491057.db2.gz DWPXPQLQMHVDQX-YVEFUNNKSA-N 0 1 313.388 3.760 20 10 DHCDMN Cc1cccc2c1C[N@H+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000762086934 1036516722 /nfs/dbraw/zinc/51/67/22/1036516722.db2.gz KILWGJHXUYMKAL-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN Cc1cccc2c1C[N@@H+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000762086934 1036516733 /nfs/dbraw/zinc/51/67/33/1036516733.db2.gz KILWGJHXUYMKAL-UHFFFAOYSA-N 0 1 304.393 3.807 20 10 DHCDMN Cc1cc(Cl)cc(CN(C)Cc2cc(Cl)cn2C)c1O ZINC000775736958 1036585991 /nfs/dbraw/zinc/58/59/91/1036585991.db2.gz IDNYHZQCRZGXOS-UHFFFAOYSA-N 0 1 313.228 3.978 20 10 DHCDMN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775838654 1036994295 /nfs/dbraw/zinc/99/42/95/1036994295.db2.gz ZRBJQIYTMSSTSC-LBPRGKRZSA-N 0 1 317.364 3.651 20 10 DHCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774904878 1037194869 /nfs/dbraw/zinc/19/48/69/1037194869.db2.gz WVLWNEMOJRRSFL-ZDUSSCGKSA-N 0 1 322.405 3.567 20 10 DHCDMN C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000776005982 1037303432 /nfs/dbraw/zinc/30/34/32/1037303432.db2.gz FRULDVLEYJOUQS-KBPBESRZSA-N 0 1 310.869 3.503 20 10 DHCDMN O=S(=O)(Nc1ccc(O)c(F)c1)c1csc2ccccc21 ZINC001186493176 1037420681 /nfs/dbraw/zinc/42/06/81/1037420681.db2.gz AGVOPMHQKHKZLL-UHFFFAOYSA-N 0 1 323.370 3.547 20 10 DHCDMN COc1cccc(CC[N@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203664171 1037646399 /nfs/dbraw/zinc/64/63/99/1037646399.db2.gz PQCIALQFHPYXAT-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN COc1cccc(CC[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203664171 1037646408 /nfs/dbraw/zinc/64/64/08/1037646408.db2.gz PQCIALQFHPYXAT-UHFFFAOYSA-N 0 1 305.805 3.729 20 10 DHCDMN CCOc1cccc(CN(C)Cc2cc(C)ccc2F)c1O ZINC000775168696 1037913737 /nfs/dbraw/zinc/91/37/37/1037913737.db2.gz QPNBTCYOYLUEEC-UHFFFAOYSA-N 0 1 303.377 3.870 20 10 DHCDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000775362606 1038275107 /nfs/dbraw/zinc/27/51/07/1038275107.db2.gz IPUIWXMNHPYRJI-LBPRGKRZSA-N 0 1 317.364 3.651 20 10 DHCDMN CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000775482878 1038549500 /nfs/dbraw/zinc/54/95/00/1038549500.db2.gz FIHOUVAVJAFEKZ-MRXNPFEDSA-N 0 1 321.852 3.990 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775496198 1038573003 /nfs/dbraw/zinc/57/30/03/1038573003.db2.gz GOVFUTLHVIGEDD-NHYWBVRUSA-N 0 1 305.809 3.508 20 10 DHCDMN CC[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775498052 1038581148 /nfs/dbraw/zinc/58/11/48/1038581148.db2.gz WSMVOOCABLVEHT-LLVKDONJSA-N 0 1 311.731 3.665 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775514015 1038608236 /nfs/dbraw/zinc/60/82/36/1038608236.db2.gz QRSOAODLOFPIOV-CVEARBPZSA-N 0 1 305.805 3.820 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000775514407 1038609885 /nfs/dbraw/zinc/60/98/85/1038609885.db2.gz ZVQCKIXQOFRKHY-AAEUAGOBSA-N 0 1 317.907 3.935 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000775514408 1038611313 /nfs/dbraw/zinc/61/13/13/1038611313.db2.gz ZVQCKIXQOFRKHY-DGCLKSJQSA-N 0 1 317.907 3.935 20 10 DHCDMN CC[C@H]([NH2+]CCOc1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000775521989 1038624307 /nfs/dbraw/zinc/62/43/07/1038624307.db2.gz GVCHHDDLOHFAQR-AWEZNQCLSA-N 0 1 324.783 3.699 20 10 DHCDMN C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000760897430 1039037758 /nfs/dbraw/zinc/03/77/58/1039037758.db2.gz LTGKFBXCLDFVRZ-LLVKDONJSA-N 0 1 315.804 3.783 20 10 DHCDMN CCSCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000231395705 1040229322 /nfs/dbraw/zinc/22/93/22/1040229322.db2.gz GFMXKDXZCICXHP-SNVBAGLBSA-N 0 1 318.280 3.776 20 10 DHCDMN CN(C)c1ccc(CNCc2ccccc2Br)cc1 ZINC000020146123 182192575 /nfs/dbraw/zinc/19/25/75/182192575.db2.gz DDNWDRYRAHRZFH-UHFFFAOYSA-N 0 1 319.246 3.805 20 10 DHCDMN COCC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000272132262 130002630 /nfs/dbraw/zinc/00/26/30/130002630.db2.gz ARIKTJDWTSJYIQ-MRXNPFEDSA-N 0 1 320.408 3.661 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000273621537 130145003 /nfs/dbraw/zinc/14/50/03/130145003.db2.gz ZFAIVLGIQRLRRH-MWLCHTKSSA-N 0 1 316.264 3.701 20 10 DHCDMN COC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000288705784 131336095 /nfs/dbraw/zinc/33/60/95/131336095.db2.gz YWFCZNLXJPVKJB-QGZVFWFLSA-N 0 1 317.816 3.752 20 10 DHCDMN CCOc1cccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294031542 335116962 /nfs/dbraw/zinc/11/69/62/335116962.db2.gz VQURTXYLTXLISG-SFHVURJKSA-N 0 1 312.413 3.769 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000179688575 333154401 /nfs/dbraw/zinc/15/44/01/333154401.db2.gz DGEUFQQOBMUMOC-SFHVURJKSA-N 0 1 313.372 3.975 20 10 DHCDMN COC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000185630128 333210823 /nfs/dbraw/zinc/21/08/23/333210823.db2.gz DOFMKLNRCAKQAI-SMDDNHRTSA-N 0 1 309.793 3.985 20 10 DHCDMN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000124046490 333485553 /nfs/dbraw/zinc/48/55/53/333485553.db2.gz OBCVFZSXBFMXJY-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H]2COc3cccc(F)c32)c(O)c1C ZINC000368235395 336840986 /nfs/dbraw/zinc/84/09/86/336840986.db2.gz OSXKGUOMJPTOMD-DOMZBBRYSA-N 0 1 301.361 3.932 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1F ZINC000372875906 336941552 /nfs/dbraw/zinc/94/15/52/336941552.db2.gz GEYNACLDMXIGFX-MRXNPFEDSA-N 0 1 318.367 3.644 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000373370266 336958207 /nfs/dbraw/zinc/95/82/07/336958207.db2.gz POWKBAYIPGBFCF-IAGOWNOFSA-N 0 1 309.837 3.649 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000377694277 337058780 /nfs/dbraw/zinc/05/87/80/337058780.db2.gz IFDVXLDHLNSBMU-LORHWOILSA-N 0 1 319.445 3.502 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377836052 337062165 /nfs/dbraw/zinc/06/21/65/337062165.db2.gz YMHQJHJISJEGDS-ZIAGYGMSSA-N 0 1 309.837 3.684 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@@H]2COc3cccc(Cl)c32)c1 ZINC000377883747 337063369 /nfs/dbraw/zinc/06/33/69/337063369.db2.gz KVWYFUPPTQLBCI-QMTHXVAHSA-N 0 1 319.788 3.839 20 10 DHCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000194172487 337082317 /nfs/dbraw/zinc/08/23/17/337082317.db2.gz JJYUINONMFGXPH-KGLIPLIRSA-N 0 1 314.429 3.501 20 10 DHCDMN Oc1ccccc1CN[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000360019777 337083777 /nfs/dbraw/zinc/08/37/77/337083777.db2.gz JJOMFVRVLVUZCI-GFCCVEGCSA-N 0 1 310.180 3.922 20 10 DHCDMN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000185122321 337203199 /nfs/dbraw/zinc/20/31/99/337203199.db2.gz FPOQNONDJVNYHX-QTJFZDIUSA-N 0 1 319.404 3.854 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683857 337250020 /nfs/dbraw/zinc/25/00/20/337250020.db2.gz WBFLEKWBIWEHGF-HIFRSBDPSA-N 0 1 314.433 3.601 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185683838 337250039 /nfs/dbraw/zinc/25/00/39/337250039.db2.gz WBFLEKWBIWEHGF-DZGCQCFKSA-N 0 1 314.433 3.601 20 10 DHCDMN Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000188877888 337275859 /nfs/dbraw/zinc/27/58/59/337275859.db2.gz QLYJMFXCVLFUQM-OAHLLOKOSA-N 0 1 303.789 3.967 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2cc(F)ccc2O)o1 ZINC000185548842 524031836 /nfs/dbraw/zinc/03/18/36/524031836.db2.gz WMCKMBWKRMROBE-IAQYHMDHSA-N 0 1 307.365 3.725 20 10 DHCDMN Cc1cc(O)c(CN2CCO[C@@H](c3cccs3)C2)cc1C ZINC000128445690 525320837 /nfs/dbraw/zinc/32/08/37/525320837.db2.gz CQSCORPXTWXLNO-MRXNPFEDSA-N 0 1 303.427 3.644 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212363 525744255 /nfs/dbraw/zinc/74/42/55/525744255.db2.gz NAIQTOMNGVFCIQ-QMTHXVAHSA-N 0 1 305.324 3.763 20 10 DHCDMN Cc1ccc([C@H]2COCCN2Cc2cccc(Cl)c2O)o1 ZINC000180290305 526030079 /nfs/dbraw/zinc/03/00/79/526030079.db2.gz DCHOHMHRIBGSER-CQSZACIVSA-N 0 1 307.777 3.521 20 10 DHCDMN Cc1ccc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000268859818 526249050 /nfs/dbraw/zinc/24/90/50/526249050.db2.gz JFZZXAMKYLXSGR-HNNXBMFYSA-N 0 1 308.429 3.560 20 10 DHCDMN Oc1ccc(Br)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000127478518 526342465 /nfs/dbraw/zinc/34/24/65/526342465.db2.gz WYLKWZUBPGNXDQ-CQSZACIVSA-N 0 1 321.218 3.820 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000124380602 527543664 /nfs/dbraw/zinc/54/36/64/527543664.db2.gz GJOVJODSSLVEBN-MRXNPFEDSA-N 0 1 305.805 3.649 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000124380826 527545479 /nfs/dbraw/zinc/54/54/79/527545479.db2.gz GJOVJODSSLVEBN-INIZCTEOSA-N 0 1 305.805 3.649 20 10 DHCDMN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000740202793 600078509 /nfs/dbraw/zinc/07/85/09/600078509.db2.gz MGUFJRUOHAJSMO-UHFFFAOYSA-N 0 1 319.360 3.759 20 10 DHCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001589606612 949292380 /nfs/dbraw/zinc/29/23/80/949292380.db2.gz YLHNILWSCPFTKN-GOSISDBHSA-N 0 1 305.418 3.592 20 10 DHCDMN Cc1nc2c(o1)CCC[C@@H]2NCCCSc1nccs1 ZINC000925101319 1013739393 /nfs/dbraw/zinc/73/93/93/1013739393.db2.gz GVBYLLFTDRARNM-NSHDSACASA-N 0 1 309.460 3.589 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc4[nH]ccc4c3)cc2)CC1 ZINC001167431080 1014295919 /nfs/dbraw/zinc/29/59/19/1014295919.db2.gz GEUKVRDTXWAEEK-UHFFFAOYSA-N 0 1 320.440 3.532 20 10 DHCDMN C=Cc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167431002 1014297335 /nfs/dbraw/zinc/29/73/35/1014297335.db2.gz AUOWIIOULXEDMQ-UHFFFAOYSA-N 0 1 307.441 3.694 20 10 DHCDMN CN(C)c1ccc(/C=C\CNCc2cnc(Cl)s2)cc1 ZINC000895150700 1014626544 /nfs/dbraw/zinc/62/65/44/1014626544.db2.gz BAFYGNDYWATBEE-ARJAWSKDSA-N 0 1 307.850 3.666 20 10 DHCDMN CN(C)c1ccc(/C=C/CNCc2cnc(Cl)s2)cc1 ZINC000895150701 1014627026 /nfs/dbraw/zinc/62/70/26/1014627026.db2.gz BAFYGNDYWATBEE-ONEGZZNKSA-N 0 1 307.850 3.666 20 10 DHCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1O ZINC001595360256 980749827 /nfs/dbraw/zinc/74/98/27/980749827.db2.gz FDGLYQJDNSAGOO-QGZVFWFLSA-N 0 1 313.397 3.739 20 10 DHCDMN CCCC[N@@H+](Cc1cc(C(=O)[O-])oc1C)Cc1ccccc1O ZINC001595748091 982417597 /nfs/dbraw/zinc/41/75/97/982417597.db2.gz SCVDOOBNVWKVDZ-UHFFFAOYSA-N 0 1 317.385 3.794 20 10 DHCDMN COc1ccc(CNCc2ccc(C(C)(C)C)o2)c(O)c1OC ZINC000895839034 1015320743 /nfs/dbraw/zinc/32/07/43/1015320743.db2.gz JBHJCXQTXVCTEK-UHFFFAOYSA-N 0 1 319.401 3.590 20 10 DHCDMN CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140464476 1015509502 /nfs/dbraw/zinc/50/95/02/1015509502.db2.gz RCCYFTUZZYMVDY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140464476 1015509511 /nfs/dbraw/zinc/50/95/11/1015509511.db2.gz RCCYFTUZZYMVDY-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000276848001 1015710627 /nfs/dbraw/zinc/71/06/27/1015710627.db2.gz CUVUMDKSJRKLQV-MJBXVCDLSA-N 0 1 315.465 3.796 20 10 DHCDMN COc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195325 1016396904 /nfs/dbraw/zinc/39/69/04/1016396904.db2.gz PQBLHSHROFIZLJ-CXAGYDPISA-N 0 1 313.397 3.602 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCc2ccsc2C1 ZINC000127069672 1016575676 /nfs/dbraw/zinc/57/56/76/1016575676.db2.gz VRORGZVHIQGRMA-UHFFFAOYSA-N 0 1 324.243 3.775 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)ccc(F)c1F ZINC000877594984 1033371071 /nfs/dbraw/zinc/37/10/71/1033371071.db2.gz ORCQGVNWLPBADE-SECBINFHSA-N 0 1 309.278 3.835 20 10 DHCDMN CCCOc1ncccc1CNCc1c(O)cc(C)cc1Cl ZINC000840885262 1017362824 /nfs/dbraw/zinc/36/28/24/1017362824.db2.gz WJVRSTPTYSDJKE-UHFFFAOYSA-N 0 1 320.820 3.828 20 10 DHCDMN FC(F)Oc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921507818 1017398675 /nfs/dbraw/zinc/39/86/75/1017398675.db2.gz KXTCYBSRUXMFPK-UHFFFAOYSA-N 0 1 319.351 3.903 20 10 DHCDMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840907065 1017446888 /nfs/dbraw/zinc/44/68/88/1017446888.db2.gz MCFSQLYUSLKEIJ-JTQLQIEISA-N 0 1 308.809 3.852 20 10 DHCDMN Cc1cnc(CC[N@@H+](C)Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840917927 1017479068 /nfs/dbraw/zinc/47/90/68/1017479068.db2.gz YRGRTVQAJMIRCX-UHFFFAOYSA-N 0 1 310.850 3.793 20 10 DHCDMN Cc1cnc(CC[N@H+](C)Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840917927 1017479076 /nfs/dbraw/zinc/47/90/76/1017479076.db2.gz YRGRTVQAJMIRCX-UHFFFAOYSA-N 0 1 310.850 3.793 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000701060486 1017996390 /nfs/dbraw/zinc/99/63/90/1017996390.db2.gz TVWSREVZWGYUQZ-CYBMUJFWSA-N 0 1 322.202 3.915 20 10 DHCDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc3ccncc32)n1 ZINC000765107674 1018477108 /nfs/dbraw/zinc/47/71/08/1018477108.db2.gz XYPUTXDSIKGHAD-IBGZPJMESA-N 0 1 319.408 3.981 20 10 DHCDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])ccc3ccncc32)n1 ZINC000765107674 1018477116 /nfs/dbraw/zinc/47/71/16/1018477116.db2.gz XYPUTXDSIKGHAD-IBGZPJMESA-N 0 1 319.408 3.981 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@@H]2CCc3cc(F)ccc32)cc1F ZINC000858118409 1032775098 /nfs/dbraw/zinc/77/50/98/1032775098.db2.gz ZKDBQEQBWKQDHA-QGZVFWFLSA-N 0 1 320.358 3.947 20 10 DHCDMN CC[N@@H+](Cc1ccccn1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000176796777 1018698516 /nfs/dbraw/zinc/69/85/16/1018698516.db2.gz LMTVJLGPXCJDHP-UHFFFAOYSA-N 0 1 322.408 3.971 20 10 DHCDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c([O-])cccc1F ZINC001137839827 1018767370 /nfs/dbraw/zinc/76/73/70/1018767370.db2.gz LNUBAGRXLKSAJV-ZDUSSCGKSA-N 0 1 303.377 3.603 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1cncs1 ZINC000765447408 1018790869 /nfs/dbraw/zinc/79/08/69/1018790869.db2.gz BZPAXAFFKJYTAL-AWEZNQCLSA-N 0 1 301.459 3.984 20 10 DHCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715703687 1018941349 /nfs/dbraw/zinc/94/13/49/1018941349.db2.gz RMGAXEVNYARXRP-SECBINFHSA-N 0 1 302.187 3.526 20 10 DHCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715714808 1018951059 /nfs/dbraw/zinc/95/10/59/1018951059.db2.gz ZCMCMCAXMCCRRD-AOOOYVTPSA-N 0 1 316.214 3.772 20 10 DHCDMN CSCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134922395 1019052504 /nfs/dbraw/zinc/05/25/04/1019052504.db2.gz PXULXLQIYSSJDS-SECBINFHSA-N 0 1 304.253 3.558 20 10 DHCDMN CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134922619 1019053293 /nfs/dbraw/zinc/05/32/93/1019053293.db2.gz JZYZATZCLVUPSN-BDAKNGLRSA-N 0 1 304.253 3.557 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CCS1 ZINC000922839494 1020302844 /nfs/dbraw/zinc/30/28/44/1020302844.db2.gz UCMKAIOQKVIMKL-VHSXEESVSA-N 0 1 316.264 3.528 20 10 DHCDMN CN(CCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1F ZINC000733324958 1020371896 /nfs/dbraw/zinc/37/18/96/1020371896.db2.gz NNZGZHSNOQWSOO-UHFFFAOYSA-N 0 1 322.811 3.801 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1cccc(Cl)c1 ZINC000733325108 1020372125 /nfs/dbraw/zinc/37/21/25/1020372125.db2.gz XRLOVFIQZPUOOC-UHFFFAOYSA-N 0 1 312.196 3.868 20 10 DHCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])Oc1ccccc1 ZINC000734160459 1020569877 /nfs/dbraw/zinc/56/98/77/1020569877.db2.gz BHLUMKJHLORKHU-UHFFFAOYSA-N 0 1 305.805 3.993 20 10 DHCDMN C[C@H](N[C@@H]1COc2cccc(F)c21)c1cc(Cl)ccc1O ZINC000368411274 1020694592 /nfs/dbraw/zinc/69/45/92/1020694592.db2.gz NMAVBTNOBQKMCG-TVQRCGJNSA-N 0 1 307.752 3.969 20 10 DHCDMN C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCCO1 ZINC000738060234 1020863471 /nfs/dbraw/zinc/86/34/71/1020863471.db2.gz BQZYUFNFOMQFBE-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@@H]1CCCO1 ZINC000738060234 1020863478 /nfs/dbraw/zinc/86/34/78/1020863478.db2.gz BQZYUFNFOMQFBE-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN Cc1cc([C@@H](C)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000858544103 1032940819 /nfs/dbraw/zinc/94/08/19/1032940819.db2.gz YPHOZBCZNIWOGK-MRXNPFEDSA-N 0 1 322.456 3.987 20 10 DHCDMN CCOc1ccc(CN[C@@](C)(CC)c2nccs2)c(O)c1 ZINC000740014892 1020927711 /nfs/dbraw/zinc/92/77/11/1020927711.db2.gz YINXVHDYAKCDNH-INIZCTEOSA-N 0 1 306.431 3.662 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000310817245 1021058888 /nfs/dbraw/zinc/05/88/88/1021058888.db2.gz GWBJTRDPXWJTSD-RYUDHWBXSA-N 0 1 310.235 3.777 20 10 DHCDMN Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000742160121 1021096845 /nfs/dbraw/zinc/09/68/45/1021096845.db2.gz BFULCDSDPCJHRR-NRFANRHFSA-N 0 1 323.436 3.763 20 10 DHCDMN COc1ccc(CN[C@H](C)c2c(F)cccc2F)c(O)c1OC ZINC000892633724 1021130162 /nfs/dbraw/zinc/13/01/62/1021130162.db2.gz XERCVYHWTNCOBJ-SNVBAGLBSA-N 0 1 323.339 3.538 20 10 DHCDMN COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850362915 1021488407 /nfs/dbraw/zinc/48/84/07/1021488407.db2.gz VAHCUSSAOMJNRP-MRXNPFEDSA-N 0 1 321.804 3.532 20 10 DHCDMN C[C@@H]([NH2+]CCC1SCCS1)c1ccc(Cl)cc1[O-] ZINC000850569049 1021610954 /nfs/dbraw/zinc/61/09/54/1021610954.db2.gz RQDHMHNXNLFCFA-SECBINFHSA-N 0 1 303.880 3.892 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2csc(C3CC3)n2)c1 ZINC000182441575 1021654337 /nfs/dbraw/zinc/65/43/37/1021654337.db2.gz MDAGMOVGNDUZOI-JTQLQIEISA-N 0 1 304.415 3.586 20 10 DHCDMN CCc1cc(CN2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000919941359 1021976063 /nfs/dbraw/zinc/97/60/63/1021976063.db2.gz YFKFXANILDOBEI-UHFFFAOYSA-N 0 1 305.462 3.863 20 10 DHCDMN COc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)sn1 ZINC000851772122 1021994212 /nfs/dbraw/zinc/99/42/12/1021994212.db2.gz XRDNQSIXRIXRSQ-UHFFFAOYSA-N 0 1 318.442 3.802 20 10 DHCDMN Cc1ccc(O)c(CNCc2cc(F)ccc2Br)c1 ZINC000071408205 1022181139 /nfs/dbraw/zinc/18/11/39/1022181139.db2.gz NCWCGPUVEMZSAE-UHFFFAOYSA-N 0 1 324.193 3.892 20 10 DHCDMN COc1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546303 1022290208 /nfs/dbraw/zinc/29/02/08/1022290208.db2.gz ZAOIUPAJRIAITE-INIZCTEOSA-N 0 1 301.361 3.795 20 10 DHCDMN COc1cc(CN2CC[C@H]2c2ccc(F)cc2)c(O)cc1C ZINC000853546303 1022290215 /nfs/dbraw/zinc/29/02/15/1022290215.db2.gz ZAOIUPAJRIAITE-INIZCTEOSA-N 0 1 301.361 3.795 20 10 DHCDMN C[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854222521 1022433155 /nfs/dbraw/zinc/43/31/55/1022433155.db2.gz HUXWUZSNKBVJTO-SECBINFHSA-N 0 1 303.233 3.621 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854226873 1022435620 /nfs/dbraw/zinc/43/56/20/1022435620.db2.gz SAPLXXPYHGINED-QFYYESIMSA-N 0 1 302.805 3.966 20 10 DHCDMN CC1(C)CC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474804 1022478196 /nfs/dbraw/zinc/47/81/96/1022478196.db2.gz OYWFASZOPUBJKU-JTQLQIEISA-N 0 1 302.201 3.751 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000776770569 1022558120 /nfs/dbraw/zinc/55/81/20/1022558120.db2.gz BGGCYJWGYDUDCT-IBGZPJMESA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000776770569 1022558128 /nfs/dbraw/zinc/55/81/28/1022558128.db2.gz BGGCYJWGYDUDCT-IBGZPJMESA-N 0 1 311.425 3.936 20 10 DHCDMN CCOc1ccccc1CN(C)Cc1cccc(OCC)c1O ZINC000180039259 1022622452 /nfs/dbraw/zinc/62/24/52/1022622452.db2.gz QVJYCICAPBETLK-UHFFFAOYSA-N 0 1 315.413 3.822 20 10 DHCDMN COc1ccc(CNCc2cccc(OC(C)(C)C)n2)cc1C ZINC000767417115 1022705008 /nfs/dbraw/zinc/70/50/08/1022705008.db2.gz HTOATKMLXWMZIJ-UHFFFAOYSA-N 0 1 314.429 3.866 20 10 DHCDMN Cn1nc(CN(Cc2ccccc2O)C2CCCC2)cc1Cl ZINC000859138790 1033079320 /nfs/dbraw/zinc/07/93/20/1033079320.db2.gz IXSACBDMLJZDPN-UHFFFAOYSA-N 0 1 319.836 3.724 20 10 DHCDMN Cc1nc2c(s1)C[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237798200 1022839983 /nfs/dbraw/zinc/83/99/83/1022839983.db2.gz ABMBTATVENKORA-UHFFFAOYSA-N 0 1 312.797 3.508 20 10 DHCDMN Cc1nc2c(s1)C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237798200 1022839997 /nfs/dbraw/zinc/83/99/97/1022839997.db2.gz ABMBTATVENKORA-UHFFFAOYSA-N 0 1 312.797 3.508 20 10 DHCDMN CCC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768338696 1022946779 /nfs/dbraw/zinc/94/67/79/1022946779.db2.gz OHJXFBTWHWSPIN-SNVBAGLBSA-N 0 1 316.239 3.784 20 10 DHCDMN CCC[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768338696 1022946785 /nfs/dbraw/zinc/94/67/85/1022946785.db2.gz OHJXFBTWHWSPIN-SNVBAGLBSA-N 0 1 316.239 3.784 20 10 DHCDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nn1 ZINC000876584838 1033097286 /nfs/dbraw/zinc/09/72/86/1033097286.db2.gz QJDGLMWCOUXOQL-UHFFFAOYSA-N 0 1 318.852 3.607 20 10 DHCDMN COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000768536382 1022986412 /nfs/dbraw/zinc/98/64/12/1022986412.db2.gz IWPTZTPPWURCLY-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000768536382 1022986420 /nfs/dbraw/zinc/98/64/20/1022986420.db2.gz IWPTZTPPWURCLY-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000368651086 1022995811 /nfs/dbraw/zinc/99/58/11/1022995811.db2.gz FWMLFBYDDJNUEZ-YMRXKLBXSA-N 0 1 309.837 3.901 20 10 DHCDMN CC1(C)C(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1(C)C ZINC000857508138 1023023478 /nfs/dbraw/zinc/02/34/78/1023023478.db2.gz MSZBCFXGKPQQNA-UHFFFAOYSA-N 0 1 316.228 3.997 20 10 DHCDMN c1cc(N2CCCCC2)ccc1CN1CCOC2(CCCC2)C1 ZINC000769468239 1023161556 /nfs/dbraw/zinc/16/15/56/1023161556.db2.gz FGBUSXRKJUWCBM-UHFFFAOYSA-N 0 1 314.473 3.822 20 10 DHCDMN CCOc1ccc(O)c(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000769507869 1023170385 /nfs/dbraw/zinc/17/03/85/1023170385.db2.gz PMGGGMKMGBTZSA-QGZVFWFLSA-N 0 1 301.361 3.877 20 10 DHCDMN COCCSCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000785691677 1023605587 /nfs/dbraw/zinc/60/55/87/1023605587.db2.gz AIXZQAAPSYHWRC-UHFFFAOYSA-N 0 1 323.502 3.907 20 10 DHCDMN COCCSCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000785691677 1023605592 /nfs/dbraw/zinc/60/55/92/1023605592.db2.gz AIXZQAAPSYHWRC-UHFFFAOYSA-N 0 1 323.502 3.907 20 10 DHCDMN C[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccc(N(C)C)cc1 ZINC000788523548 1023900246 /nfs/dbraw/zinc/90/02/46/1023900246.db2.gz PDYMKEBAWGSYIZ-ZDUSSCGKSA-N 0 1 310.401 3.587 20 10 DHCDMN CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000788537852 1023901282 /nfs/dbraw/zinc/90/12/82/1023901282.db2.gz KLPHOAHAWXACCL-MSOLQXFVSA-N 0 1 319.832 3.893 20 10 DHCDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cn2ccccc2n1 ZINC000788525860 1023905686 /nfs/dbraw/zinc/90/56/86/1023905686.db2.gz NPTFYDLDSARSLJ-MRXNPFEDSA-N 0 1 320.440 3.785 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185482211 1024028727 /nfs/dbraw/zinc/02/87/27/1024028727.db2.gz LHRCXKNIBVIIBM-ZFWWWQNUSA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc2ccccc2c1[O-] ZINC000185513408 1024031937 /nfs/dbraw/zinc/03/19/37/1024031937.db2.gz XLMIRFSSAQPEFM-SJKOYZFVSA-N 0 1 313.422 3.991 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000707129732 1024054047 /nfs/dbraw/zinc/05/40/47/1024054047.db2.gz RIYPILTVMMDWQI-SMDDNHRTSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000707129732 1024054062 /nfs/dbraw/zinc/05/40/62/1024054062.db2.gz RIYPILTVMMDWQI-SMDDNHRTSA-N 0 1 310.235 3.919 20 10 DHCDMN COc1cccc(CN(Cc2ccc(F)cc2F)C2CC2)c1O ZINC000130125325 1024134452 /nfs/dbraw/zinc/13/44/52/1024134452.db2.gz WBJOQUYYNRHOOV-UHFFFAOYSA-N 0 1 319.351 3.844 20 10 DHCDMN CCN(C)c1ccc([C@H](C)NCc2cn3ccsc3n2)cc1 ZINC000268797861 1024162535 /nfs/dbraw/zinc/16/25/35/1024162535.db2.gz JCCBYKINXMITCT-ZDUSSCGKSA-N 0 1 314.458 3.703 20 10 DHCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000789744512 1024163327 /nfs/dbraw/zinc/16/33/27/1024163327.db2.gz WHDAQLZWHJBYFK-UHFFFAOYSA-N 0 1 303.837 3.741 20 10 DHCDMN Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1C[NH+](C)C ZINC000883144841 1024256695 /nfs/dbraw/zinc/25/66/95/1024256695.db2.gz CGWPDZDJGHVXCC-UHFFFAOYSA-N 0 1 306.356 3.653 20 10 DHCDMN COCC[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CC[C@@H](C)C1 ZINC000790476861 1024307462 /nfs/dbraw/zinc/30/74/62/1024307462.db2.gz FDVWZHALFPJFEF-GDBMZVCRSA-N 0 1 314.429 3.577 20 10 DHCDMN COCC[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CC[C@@H](C)C1 ZINC000790476861 1024307478 /nfs/dbraw/zinc/30/74/78/1024307478.db2.gz FDVWZHALFPJFEF-GDBMZVCRSA-N 0 1 314.429 3.577 20 10 DHCDMN C[N@@H+](CCNCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000790958435 1024404799 /nfs/dbraw/zinc/40/47/99/1024404799.db2.gz PDVDZZDDEZGHHQ-UHFFFAOYSA-N 0 1 314.832 3.539 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2[O-] ZINC000883381237 1024412808 /nfs/dbraw/zinc/41/28/08/1024412808.db2.gz JHYXXEFIORAZBB-SMDDNHRTSA-N 0 1 305.393 3.628 20 10 DHCDMN C[C@@H](NCc1nccn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000790989971 1024413303 /nfs/dbraw/zinc/41/33/03/1024413303.db2.gz GXFVEPWGWZQVCX-MRXNPFEDSA-N 0 1 320.440 3.789 20 10 DHCDMN O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)ccc(O)c1O ZINC000791203817 1024457063 /nfs/dbraw/zinc/45/70/63/1024457063.db2.gz GRYXLLWKISSEDY-UHFFFAOYSA-N 0 1 315.222 3.508 20 10 DHCDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000317310856 1024520287 /nfs/dbraw/zinc/52/02/87/1024520287.db2.gz VAOKUYQVELAORJ-CYBMUJFWSA-N 0 1 303.377 3.603 20 10 DHCDMN CS[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792173448 1024640613 /nfs/dbraw/zinc/64/06/13/1024640613.db2.gz WQAJVHTWTYTWOX-JTQLQIEISA-N 0 1 303.830 3.902 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000897419790 1024792634 /nfs/dbraw/zinc/79/26/34/1024792634.db2.gz SURVVNCQGSRGDO-LLVKDONJSA-N 0 1 303.789 3.831 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2ccc(F)c(F)c2F)c1 ZINC000825935180 1033249161 /nfs/dbraw/zinc/24/91/61/1033249161.db2.gz OKRSLUPNGTWTES-VIFPVBQESA-N 0 1 311.303 3.669 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229562325 1025062880 /nfs/dbraw/zinc/06/28/80/1025062880.db2.gz VLEYADJVQGIIPI-PWSUYJOCSA-N 0 1 316.264 3.701 20 10 DHCDMN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000124046296 1025319988 /nfs/dbraw/zinc/31/99/88/1025319988.db2.gz OBCVFZSXBFMXJY-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3ccccc3cc1[O-])C2 ZINC001168242223 1025374745 /nfs/dbraw/zinc/37/47/45/1025374745.db2.gz BWPXKPYFXTTXFS-IBGZPJMESA-N 0 1 319.404 3.811 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)SC)c1cc(Br)ccc1[O-] ZINC000136162790 1025386297 /nfs/dbraw/zinc/38/62/97/1025386297.db2.gz SRTCWVRMTHUJIV-CABZTGNLSA-N 0 1 318.280 3.947 20 10 DHCDMN CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000805175315 1025549248 /nfs/dbraw/zinc/54/92/48/1025549248.db2.gz WUWLEXJMDVGTAL-UHFFFAOYSA-N 0 1 317.216 3.688 20 10 DHCDMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840073 1026124561 /nfs/dbraw/zinc/12/45/61/1026124561.db2.gz XCMCYLBOHZMJHS-ABAIWWIYSA-N 0 1 316.228 3.997 20 10 DHCDMN CS[C@@H](C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836537 1026128092 /nfs/dbraw/zinc/12/80/92/1026128092.db2.gz ZSTFIANPLOFGFD-QMMMGPOBSA-N 0 1 322.257 3.847 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCS1 ZINC000807838828 1026131639 /nfs/dbraw/zinc/13/16/39/1026131639.db2.gz RTFWHQVSBBNYPZ-LLVKDONJSA-N 0 1 320.241 3.601 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncnc2c1CCC2 ZINC000808089179 1026202355 /nfs/dbraw/zinc/20/23/55/1026202355.db2.gz IZODWVOOXMLXGN-UHFFFAOYSA-N 0 1 310.184 3.590 20 10 DHCDMN CN(C)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000808425439 1026274321 /nfs/dbraw/zinc/27/43/21/1026274321.db2.gz FKSWBUQQSFRTBR-MRXNPFEDSA-N 0 1 322.811 3.577 20 10 DHCDMN Oc1c(Br)cccc1CN[C@@H](C1CC1)C(F)(F)F ZINC000808438684 1026286427 /nfs/dbraw/zinc/28/64/27/1026286427.db2.gz KODHULXHZOQOAM-NSHDSACASA-N 0 1 324.140 3.585 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000808705928 1026358709 /nfs/dbraw/zinc/35/87/09/1026358709.db2.gz BEBVZLYMLCHWOW-ZDUSSCGKSA-N 0 1 311.853 3.947 20 10 DHCDMN Clc1ccnc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000924899388 1026466005 /nfs/dbraw/zinc/46/60/05/1026466005.db2.gz FCMLZZAKPMLDPT-INIZCTEOSA-N 0 1 314.816 3.837 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000280066235 1026581140 /nfs/dbraw/zinc/58/11/40/1026581140.db2.gz LTLULFYMBUDHSD-UWVGGRQHSA-N 0 1 316.264 3.558 20 10 DHCDMN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000809643764 1026582591 /nfs/dbraw/zinc/58/25/91/1026582591.db2.gz UASSROBUXHEEPB-KRWDZBQOSA-N 0 1 319.832 3.819 20 10 DHCDMN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000809643764 1026582597 /nfs/dbraw/zinc/58/25/97/1026582597.db2.gz UASSROBUXHEEPB-KRWDZBQOSA-N 0 1 319.832 3.819 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758177 1026618604 /nfs/dbraw/zinc/61/86/04/1026618604.db2.gz FQUFZDJKFJHNDP-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758177 1026618610 /nfs/dbraw/zinc/61/86/10/1026618610.db2.gz FQUFZDJKFJHNDP-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN FC(F)(F)c1cscc1CNCc1ccc2c(c1)CCO2 ZINC000810141518 1026688796 /nfs/dbraw/zinc/68/87/96/1026688796.db2.gz ZYNRSRGSOGCLCU-UHFFFAOYSA-N 0 1 313.344 3.992 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])OCCc2sccc21 ZINC000810170182 1026693870 /nfs/dbraw/zinc/69/38/70/1026693870.db2.gz GNLKFVPRLXUVOF-INIZCTEOSA-N 0 1 323.845 3.685 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227790 1026713911 /nfs/dbraw/zinc/71/39/11/1026713911.db2.gz JMZQYWVRYJZMMZ-OCCSQVGLSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238334 1026725650 /nfs/dbraw/zinc/72/56/50/1026725650.db2.gz JFKDNFDLQIFYNP-QKCSRTOESA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238765 1026725957 /nfs/dbraw/zinc/72/59/57/1026725957.db2.gz MSCOHUPWMKBBFJ-FPMFFAJLSA-N 0 1 317.351 3.611 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810257017 1026730647 /nfs/dbraw/zinc/73/06/47/1026730647.db2.gz LAYAMDUJPKWYGI-NRUUGDAUSA-N 0 1 305.340 3.875 20 10 DHCDMN C[N@@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1O ZINC000778996464 1027736776 /nfs/dbraw/zinc/73/67/76/1027736776.db2.gz PZAUWHONCFJFIU-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN Oc1ccc(F)cc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000778996496 1027738595 /nfs/dbraw/zinc/73/85/95/1027738595.db2.gz RKBQHEIMUIYGQB-UHFFFAOYSA-N 0 1 320.795 3.507 20 10 DHCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000813877044 1027748561 /nfs/dbraw/zinc/74/85/61/1027748561.db2.gz JADIMFPOHLEYCW-ZJUUUORDSA-N 0 1 305.249 3.547 20 10 DHCDMN CCc1nc(C)c(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000813886390 1027753682 /nfs/dbraw/zinc/75/36/82/1027753682.db2.gz AZHRSHAKRFLHDQ-SKDRFNHKSA-N 0 1 304.365 3.728 20 10 DHCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cn1 ZINC000778214913 1027890830 /nfs/dbraw/zinc/89/08/30/1027890830.db2.gz YNHWQGNPYHWNMP-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cn1 ZINC000778214913 1027890849 /nfs/dbraw/zinc/89/08/49/1027890849.db2.gz YNHWQGNPYHWNMP-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN CN(C)c1ccc(CN(Cc2ccc(Cl)cn2)C2CC2)cc1 ZINC000778216649 1027904063 /nfs/dbraw/zinc/90/40/63/1027904063.db2.gz SOLZRMLYMCGWQW-UHFFFAOYSA-N 0 1 315.848 3.966 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366544073 1028097730 /nfs/dbraw/zinc/09/77/30/1028097730.db2.gz KNYCBRCAZHLMCY-ACJLOTCBSA-N 0 1 312.413 3.940 20 10 DHCDMN COc1ccc(N(Cc2n[nH]c(C(C)(C)C)n2)C(C)C)cc1F ZINC000814627041 1028128000 /nfs/dbraw/zinc/12/80/00/1028128000.db2.gz CHJAVCYSTCMHSH-UHFFFAOYSA-N 0 1 320.412 3.665 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000367376825 1028175902 /nfs/dbraw/zinc/17/59/02/1028175902.db2.gz DEERMQLXGBADIW-LPHOPBHVSA-N 0 1 319.445 3.503 20 10 DHCDMN Cc1cc(CN(C)Cc2ccc(Cl)nc2)ccc1N(C)C ZINC000815058744 1028344750 /nfs/dbraw/zinc/34/47/50/1028344750.db2.gz RQVURKJHAHKGPN-UHFFFAOYSA-N 0 1 303.837 3.741 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1cccc(O)c1Cl ZINC000815124665 1028369088 /nfs/dbraw/zinc/36/90/88/1028369088.db2.gz GYYYLBYWKCGWNA-UHFFFAOYSA-N 0 1 304.821 3.710 20 10 DHCDMN C[C@@H](NCc1cccc(O)c1Cl)c1ccc(N(C)C)cc1 ZINC000815136267 1028396774 /nfs/dbraw/zinc/39/67/74/1028396774.db2.gz TWCKDYNQCICJRU-GFCCVEGCSA-N 0 1 304.821 3.962 20 10 DHCDMN CC[C@H](Nc1cnccc1-n1cc(C)cn1)c1ccccc1O ZINC000369017920 1028436291 /nfs/dbraw/zinc/43/62/91/1028436291.db2.gz JOQWQNOTAJZZFA-HNNXBMFYSA-N 0 1 308.385 3.845 20 10 DHCDMN Oc1ccccc1[C@H](CCc1ccccc1)NCc1ccon1 ZINC000815585186 1028556709 /nfs/dbraw/zinc/55/67/09/1028556709.db2.gz ALFBGROFMKCHDO-SFHVURJKSA-N 0 1 308.381 3.844 20 10 DHCDMN CC[C@H]([NH2+]Cc1cnccc1OC)c1cc(Cl)ccc1[O-] ZINC000815629724 1028579917 /nfs/dbraw/zinc/57/99/17/1028579917.db2.gz KZFVKAPZAZGPGZ-AWEZNQCLSA-N 0 1 306.793 3.690 20 10 DHCDMN Cc1cccc(CNCc2nc3cc(Cl)ccc3n2C)c1O ZINC000779191306 1028668068 /nfs/dbraw/zinc/66/80/68/1028668068.db2.gz OWYLKAWJRRQPBT-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816493291 1028897099 /nfs/dbraw/zinc/89/70/99/1028897099.db2.gz VZJQSMJRRXUXCB-INIZCTEOSA-N 0 1 321.420 3.928 20 10 DHCDMN C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816493291 1028897109 /nfs/dbraw/zinc/89/71/09/1028897109.db2.gz VZJQSMJRRXUXCB-INIZCTEOSA-N 0 1 321.420 3.928 20 10 DHCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816495751 1028897812 /nfs/dbraw/zinc/89/78/12/1028897812.db2.gz IKRKPHBTIGDOAN-UHFFFAOYSA-N 0 1 308.784 3.644 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514828 1028920907 /nfs/dbraw/zinc/92/09/07/1028920907.db2.gz IJZLKFDDTHMUED-HXUWFJFHSA-N 0 1 311.425 3.938 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc2ccccc21 ZINC000816514828 1028920922 /nfs/dbraw/zinc/92/09/22/1028920922.db2.gz IJZLKFDDTHMUED-HXUWFJFHSA-N 0 1 311.425 3.938 20 10 DHCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC[C@@H](C)C1 ZINC000816535612 1028923696 /nfs/dbraw/zinc/92/36/96/1028923696.db2.gz UMSGAQAFWZUJAA-HZPDHXFCSA-N 0 1 312.457 3.755 20 10 DHCDMN C[C@H](O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816539104 1028926730 /nfs/dbraw/zinc/92/67/30/1028926730.db2.gz ROIMBKOSJHLKKO-AWEZNQCLSA-N 0 1 307.393 3.889 20 10 DHCDMN C[C@@H](O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816539105 1028927383 /nfs/dbraw/zinc/92/73/83/1028927383.db2.gz ROIMBKOSJHLKKO-CQSZACIVSA-N 0 1 307.393 3.889 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc2ccccc21 ZINC000816592920 1028937319 /nfs/dbraw/zinc/93/73/19/1028937319.db2.gz YKHDMLOHFKYHAS-SFHVURJKSA-N 0 1 310.441 3.652 20 10 DHCDMN [O-]c1c(C[NH2+][C@H]2CCc3cc(O)ccc3C2)ccc2ccccc21 ZINC000816592669 1028937910 /nfs/dbraw/zinc/93/79/10/1028937910.db2.gz QOBKEUAFULREPP-SFHVURJKSA-N 0 1 319.404 3.898 20 10 DHCDMN Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816588005 1028939112 /nfs/dbraw/zinc/93/91/12/1028939112.db2.gz CUSUYIHVENKDIH-LJQANCHMSA-N 0 1 321.420 3.547 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](CCO)c2ccccc2)ccc2ccccc21 ZINC000816552720 1028943113 /nfs/dbraw/zinc/94/31/13/1028943113.db2.gz UMGFJTAOIAUCKW-GOSISDBHSA-N 0 1 321.420 3.801 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000816566838 1028947799 /nfs/dbraw/zinc/94/77/99/1028947799.db2.gz IKOHSDPYSBTGNL-CYBMUJFWSA-N 0 1 320.795 3.644 20 10 DHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816570709 1028949259 /nfs/dbraw/zinc/94/92/59/1028949259.db2.gz FHBHNUAGPDDFJA-LBPRGKRZSA-N 0 1 315.816 3.823 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566153 1028949397 /nfs/dbraw/zinc/94/93/97/1028949397.db2.gz MLGDJQMMGQRORZ-AWEZNQCLSA-N 0 1 307.340 3.749 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816566153 1028949413 /nfs/dbraw/zinc/94/94/13/1028949413.db2.gz MLGDJQMMGQRORZ-AWEZNQCLSA-N 0 1 307.340 3.749 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630440 1028951616 /nfs/dbraw/zinc/95/16/16/1028951616.db2.gz DSYYDDGYRPBFQJ-CYBMUJFWSA-N 0 1 316.228 3.578 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000816607860 1028958476 /nfs/dbraw/zinc/95/84/76/1028958476.db2.gz IEAHGPMPLSVOGU-AWEZNQCLSA-N 0 1 309.772 3.635 20 10 DHCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609281 1028960037 /nfs/dbraw/zinc/96/00/37/1028960037.db2.gz WOYHXTDNBSGJMR-DGCLKSJQSA-N 0 1 315.816 3.700 20 10 DHCDMN Cc1noc([C@@H]2CCCN2Cc2ccc3ccccc3c2O)n1 ZINC000816609858 1028960928 /nfs/dbraw/zinc/96/09/28/1028960928.db2.gz OXYHVVSMLDOAJG-INIZCTEOSA-N 0 1 309.369 3.574 20 10 DHCDMN CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000373144215 1028962448 /nfs/dbraw/zinc/96/24/48/1028962448.db2.gz ZDYNCFMHEGKPGQ-OAHLLOKOSA-N 0 1 317.408 3.688 20 10 DHCDMN CCOc1ccc(CN2CC(C)(C)[C@H]2c2ccncc2)c(O)c1 ZINC000816621852 1028968484 /nfs/dbraw/zinc/96/84/84/1028968484.db2.gz QPDDUPBKSFAOCV-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN Oc1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc2ccccc21 ZINC000816666938 1028985289 /nfs/dbraw/zinc/98/52/89/1028985289.db2.gz YKYZDAGNNXTWQE-VQTJNVASSA-N 0 1 309.409 3.689 20 10 DHCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000373469445 1029054187 /nfs/dbraw/zinc/05/41/87/1029054187.db2.gz ZWDKUBCJXLPFPM-OAHLLOKOSA-N 0 1 301.789 3.576 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccncc1Cl ZINC000817573619 1029201071 /nfs/dbraw/zinc/20/10/71/1029201071.db2.gz GHOXHBHQPIYRSC-NSHDSACASA-N 0 1 307.800 3.791 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817984374 1029320896 /nfs/dbraw/zinc/32/08/96/1029320896.db2.gz RKAVFDSGEQMVLF-ZWNOBZJWSA-N 0 1 317.260 3.882 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC(F)(F)C1 ZINC000529567991 1029427684 /nfs/dbraw/zinc/42/76/84/1029427684.db2.gz YUYRDTHLRSFNHT-QMMMGPOBSA-N 0 1 320.177 3.678 20 10 DHCDMN Oc1cccc2c1C[N@H+]([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170943909 1029676249 /nfs/dbraw/zinc/67/62/49/1029676249.db2.gz OASGLEHTYPEPDW-HNNXBMFYSA-N 0 1 313.828 3.961 20 10 DHCDMN CCCOc1ccc(CN(Cc2ccccn2)C2CC2)c(O)c1 ZINC000290450248 1030055216 /nfs/dbraw/zinc/05/52/16/1030055216.db2.gz MHXVSYOWSRPPGK-UHFFFAOYSA-N 0 1 312.413 3.741 20 10 DHCDMN C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290622384 1030127994 /nfs/dbraw/zinc/12/79/94/1030127994.db2.gz XJNBRYPQBSMTAO-OAHLLOKOSA-N 0 1 318.244 3.826 20 10 DHCDMN COC(C)(C)CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000866505350 1030330106 /nfs/dbraw/zinc/33/01/06/1030330106.db2.gz XVPLBIUHJCYQCW-SNVBAGLBSA-N 0 1 316.239 3.620 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000823608962 1030338640 /nfs/dbraw/zinc/33/86/40/1030338640.db2.gz MZNIYNKCHXSHEU-HNNXBMFYSA-N 0 1 320.358 3.947 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc2ccccc2c1[O-] ZINC000866632833 1030412946 /nfs/dbraw/zinc/41/29/46/1030412946.db2.gz CFIWNQKUDNLJGE-SUMWQHHRSA-N 0 1 307.397 3.928 20 10 DHCDMN CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824597858 1030591486 /nfs/dbraw/zinc/59/14/86/1030591486.db2.gz YCDZVRDOJILYOH-CQSZACIVSA-N 0 1 315.335 3.798 20 10 DHCDMN COc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000122419791 1030699944 /nfs/dbraw/zinc/69/99/44/1030699944.db2.gz AGEYOPYYNHTMBJ-GFCCVEGCSA-N 0 1 320.383 3.890 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215020 1030750323 /nfs/dbraw/zinc/75/03/23/1030750323.db2.gz CVDPUDFXOMBVLI-OAHLLOKOSA-N 0 1 315.841 3.904 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000825341740 1030781057 /nfs/dbraw/zinc/78/10/57/1030781057.db2.gz RARIGSAOJVTSRF-CQSZACIVSA-N 0 1 309.837 3.935 20 10 DHCDMN Cc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])sc1C ZINC000825358772 1030786080 /nfs/dbraw/zinc/78/60/80/1030786080.db2.gz VJZQKONZGMYILM-UHFFFAOYSA-N 0 1 310.850 3.760 20 10 DHCDMN COc1cc(C)ccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825354321 1030787559 /nfs/dbraw/zinc/78/75/59/1030787559.db2.gz SXSXRPSJWMJPIJ-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN CSc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccn1 ZINC000825440072 1030812341 /nfs/dbraw/zinc/81/23/41/1030812341.db2.gz AJMWWENXHLUVJD-UHFFFAOYSA-N 0 1 308.834 3.761 20 10 DHCDMN COCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccco1 ZINC000825474510 1030822679 /nfs/dbraw/zinc/82/26/79/1030822679.db2.gz CLPOGUWJTPKTRG-CQSZACIVSA-N 0 1 309.793 3.814 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1Cl ZINC000825484270 1030841069 /nfs/dbraw/zinc/84/10/69/1030841069.db2.gz JNZPRMXVIJXLMZ-HNNXBMFYSA-N 0 1 316.832 3.814 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1Cl ZINC000825484270 1030841081 /nfs/dbraw/zinc/84/10/81/1030841081.db2.gz JNZPRMXVIJXLMZ-HNNXBMFYSA-N 0 1 316.832 3.814 20 10 DHCDMN C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000926965470 1031017842 /nfs/dbraw/zinc/01/78/42/1031017842.db2.gz WDCQFGHOYWAEST-TVQRCGJNSA-N 0 1 324.774 3.579 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844745709 1031309843 /nfs/dbraw/zinc/30/98/43/1031309843.db2.gz FEQMEKDMPCBLMV-MRXNPFEDSA-N 0 1 304.340 3.562 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844745709 1031309857 /nfs/dbraw/zinc/30/98/57/1031309857.db2.gz FEQMEKDMPCBLMV-MRXNPFEDSA-N 0 1 304.340 3.562 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(O)c1F ZINC000872036008 1031419322 /nfs/dbraw/zinc/41/93/22/1031419322.db2.gz RNYTXZRXZBDYSQ-CYBMUJFWSA-N 0 1 302.393 3.757 20 10 DHCDMN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc2ccccc2c1[O-] ZINC000872111654 1031503800 /nfs/dbraw/zinc/50/38/00/1031503800.db2.gz FNVKOTSLEGHRFJ-UKRRQHHQSA-N 0 1 313.397 3.539 20 10 DHCDMN CCCOc1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C ZINC000873097430 1031708697 /nfs/dbraw/zinc/70/86/97/1031708697.db2.gz QSQMZAACFMDXQM-AWEZNQCLSA-N 0 1 316.449 3.876 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2c(F)ccc(C)c2F)c1 ZINC000930216390 1031739798 /nfs/dbraw/zinc/73/97/98/1031739798.db2.gz GWTDPFDILVQJMX-LLVKDONJSA-N 0 1 307.340 3.838 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc(N3CCCC3)o2)cc1 ZINC001137070251 1031786595 /nfs/dbraw/zinc/78/65/95/1031786595.db2.gz HIABPFAGGDHCQH-UHFFFAOYSA-N 0 1 313.445 3.578 20 10 DHCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000846183352 1031916338 /nfs/dbraw/zinc/91/63/38/1031916338.db2.gz IAEGNYOZKYSGIR-SUNYJGFJSA-N 0 1 301.430 3.993 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000846185289 1031919616 /nfs/dbraw/zinc/91/96/16/1031919616.db2.gz AZVOPRJROIOGLH-ZJNRKIDTSA-N 0 1 319.832 3.992 20 10 DHCDMN CC(C)Oc1ccc(N(C)Cc2ccnn2-c2ccncc2)cc1 ZINC000825699777 1031943466 /nfs/dbraw/zinc/94/34/66/1031943466.db2.gz XRFNSJSEAXZEPD-UHFFFAOYSA-N 0 1 322.412 3.691 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cnn(CC2CCC2)c1 ZINC000898178178 1031980347 /nfs/dbraw/zinc/98/03/47/1031980347.db2.gz YQSNWUXXRWAYQT-GFCCVEGCSA-N 0 1 319.836 3.893 20 10 DHCDMN CCCCCOC1CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC001206174377 1033341165 /nfs/dbraw/zinc/34/11/65/1033341165.db2.gz LTUSRVQLIWVLKM-UHFFFAOYSA-N 0 1 301.789 3.576 20 10 DHCDMN CCCn1ncc(NCc2ccc(F)c(F)c2O)c1C1CC1 ZINC000877561623 1033357446 /nfs/dbraw/zinc/35/74/46/1033357446.db2.gz PEDLCAZZAQVMPG-UHFFFAOYSA-N 0 1 307.344 3.766 20 10 DHCDMN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877563008 1033358865 /nfs/dbraw/zinc/35/88/65/1033358865.db2.gz FAVAEYYTZAOKPC-PSASIEDQSA-N 0 1 309.278 3.833 20 10 DHCDMN CCn1nc(C)c(C[N@@H+](C)Cc2cccc(Cl)c2[O-])c1C ZINC000877664518 1033402384 /nfs/dbraw/zinc/40/23/84/1033402384.db2.gz SMDDCYHUTSYODY-UHFFFAOYSA-N 0 1 307.825 3.511 20 10 DHCDMN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)cc(Cl)c1O)N2 ZINC000877863302 1033493038 /nfs/dbraw/zinc/49/30/38/1033493038.db2.gz GURHWGSDXRFDAP-CQSZACIVSA-N 0 1 323.179 3.862 20 10 DHCDMN C[C@H](O)C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000153250310 1033568217 /nfs/dbraw/zinc/56/82/17/1033568217.db2.gz LQUBFAQJEVFGFU-ZFWWWQNUSA-N 0 1 319.832 3.690 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCN2C2CCCC2)ccc2ccccc21 ZINC000862522903 1033872186 /nfs/dbraw/zinc/87/21/86/1033872186.db2.gz LCWHBFALEWGAMI-SFHVURJKSA-N 0 1 310.441 3.652 20 10 DHCDMN CN(C)c1ccc(/C=C\CN2CCc3c(O)cccc3C2)cc1 ZINC000862530278 1033875523 /nfs/dbraw/zinc/87/55/23/1033875523.db2.gz YMEUJPURWQWDOS-PLNGDYQASA-N 0 1 308.425 3.530 20 10 DHCDMN [O-]c1c(C[NH2+]CCOC2CCSCC2)ccc2ccccc21 ZINC000898441209 1034019779 /nfs/dbraw/zinc/01/97/79/1034019779.db2.gz PBNOEWYJJQIBJA-UHFFFAOYSA-N 0 1 317.454 3.547 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1ccccn1 ZINC000184845990 1034504610 /nfs/dbraw/zinc/50/46/10/1034504610.db2.gz KLWOQJWIARPEAX-WDEREUQCSA-N 0 1 321.218 3.962 20 10 DHCDMN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000184872130 1034506427 /nfs/dbraw/zinc/50/64/27/1034506427.db2.gz OELTWLMDHFILHK-ZDUSSCGKSA-N 0 1 307.825 3.600 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000184998906 1034518141 /nfs/dbraw/zinc/51/81/41/1034518141.db2.gz QGOCZFZXJGXRBG-GJZGRUSLSA-N 0 1 314.404 3.708 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCCNc2ccccc2)c(Cl)c1 ZINC001177905859 1035398074 /nfs/dbraw/zinc/39/80/74/1035398074.db2.gz UIEZPPOKAAEXMQ-UHFFFAOYSA-N 0 1 304.821 3.946 20 10 DHCDMN CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC001179958403 1035562219 /nfs/dbraw/zinc/56/22/19/1035562219.db2.gz ZNGPGHSFFAXTKP-ZBFHGGJFSA-N 0 1 315.816 3.820 20 10 DHCDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001180349720 1035649637 /nfs/dbraw/zinc/64/96/37/1035649637.db2.gz PHYKZTOAXSARJY-UHFFFAOYSA-N 0 1 311.759 3.998 20 10 DHCDMN C[Si](C)(C)C[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279374 1035753734 /nfs/dbraw/zinc/75/37/34/1035753734.db2.gz WQVHIOWWLDQXNC-UHFFFAOYSA-N 0 1 315.489 3.977 20 10 DHCDMN C[Si](C)(C)C[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204279374 1035753742 /nfs/dbraw/zinc/75/37/42/1035753742.db2.gz WQVHIOWWLDQXNC-UHFFFAOYSA-N 0 1 315.489 3.977 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452425 1036009715 /nfs/dbraw/zinc/00/97/15/1036009715.db2.gz WDQWSJUDGXDONV-SECBINFHSA-N 0 1 309.278 3.888 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452425 1036009727 /nfs/dbraw/zinc/00/97/27/1036009727.db2.gz WDQWSJUDGXDONV-SECBINFHSA-N 0 1 309.278 3.888 20 10 DHCDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160661 1036207560 /nfs/dbraw/zinc/20/75/60/1036207560.db2.gz ZBINBKFRUJBJNB-NXEZZACHSA-N 0 1 305.249 3.690 20 10 DHCDMN CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCC[C@@H]1C ZINC001195358061 1036227430 /nfs/dbraw/zinc/22/74/30/1036227430.db2.gz KCKWXYFIFGUPRR-HOTGVXAUSA-N 0 1 319.445 3.584 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000775652191 1036230221 /nfs/dbraw/zinc/23/02/21/1036230221.db2.gz HIBRLBCJRCYTIY-UHFFFAOYSA-N 0 1 324.739 3.725 20 10 DHCDMN Cc1ccc(C[N@H+](Cc2cc(F)c(F)cc2[O-])CC2CC2)cn1 ZINC001182556791 1036374178 /nfs/dbraw/zinc/37/41/78/1036374178.db2.gz ZYHQKXWPDKLQDZ-UHFFFAOYSA-N 0 1 318.367 3.786 20 10 DHCDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775692531 1036469136 /nfs/dbraw/zinc/46/91/36/1036469136.db2.gz LFWUVSYCAVVQCP-NSHDSACASA-N 0 1 323.795 3.953 20 10 DHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cncs1 ZINC000163598003 1036903086 /nfs/dbraw/zinc/90/30/86/1036903086.db2.gz ATTCGLASVUJCGD-ZDUSSCGKSA-N 0 1 319.499 3.547 20 10 DHCDMN CCC(CC)[N@@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235303159 1036970616 /nfs/dbraw/zinc/97/06/16/1036970616.db2.gz LPACRQLNONMSDN-UHFFFAOYSA-N 0 1 304.203 3.914 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000716479923 1036981878 /nfs/dbraw/zinc/98/18/78/1036981878.db2.gz DLMOWHNHZRPROK-UHFFFAOYSA-N 0 1 304.217 3.700 20 10 DHCDMN COc1c(C)cnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775834115 1036995134 /nfs/dbraw/zinc/99/51/34/1036995134.db2.gz PPLDFAHYMBOLLZ-OAHLLOKOSA-N 0 1 313.445 3.624 20 10 DHCDMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774911344 1037206157 /nfs/dbraw/zinc/20/61/57/1037206157.db2.gz YYSFZFKMVLZCNE-TZMCWYRMSA-N 0 1 322.405 3.710 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825529578 1037338142 /nfs/dbraw/zinc/33/81/42/1037338142.db2.gz FFYNPSLSHGNDHU-IAGOWNOFSA-N 0 1 309.837 3.649 20 10 DHCDMN CCO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000775028495 1037430305 /nfs/dbraw/zinc/43/03/05/1037430305.db2.gz RLYDFOUGZLLQIG-KRWDZBQOSA-N 0 1 305.805 3.913 20 10 DHCDMN COc1ccc(OC)c([C@@H](C)NCc2ccc(OC)c(C)c2)c1 ZINC000029656438 1037867037 /nfs/dbraw/zinc/86/70/37/1037867037.db2.gz BSPZFDOIKAWYSN-CQSZACIVSA-N 0 1 315.413 3.872 20 10 DHCDMN CC(C)[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(N(C)C)cc1 ZINC000917074818 1038163349 /nfs/dbraw/zinc/16/33/49/1038163349.db2.gz GYJRUTQNYBEXPO-UHFFFAOYSA-N 0 1 322.456 3.811 20 10 DHCDMN CC(C)N(Cc1cn2ccccc2n1)Cc1ccc(N(C)C)cc1 ZINC000917074818 1038163356 /nfs/dbraw/zinc/16/33/56/1038163356.db2.gz GYJRUTQNYBEXPO-UHFFFAOYSA-N 0 1 322.456 3.811 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Cl)ccc1[O-] ZINC000775491866 1038566491 /nfs/dbraw/zinc/56/64/91/1038566491.db2.gz IJPHFDOIZXESFK-OAHLLOKOSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493365 1038577922 /nfs/dbraw/zinc/57/79/22/1038577922.db2.gz YWXILCPHDADFBJ-OAHLLOKOSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775508672 1038592332 /nfs/dbraw/zinc/59/23/32/1038592332.db2.gz DWVQIPHAWHOCPT-JMGFVUJMSA-N 0 1 309.837 3.900 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503669 1038598426 /nfs/dbraw/zinc/59/84/26/1038598426.db2.gz LZIQBYXFPHVROO-GDBMZVCRSA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775522632 1038632329 /nfs/dbraw/zinc/63/23/29/1038632329.db2.gz WIXXXSZYAFOYIZ-BONVTDFDSA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)ccc1[O-] ZINC000775522632 1038632333 /nfs/dbraw/zinc/63/23/33/1038632333.db2.gz WIXXXSZYAFOYIZ-BONVTDFDSA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775522634 1038633645 /nfs/dbraw/zinc/63/36/45/1038633645.db2.gz WIXXXSZYAFOYIZ-ZUZCIYMTSA-N 0 1 307.825 3.749 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cc(Cl)ccc1[O-] ZINC000775522634 1038633650 /nfs/dbraw/zinc/63/36/50/1038633650.db2.gz WIXXXSZYAFOYIZ-ZUZCIYMTSA-N 0 1 307.825 3.749 20 10 DHCDMN COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])ccn1 ZINC000171140495 1039280812 /nfs/dbraw/zinc/28/08/12/1039280812.db2.gz DMBNVDRIDPCCBF-CYBMUJFWSA-N 0 1 308.381 3.800 20 10 DHCDMN C[C@@H](CCc1ccco1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227434800 1040258940 /nfs/dbraw/zinc/25/89/40/1040258940.db2.gz UNWWTRPILSMFEW-NSHDSACASA-N 0 1 324.218 3.859 20 10 DHCDMN Cc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227434752 1040260007 /nfs/dbraw/zinc/26/00/07/1040260007.db2.gz OCPPLROMFLGHGW-UHFFFAOYSA-N 0 1 306.203 3.753 20 10 DHCDMN CCC[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000784164800 1040689427 /nfs/dbraw/zinc/68/94/27/1040689427.db2.gz XPBJWGXCVXPLKT-UHFFFAOYSA-N 0 1 307.434 3.726 20 10 DHCDMN CCC[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC000784164800 1040689432 /nfs/dbraw/zinc/68/94/32/1040689432.db2.gz XPBJWGXCVXPLKT-UHFFFAOYSA-N 0 1 307.434 3.726 20 10 DHCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272226426 130010110 /nfs/dbraw/zinc/01/01/10/130010110.db2.gz CZFYISMDOWKFSF-CYBMUJFWSA-N 0 1 301.361 3.529 20 10 DHCDMN Cc1noc(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000273443580 130122145 /nfs/dbraw/zinc/12/21/45/130122145.db2.gz DRTDSACVCZQMSL-LBPRGKRZSA-N 0 1 311.385 3.520 20 10 DHCDMN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273618454 130145145 /nfs/dbraw/zinc/14/51/45/130145145.db2.gz YJIFWPWHGBHVID-BDAKNGLRSA-N 0 1 311.731 3.664 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC(CO)CC1 ZINC000290322003 334172403 /nfs/dbraw/zinc/17/24/03/334172403.db2.gz DAPMDKKGQKGEGW-UHFFFAOYSA-N 0 1 318.244 3.682 20 10 DHCDMN CN1CCc2cc(CN[C@H](c3ncc[nH]3)C3CCCCC3)ccc21 ZINC000367620998 336826813 /nfs/dbraw/zinc/82/68/13/336826813.db2.gz RPMHIPUAJOYXTD-IBGZPJMESA-N 0 1 324.472 3.813 20 10 DHCDMN C[C@H](N[C@@H]1COc2c1cccc2Cl)c1cc(F)ccc1O ZINC000375242904 337006522 /nfs/dbraw/zinc/00/65/22/337006522.db2.gz ROXBDZNJDNOKJU-LKFCYVNXSA-N 0 1 307.752 3.969 20 10 DHCDMN C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1ccccc1O ZINC000376563426 337036916 /nfs/dbraw/zinc/03/69/16/337036916.db2.gz TXIHYYSBJCCKDL-CABCVRRESA-N 0 1 307.397 3.990 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000377692529 337058593 /nfs/dbraw/zinc/05/85/93/337058593.db2.gz JDIPYTDWXIGRLF-AWEZNQCLSA-N 0 1 306.768 3.917 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000186113217 337253824 /nfs/dbraw/zinc/25/38/24/337253824.db2.gz RLKSYVCSXOULTB-HUUCEWRRSA-N 0 1 322.412 3.693 20 10 DHCDMN C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)[C@@H]1C1CC1 ZINC000529391296 340753835 /nfs/dbraw/zinc/75/38/35/340753835.db2.gz FJKRITGUHPWPPX-WCDAPOTHSA-N 0 1 314.212 3.607 20 10 DHCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1[O-] ZINC000182349297 518287324 /nfs/dbraw/zinc/28/73/24/518287324.db2.gz UJSOJQFLGOBCBX-LBPRGKRZSA-N 0 1 301.361 3.893 20 10 DHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000365032757 523304658 /nfs/dbraw/zinc/30/46/58/523304658.db2.gz XINTYQZTFPGSDE-OAHLLOKOSA-N 0 1 302.805 3.950 20 10 DHCDMN CN(Cc1cn(C)nc1C1CCCCC1)Cc1ccccc1O ZINC000183005696 523491464 /nfs/dbraw/zinc/49/14/64/523491464.db2.gz LQEBPAQFGUWRKG-UHFFFAOYSA-N 0 1 313.445 3.805 20 10 DHCDMN Cc1cccc(CN[C@H](COCC(C)C)c2ccco2)c1O ZINC000181376511 524440512 /nfs/dbraw/zinc/44/05/12/524440512.db2.gz KPHGZYRNZPQTMY-MRXNPFEDSA-N 0 1 303.402 3.797 20 10 DHCDMN COC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563840 536879374 /nfs/dbraw/zinc/87/93/74/536879374.db2.gz IVZPOJOTDOYPMB-HOCLYGCPSA-N 0 1 303.402 3.949 20 10 DHCDMN CC(C)(C)CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756381640 955263596 /nfs/dbraw/zinc/26/35/96/955263596.db2.gz ILUUBYLUMFJIMD-LLVKDONJSA-N 0 1 317.788 3.554 20 10 DHCDMN CCCN(CCC)c1ccc(CN[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000894771823 1013481476 /nfs/dbraw/zinc/48/14/76/1013481476.db2.gz XPEUTVZBSXDNAZ-AWEZNQCLSA-N 0 1 315.465 3.590 20 10 DHCDMN CC1(C)CN(Cc2cc(F)cc(F)c2O)[C@H]1c1cccnc1 ZINC000894834486 1013521417 /nfs/dbraw/zinc/52/14/17/1013521417.db2.gz QTNIYIJCEABAFS-INIZCTEOSA-N 0 1 304.340 3.649 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cnc(Cl)c(F)c2)cc1 ZINC000846771465 1032077312 /nfs/dbraw/zinc/07/73/12/1032077312.db2.gz KABSQTQMYZVMLK-UHFFFAOYSA-N 0 1 307.800 3.572 20 10 DHCDMN CCCCOC(=O)[C@H](C)N(Cc1ccccc1O)C1CCCC1 ZINC001167353750 1014032136 /nfs/dbraw/zinc/03/21/36/1014032136.db2.gz NWTDTESJRWCAOA-HNNXBMFYSA-N 0 1 319.445 3.869 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc4c(c3)CCC4)cc2)CC1 ZINC001167434733 1014353346 /nfs/dbraw/zinc/35/33/46/1014353346.db2.gz UUBBNXWQCFYODR-UHFFFAOYSA-N 0 1 321.468 3.539 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000706822052 1014621716 /nfs/dbraw/zinc/62/17/16/1014621716.db2.gz WRFIIQROQZDBRZ-QIMFLAQGSA-N 0 1 310.235 3.823 20 10 DHCDMN CC(C)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000895156063 1014665217 /nfs/dbraw/zinc/66/52/17/1014665217.db2.gz RHXZOAMBXNQPGH-UHFFFAOYSA-N 0 1 304.821 3.929 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000707129662 1015085660 /nfs/dbraw/zinc/08/56/60/1015085660.db2.gz ORWUPFJJXVHIQG-TXEJJXNPSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000707129662 1015085664 /nfs/dbraw/zinc/08/56/64/1015085664.db2.gz ORWUPFJJXVHIQG-TXEJJXNPSA-N 0 1 310.235 3.777 20 10 DHCDMN Oc1cccc(Br)c1CN1CCc2ccccc2C1 ZINC000707157684 1015133876 /nfs/dbraw/zinc/13/38/76/1015133876.db2.gz ORWRCKHMEBTUSL-UHFFFAOYSA-N 0 1 318.214 3.713 20 10 DHCDMN Oc1c(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581809 1015218625 /nfs/dbraw/zinc/21/86/25/1015218625.db2.gz OLRHJPPRDMGZES-OAHLLOKOSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1c(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581809 1015218636 /nfs/dbraw/zinc/21/86/36/1015218636.db2.gz OLRHJPPRDMGZES-OAHLLOKOSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc2ccccc21 ZINC000895581809 1015218643 /nfs/dbraw/zinc/21/86/43/1015218643.db2.gz OLRHJPPRDMGZES-OAHLLOKOSA-N 0 1 310.422 3.991 20 10 DHCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227091 1015513976 /nfs/dbraw/zinc/51/39/76/1015513976.db2.gz JWQIUHORBCZFNE-LBPRGKRZSA-N 0 1 323.717 3.912 20 10 DHCDMN CN(Cc1cnc(CC(F)(F)F)s1)Cc1ccccc1O ZINC000891714322 1015563178 /nfs/dbraw/zinc/56/31/78/1015563178.db2.gz WLNLZYIATIQXJU-UHFFFAOYSA-N 0 1 316.348 3.586 20 10 DHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)C2CCCCC2)c1C(=O)[O-] ZINC001598505443 992496098 /nfs/dbraw/zinc/49/60/98/992496098.db2.gz JBMBDQPUXATNLT-UHFFFAOYSA-N 0 1 318.392 3.780 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCc3ncsc3C2)cc1C(C)C ZINC000783543911 1015789614 /nfs/dbraw/zinc/78/96/14/1015789614.db2.gz SRKPKFRQRDNQTL-UHFFFAOYSA-N 0 1 302.443 3.839 20 10 DHCDMN Cc1cc(O)c(CN2CCc3ncsc3C2)cc1C(C)C ZINC000783543911 1015789619 /nfs/dbraw/zinc/78/96/19/1015789619.db2.gz SRKPKFRQRDNQTL-UHFFFAOYSA-N 0 1 302.443 3.839 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccccc3)on2)c1 ZINC000185302003 1016834193 /nfs/dbraw/zinc/83/41/93/1016834193.db2.gz PTOOBYCRTSKGGD-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2c(F)cccc2OC)c1 ZINC000185566701 1017015441 /nfs/dbraw/zinc/01/54/41/1017015441.db2.gz NURZQKQGXVFRGW-VXGBXAGGSA-N 0 1 319.376 3.960 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185652405 1017079944 /nfs/dbraw/zinc/07/99/44/1017079944.db2.gz AKZNWZBZBYTWRF-CRAIPNDOSA-N 0 1 321.420 3.972 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506277 1032542767 /nfs/dbraw/zinc/54/27/67/1032542767.db2.gz JUPWUOCBZAOHHU-YGRLFVJLSA-N 0 1 316.228 3.700 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccc2)c1[O-] ZINC000050132558 1017117622 /nfs/dbraw/zinc/11/76/22/1017117622.db2.gz GIANKZFYUMCADY-UHFFFAOYSA-N 0 1 303.789 3.880 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2)c1[O-] ZINC000050132558 1017117629 /nfs/dbraw/zinc/11/76/29/1017117629.db2.gz GIANKZFYUMCADY-UHFFFAOYSA-N 0 1 303.789 3.880 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000840858431 1017206203 /nfs/dbraw/zinc/20/62/03/1017206203.db2.gz ABEPVPQCFWKHCQ-KKZNHRDASA-N 0 1 316.264 3.699 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921530 1017483333 /nfs/dbraw/zinc/48/33/33/1017483333.db2.gz VEVKZOLFICSJRA-ZIAGYGMSSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840921530 1017483339 /nfs/dbraw/zinc/48/33/39/1017483339.db2.gz VEVKZOLFICSJRA-ZIAGYGMSSA-N 0 1 309.837 3.603 20 10 DHCDMN CC(=O)c1cc(F)cc(CN2CCC(OC(C)(C)C)CC2)c1O ZINC000119050914 1017544216 /nfs/dbraw/zinc/54/42/16/1017544216.db2.gz RSFFVZFDPPQGAD-UHFFFAOYSA-N 0 1 323.408 3.513 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1OC(F)F ZINC000021045972 1017573659 /nfs/dbraw/zinc/57/36/59/1017573659.db2.gz JSMMJQHGMZZIEN-UHFFFAOYSA-N 0 1 313.731 3.937 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC[C@H]1CCCS1 ZINC000715681570 1018741924 /nfs/dbraw/zinc/74/19/24/1018741924.db2.gz VHKIOXVIHVIUOJ-GFCCVEGCSA-N 0 1 316.264 3.530 20 10 DHCDMN Cc1cc(N(C)C)ccc1CNCc1nccc2c1CCCC2 ZINC000921746017 1018749318 /nfs/dbraw/zinc/74/93/18/1018749318.db2.gz BKDFDJACIKJYAV-UHFFFAOYSA-N 0 1 309.457 3.625 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(C(F)F)CC1 ZINC000707129763 1018784107 /nfs/dbraw/zinc/78/41/07/1018784107.db2.gz RXPRMXRWLVBPMV-UHFFFAOYSA-N 0 1 320.177 3.632 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CCC(F)CC1 ZINC000858184071 1032792974 /nfs/dbraw/zinc/79/29/74/1032792974.db2.gz IHAIZLPWYBDDLA-UHFFFAOYSA-N 0 1 316.214 3.773 20 10 DHCDMN CCCC[N@@H+](CC)Cc1cc(Br)cc(F)c1[O-] ZINC000715710955 1018945494 /nfs/dbraw/zinc/94/54/94/1018945494.db2.gz AMCIMBWRANJXGE-UHFFFAOYSA-N 0 1 304.203 3.916 20 10 DHCDMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715718468 1018949770 /nfs/dbraw/zinc/94/97/70/1018949770.db2.gz NSUQYEANYDVUJZ-NXEZZACHSA-N 0 1 316.214 3.914 20 10 DHCDMN COc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)c(F)c1 ZINC000765610958 1019000476 /nfs/dbraw/zinc/00/04/76/1019000476.db2.gz ZLUCVXKLQPOIRF-LBPRGKRZSA-N 0 1 301.361 3.620 20 10 DHCDMN CSCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134922254 1019053244 /nfs/dbraw/zinc/05/32/44/1019053244.db2.gz MWKXSEMGGCLOFZ-SECBINFHSA-N 0 1 304.253 3.558 20 10 DHCDMN CCOc1cccc(CNC(C)(C)c2nc(C)c(C)s2)c1O ZINC000076904599 1019191849 /nfs/dbraw/zinc/19/18/49/1019191849.db2.gz REZFWNUPFVXWPL-UHFFFAOYSA-N 0 1 320.458 3.889 20 10 DHCDMN CCn1cncc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000858295076 1032834430 /nfs/dbraw/zinc/83/44/30/1032834430.db2.gz UWVFSMPQNSMAHB-UHFFFAOYSA-N 0 1 308.429 3.600 20 10 DHCDMN FC(F)(F)c1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000922155704 1019556018 /nfs/dbraw/zinc/55/60/18/1019556018.db2.gz BFCSNZMJMWNCEE-UHFFFAOYSA-N 0 1 322.330 3.715 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1[O-] ZINC000926936743 1032857056 /nfs/dbraw/zinc/85/70/56/1032857056.db2.gz MJELBKCAALAJIY-CQJJVWNLSA-N 0 1 307.821 3.677 20 10 DHCDMN CCC[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCCO1 ZINC000730256022 1019969769 /nfs/dbraw/zinc/96/97/69/1019969769.db2.gz QRYCSLXZYOWERJ-INIZCTEOSA-N 0 1 314.429 3.722 20 10 DHCDMN CCC[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCCCO1 ZINC000730256022 1019969774 /nfs/dbraw/zinc/96/97/74/1019969774.db2.gz QRYCSLXZYOWERJ-INIZCTEOSA-N 0 1 314.429 3.722 20 10 DHCDMN [O-]c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1Cl ZINC000922328832 1020006725 /nfs/dbraw/zinc/00/67/25/1020006725.db2.gz SVNKMQWFHHSWEZ-UHFFFAOYSA-N 0 1 303.789 3.660 20 10 DHCDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)c(Cl)n1 ZINC000922333630 1020013533 /nfs/dbraw/zinc/01/35/33/1020013533.db2.gz UFACECVNJQOVPA-UHFFFAOYSA-N 0 1 302.805 3.658 20 10 DHCDMN CCOCC[N@H+](CC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000730801898 1020027475 /nfs/dbraw/zinc/02/74/75/1020027475.db2.gz RGMMUTIOWPCXND-UHFFFAOYSA-N 0 1 317.429 3.876 20 10 DHCDMN CCOCC[N@@H+](CC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000730801898 1020027489 /nfs/dbraw/zinc/02/74/89/1020027489.db2.gz RGMMUTIOWPCXND-UHFFFAOYSA-N 0 1 317.429 3.876 20 10 DHCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(OC)n2)cc1 ZINC000733026187 1020315815 /nfs/dbraw/zinc/31/58/15/1020315815.db2.gz GVIIEBGGLDWKQM-UHFFFAOYSA-N 0 1 313.445 3.568 20 10 DHCDMN COc1cccc(F)c1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000378879923 1020522942 /nfs/dbraw/zinc/52/29/42/1020522942.db2.gz FLICZBIBHRSFCU-CYBMUJFWSA-N 0 1 302.393 3.751 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cc(Cl)ccc1[O-] ZINC001116648557 1020602920 /nfs/dbraw/zinc/60/29/20/1020602920.db2.gz YIHLKMCIMQUOBD-MEBBXXQBSA-N 0 1 307.825 3.889 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000282130974 1020867885 /nfs/dbraw/zinc/86/78/85/1020867885.db2.gz BKPGJGNBAMSTEV-JOYOIKCWSA-N 0 1 304.217 3.698 20 10 DHCDMN Cc1cc([C@H](C)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC000858544102 1032941875 /nfs/dbraw/zinc/94/18/75/1032941875.db2.gz YPHOZBCZNIWOGK-INIZCTEOSA-N 0 1 322.456 3.987 20 10 DHCDMN CCOCc1cc(CNCc2c(C)cccc2F)ccc1OC ZINC000742380526 1021108997 /nfs/dbraw/zinc/10/89/97/1021108997.db2.gz NJRJWKDSZVCRAS-UHFFFAOYSA-N 0 1 317.404 3.969 20 10 DHCDMN Cc1ccccc1O[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000742378801 1021115261 /nfs/dbraw/zinc/11/52/61/1021115261.db2.gz BHETYGGUDVACAM-ZDUSSCGKSA-N 0 1 305.805 3.911 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428769 1021264616 /nfs/dbraw/zinc/26/46/16/1021264616.db2.gz XKNSMJPPPRAJBV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428769 1021264628 /nfs/dbraw/zinc/26/46/28/1021264628.db2.gz XKNSMJPPPRAJBV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H](C)CO1 ZINC000917428769 1021264636 /nfs/dbraw/zinc/26/46/36/1021264636.db2.gz XKNSMJPPPRAJBV-QWHCGFSZSA-N 0 1 315.413 3.626 20 10 DHCDMN Oc1ccc2ccncc2c1CN1CCOC[C@H]1c1ccccc1 ZINC000743402690 1021285056 /nfs/dbraw/zinc/28/50/56/1021285056.db2.gz MIFWJIMBUMZHCX-IBGZPJMESA-N 0 1 320.392 3.514 20 10 DHCDMN CN(C)c1ccc(CN(Cc2cccc(Cl)n2)C2CC2)cc1 ZINC000743841185 1021368079 /nfs/dbraw/zinc/36/80/79/1021368079.db2.gz HKNAQUXYYZUABT-UHFFFAOYSA-N 0 1 315.848 3.966 20 10 DHCDMN CCCCc1nc2ccc(NC(=O)Cc3ccc(N)cc3)cc2[nH]1 ZINC000262685323 1021401012 /nfs/dbraw/zinc/40/10/12/1021401012.db2.gz XOAFEKKLFNWSLI-UHFFFAOYSA-N 0 1 322.412 3.669 20 10 DHCDMN CCCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000182317006 1021599061 /nfs/dbraw/zinc/59/90/61/1021599061.db2.gz NWCDLJABLLUWOT-NSHDSACASA-N 0 1 306.431 3.661 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000919954223 1021984541 /nfs/dbraw/zinc/98/45/41/1021984541.db2.gz NTRACXYFPYOXNM-GOSISDBHSA-N 0 1 305.381 3.673 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000919954223 1021984554 /nfs/dbraw/zinc/98/45/54/1021984554.db2.gz NTRACXYFPYOXNM-GOSISDBHSA-N 0 1 305.381 3.673 20 10 DHCDMN CC(=O)c1cc(F)cc(CN2CCC(c3ccco3)CC2)c1O ZINC000852325158 1022105707 /nfs/dbraw/zinc/10/57/07/1022105707.db2.gz YMFMTHANESSZDI-UHFFFAOYSA-N 0 1 317.360 3.707 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586615 1022296408 /nfs/dbraw/zinc/29/64/08/1022296408.db2.gz VCNLZHICIVBWCP-DZGCQCFKSA-N 0 1 323.392 3.760 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3COC[C@H]3C1)oc1ccccc12 ZINC000853586615 1022296414 /nfs/dbraw/zinc/29/64/14/1022296414.db2.gz VCNLZHICIVBWCP-DZGCQCFKSA-N 0 1 323.392 3.760 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCS1 ZINC000691440208 1022694174 /nfs/dbraw/zinc/69/41/74/1022694174.db2.gz OCUJOKMTMQEAGX-ZDUSSCGKSA-N 0 1 316.264 3.530 20 10 DHCDMN CC[C@@H]([NH2+]CCSC)c1cc(Br)ccc1[O-] ZINC000068994276 1022854208 /nfs/dbraw/zinc/85/42/08/1022854208.db2.gz YCRCWFBRVUFKIU-LLVKDONJSA-N 0 1 304.253 3.558 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000767988405 1022856122 /nfs/dbraw/zinc/85/61/22/1022856122.db2.gz FOHHUUIPFKVKEB-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2cccc(F)c2C1 ZINC000767988405 1022856141 /nfs/dbraw/zinc/85/61/41/1022856141.db2.gz FOHHUUIPFKVKEB-UHFFFAOYSA-N 0 1 308.356 3.638 20 10 DHCDMN CC(C)[N@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768137082 1022904205 /nfs/dbraw/zinc/90/42/05/1022904205.db2.gz GCRARACMIUIGCH-UHFFFAOYSA-N 0 1 317.260 3.615 20 10 DHCDMN COCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000768159390 1022906551 /nfs/dbraw/zinc/90/65/51/1022906551.db2.gz DPBUKVDKTPWOAH-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000768159390 1022906564 /nfs/dbraw/zinc/90/65/64/1022906564.db2.gz DPBUKVDKTPWOAH-UHFFFAOYSA-N 0 1 305.805 3.694 20 10 DHCDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000768171640 1022909507 /nfs/dbraw/zinc/90/95/07/1022909507.db2.gz FXMDYRJYLTUPOA-AEFFLSMTSA-N 0 1 302.462 3.676 20 10 DHCDMN COc1cc(CNC2(c3nc(C)cs3)CCC2)c(O)cc1C ZINC000768465716 1022974375 /nfs/dbraw/zinc/97/43/75/1022974375.db2.gz QTMKWPACHORGLV-UHFFFAOYSA-N 0 1 318.442 3.643 20 10 DHCDMN COc1ccccc1OCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000768822415 1023037621 /nfs/dbraw/zinc/03/76/21/1023037621.db2.gz ILWVGUFZJAFZRV-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN COc1ccccc1OCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000768822415 1023037633 /nfs/dbraw/zinc/03/76/33/1023037633.db2.gz ILWVGUFZJAFZRV-UHFFFAOYSA-N 0 1 321.804 3.565 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914257 1023055701 /nfs/dbraw/zinc/05/57/01/1023055701.db2.gz UPPLFUDZKMDQNX-QLFBSQMISA-N 0 1 322.880 3.883 20 10 DHCDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000768914257 1023055711 /nfs/dbraw/zinc/05/57/11/1023055711.db2.gz UPPLFUDZKMDQNX-QLFBSQMISA-N 0 1 322.880 3.883 20 10 DHCDMN COc1cccc(CN2CCc3cccc(F)c3[C@H]2C)c1O ZINC000769425401 1023147074 /nfs/dbraw/zinc/14/70/74/1023147074.db2.gz PKXBSHGBFWBSJT-GFCCVEGCSA-N 0 1 301.361 3.659 20 10 DHCDMN COc1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000769934704 1023249998 /nfs/dbraw/zinc/24/99/98/1023249998.db2.gz URAMCMRKEGZARG-UHFFFAOYSA-N 0 1 311.381 3.511 20 10 DHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000769930962 1023250219 /nfs/dbraw/zinc/25/02/19/1023250219.db2.gz RCXFMGVATDYVCE-ACJLOTCBSA-N 0 1 318.848 3.827 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000769930965 1023250401 /nfs/dbraw/zinc/25/04/01/1023250401.db2.gz RCXFMGVATDYVCE-UGSOOPFHSA-N 0 1 318.848 3.827 20 10 DHCDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(F)c(F)c1[O-])CCC2 ZINC000876732478 1033129515 /nfs/dbraw/zinc/12/95/15/1033129515.db2.gz XEARPXFIJPQDHK-CYBMUJFWSA-N 0 1 324.396 3.945 20 10 DHCDMN CC(C)[NH+](CCNCc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000021804685 1033131824 /nfs/dbraw/zinc/13/18/24/1033131824.db2.gz JFDWYMNWKOQNOJ-UHFFFAOYSA-N 0 1 319.276 3.907 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788506668 1023898275 /nfs/dbraw/zinc/89/82/75/1023898275.db2.gz XGSFVPYFMUZQOS-OAHLLOKOSA-N 0 1 301.821 3.578 20 10 DHCDMN Fc1cc(CNCc2ccc3c(c2)CCO3)c(F)cc1Cl ZINC000788531684 1023906709 /nfs/dbraw/zinc/90/67/09/1023906709.db2.gz CMBCLAFVZPPTSL-UHFFFAOYSA-N 0 1 309.743 3.843 20 10 DHCDMN COc1nn(C)cc1N[C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000788984290 1023959237 /nfs/dbraw/zinc/95/92/37/1023959237.db2.gz KAYJAABHGORHQO-ZETCQYMHSA-N 0 1 316.188 3.614 20 10 DHCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1F ZINC000125725504 1023969927 /nfs/dbraw/zinc/96/99/27/1023969927.db2.gz UOGZVCOJOFVCCN-UHFFFAOYSA-N 0 1 307.800 3.572 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)nc2)cc1F ZINC000125725504 1023969935 /nfs/dbraw/zinc/96/99/35/1023969935.db2.gz UOGZVCOJOFVCCN-UHFFFAOYSA-N 0 1 307.800 3.572 20 10 DHCDMN C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000130425999 1024160842 /nfs/dbraw/zinc/16/08/42/1024160842.db2.gz RZMBLBDFBJVUPC-QAPCUYQASA-N 0 1 321.420 3.800 20 10 DHCDMN Cc1ccc2nc(CN[C@H](C)c3ccc(N(C)C)cc3)cn2c1 ZINC000268859819 1024182628 /nfs/dbraw/zinc/18/26/28/1024182628.db2.gz JFZZXAMKYLXSGR-OAHLLOKOSA-N 0 1 308.429 3.560 20 10 DHCDMN CC(C)[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)(C)O ZINC000790701815 1024359797 /nfs/dbraw/zinc/35/97/97/1024359797.db2.gz NVRLQAOFYZVDKA-UGSOOPFHSA-N 0 1 301.430 3.992 20 10 DHCDMN C[C@H](NCc1nccn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000790989970 1024413806 /nfs/dbraw/zinc/41/38/06/1024413806.db2.gz GXFVEPWGWZQVCX-INIZCTEOSA-N 0 1 320.440 3.789 20 10 DHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c1[O-] ZINC000883382676 1024416076 /nfs/dbraw/zinc/41/60/76/1024416076.db2.gz LCKIGINVCJEVCQ-GFCCVEGCSA-N 0 1 309.837 3.964 20 10 DHCDMN Cc1nc2cc(NCc3c(O)ccc(Cl)c3F)ccc2n1C ZINC000790980859 1024423577 /nfs/dbraw/zinc/42/35/77/1024423577.db2.gz JBWPTOBAJXSLEY-UHFFFAOYSA-N 0 1 319.767 3.992 20 10 DHCDMN C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1O)C(F)F ZINC000883399189 1024426664 /nfs/dbraw/zinc/42/66/64/1024426664.db2.gz GOYJPUNRKMQDOC-NTSWFWBYSA-N 0 1 312.129 3.598 20 10 DHCDMN Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000271361117 1024495146 /nfs/dbraw/zinc/49/51/46/1024495146.db2.gz NHEOKKAHCQYVOL-MJGOQNOKSA-N 0 1 315.388 3.619 20 10 DHCDMN CC[N@H+](Cc1ccco1)Cc1cc(Br)ccc1[O-] ZINC000133364033 1024628669 /nfs/dbraw/zinc/62/86/69/1024628669.db2.gz CFEILPGQYDFGRF-UHFFFAOYSA-N 0 1 310.191 3.770 20 10 DHCDMN CC[N@@H+](Cc1ccco1)Cc1cc(Br)ccc1[O-] ZINC000133364033 1024628675 /nfs/dbraw/zinc/62/86/75/1024628675.db2.gz CFEILPGQYDFGRF-UHFFFAOYSA-N 0 1 310.191 3.770 20 10 DHCDMN Oc1ccc(Cl)c(F)c1CN1CC=C(C(F)(F)F)CC1 ZINC000792165457 1024641752 /nfs/dbraw/zinc/64/17/52/1024641752.db2.gz GNNBDEFMBAKFNR-UHFFFAOYSA-N 0 1 309.690 3.879 20 10 DHCDMN Brc1ccsc1CNCc1ccc2c(c1)CCO2 ZINC000112838177 1024788063 /nfs/dbraw/zinc/78/80/63/1024788063.db2.gz OQTXMBYAAAZMOW-UHFFFAOYSA-N 0 1 324.243 3.735 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000134787472 1033243384 /nfs/dbraw/zinc/24/33/84/1033243384.db2.gz ANEFTEXOMBKMCO-SPGJAERMSA-N 0 1 307.821 3.654 20 10 DHCDMN C[N@@H+](CC(=O)[O-])Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000000235808 1024986239 /nfs/dbraw/zinc/98/62/39/1024986239.db2.gz GHTPJHCVRABNRC-UHFFFAOYSA-N 0 1 307.434 3.504 20 10 DHCDMN COc1nc2ccccc2cc1CN1CCc2cccc(O)c2C1 ZINC001137207924 1025033256 /nfs/dbraw/zinc/03/32/56/1025033256.db2.gz DAAGQGAOTHHNRE-UHFFFAOYSA-N 0 1 320.392 3.507 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)ccc1[O-] ZINC000229562318 1025063427 /nfs/dbraw/zinc/06/34/27/1025063427.db2.gz VLEYADJVQGIIPI-ZYHUDNBSSA-N 0 1 316.264 3.701 20 10 DHCDMN CCN(Cc1ccnn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000279552843 1025073849 /nfs/dbraw/zinc/07/38/49/1025073849.db2.gz DOJUPNMJQZFVMD-UHFFFAOYSA-N 0 1 300.450 3.552 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H](C)c2cc(C)nn2C)cc1F ZINC000793542061 1025087165 /nfs/dbraw/zinc/08/71/65/1025087165.db2.gz PDEKNVOVGDQZRN-CQSZACIVSA-N 0 1 318.440 3.565 20 10 DHCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1c1cccnc1 ZINC000793566318 1025104325 /nfs/dbraw/zinc/10/43/25/1025104325.db2.gz AEHPSQMKGNATOH-LJQANCHMSA-N 0 1 319.408 3.919 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1c1cccnc1 ZINC000793566318 1025104328 /nfs/dbraw/zinc/10/43/28/1025104328.db2.gz AEHPSQMKGNATOH-LJQANCHMSA-N 0 1 319.408 3.919 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@@H]1c1cccnc1 ZINC000793573408 1025126869 /nfs/dbraw/zinc/12/68/69/1025126869.db2.gz NHTDGAFRIIISON-LJQANCHMSA-N 0 1 308.425 3.859 20 10 DHCDMN CN(Cc1ccc(Cl)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000134814594 1025134611 /nfs/dbraw/zinc/13/46/11/1025134611.db2.gz UNZQDHAYWYIWNC-UHFFFAOYSA-N 0 1 323.751 3.545 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)cc1[O-] ZINC000279902779 1025311611 /nfs/dbraw/zinc/31/16/11/1025311611.db2.gz HERCZYIAQROITL-VHSXEESVSA-N 0 1 316.264 3.558 20 10 DHCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000805232610 1025553132 /nfs/dbraw/zinc/55/31/32/1025553132.db2.gz YVSFELXYFCBIEP-MRVPVSSYSA-N 0 1 317.216 3.687 20 10 DHCDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])s1 ZINC000894014610 1025654869 /nfs/dbraw/zinc/65/48/69/1025654869.db2.gz NLNUMVQDWMPWNH-SECBINFHSA-N 0 1 312.385 3.937 20 10 DHCDMN CC[C@H]([NH2+]CCCN1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806128643 1025793409 /nfs/dbraw/zinc/79/34/09/1025793409.db2.gz UVJGDOSJUIPJQI-INIZCTEOSA-N 0 1 310.869 3.962 20 10 DHCDMN CCC(C)(C)NC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599154 1025935362 /nfs/dbraw/zinc/93/53/62/1025935362.db2.gz ONLIDIHCGJUPDE-UHFFFAOYSA-N 0 1 321.273 3.852 20 10 DHCDMN C[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807839155 1026131225 /nfs/dbraw/zinc/13/12/25/1026131225.db2.gz XZNKNGLONIUOQQ-BDAKNGLRSA-N 0 1 302.201 3.751 20 10 DHCDMN COC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000808453684 1026292930 /nfs/dbraw/zinc/29/29/30/1026292930.db2.gz JLJNIMYQKHTOSV-SFHVURJKSA-N 0 1 318.848 3.883 20 10 DHCDMN COc1cc(C)cc(CN[C@H](C)c2c(F)cccc2F)c1O ZINC000894196739 1026340331 /nfs/dbraw/zinc/34/03/31/1026340331.db2.gz AMENUFPEZLSTPR-LLVKDONJSA-N 0 1 307.340 3.838 20 10 DHCDMN CCc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])o1 ZINC000809713552 1026601631 /nfs/dbraw/zinc/60/16/31/1026601631.db2.gz SSMALRKSINFOGS-UHFFFAOYSA-N 0 1 310.191 3.600 20 10 DHCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000809767588 1026605888 /nfs/dbraw/zinc/60/58/88/1026605888.db2.gz OWIZJKYWQWHOAW-NSHDSACASA-N 0 1 318.280 3.728 20 10 DHCDMN Oc1cc(CNCc2ccc3c(c2)CCO3)cc(C(F)(F)F)c1 ZINC000810141240 1026688118 /nfs/dbraw/zinc/68/81/18/1026688118.db2.gz PFQCKGWSMOAXBM-UHFFFAOYSA-N 0 1 323.314 3.636 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213522 1026707185 /nfs/dbraw/zinc/70/71/85/1026707185.db2.gz UQOUUKVQEWXOJR-OCCSQVGLSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215604 1026708757 /nfs/dbraw/zinc/70/87/57/1026708757.db2.gz HXSYCTBGUCNZHP-CYBMUJFWSA-N 0 1 314.307 3.948 20 10 DHCDMN CC[C@H](CCO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220366 1026712094 /nfs/dbraw/zinc/71/20/94/1026712094.db2.gz WDYQMPVHAREBFH-YPMHNXCESA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227639 1026713452 /nfs/dbraw/zinc/71/34/52/1026713452.db2.gz GRRKLWZJLCWFRN-OBJOEFQTSA-N 0 1 317.351 3.755 20 10 DHCDMN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227872 1026714200 /nfs/dbraw/zinc/71/42/00/1026714200.db2.gz LXHZLKRJQZQDFU-KBPBESRZSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229413 1026715215 /nfs/dbraw/zinc/71/52/15/1026715215.db2.gz XKEGXDYLKZLXDV-NOZJJQNGSA-N 0 1 313.323 3.936 20 10 DHCDMN CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207931 1026717475 /nfs/dbraw/zinc/71/74/75/1026717475.db2.gz POEBJVJIGCLLCK-CQSZACIVSA-N 0 1 318.383 3.794 20 10 DHCDMN CC[C@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237634 1026725286 /nfs/dbraw/zinc/72/52/86/1026725286.db2.gz DEMLQIPKZMEHBU-LBPRGKRZSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238336 1026726040 /nfs/dbraw/zinc/72/60/40/1026726040.db2.gz JFKDNFDLQIFYNP-SUHUHFCYSA-N 0 1 317.351 3.613 20 10 DHCDMN Cc1cn[nH]c1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000811492729 1027012222 /nfs/dbraw/zinc/01/22/22/1027012222.db2.gz AMZNGRZZYDTAJJ-UHFFFAOYSA-N 0 1 307.397 3.934 20 10 DHCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CCC1(F)F ZINC000811512717 1027028591 /nfs/dbraw/zinc/02/85/91/1027028591.db2.gz QJUQAFKTNYZRMF-VIFPVBQESA-N 0 1 320.177 3.632 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513573 1027028682 /nfs/dbraw/zinc/02/86/82/1027028682.db2.gz KMBBPXNAZBWVOS-HNNXBMFYSA-N 0 1 322.246 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513573 1027028686 /nfs/dbraw/zinc/02/86/86/1027028686.db2.gz KMBBPXNAZBWVOS-HNNXBMFYSA-N 0 1 322.246 3.919 20 10 DHCDMN CCN(CC)c1ccc(CN2CCCC[C@@H](F)C2)c(OC)c1 ZINC001138386820 1027456544 /nfs/dbraw/zinc/45/65/44/1027456544.db2.gz XIQVGIOUOGIQTO-MRXNPFEDSA-N 0 1 308.441 3.865 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747831506 1027492159 /nfs/dbraw/zinc/49/21/59/1027492159.db2.gz ZVWFTXDUFZJOMX-DLBZAZTESA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747831506 1027492168 /nfs/dbraw/zinc/49/21/68/1027492168.db2.gz ZVWFTXDUFZJOMX-DLBZAZTESA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747831506 1027492173 /nfs/dbraw/zinc/49/21/73/1027492173.db2.gz ZVWFTXDUFZJOMX-DLBZAZTESA-N 0 1 311.425 3.794 20 10 DHCDMN Oc1ccc(F)cc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000778988639 1027719117 /nfs/dbraw/zinc/71/91/17/1027719117.db2.gz IWMHPVVEYYPTMO-UHFFFAOYSA-N 0 1 320.795 3.507 20 10 DHCDMN C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])CN(C)C ZINC000813877041 1027746750 /nfs/dbraw/zinc/74/67/50/1027746750.db2.gz JADIMFPOHLEYCW-NXEZZACHSA-N 0 1 305.249 3.547 20 10 DHCDMN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC001170727691 1027894699 /nfs/dbraw/zinc/89/46/99/1027894699.db2.gz OUZLVRCMEZWEFP-CLLJXQQHSA-N 0 1 310.235 3.679 20 10 DHCDMN Cc1cc(Cl)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814169925 1027925111 /nfs/dbraw/zinc/92/51/11/1027925111.db2.gz ONDQNUDIIUQPIT-MRXNPFEDSA-N 0 1 311.853 3.631 20 10 DHCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1c1ccncc1 ZINC000814227898 1027961192 /nfs/dbraw/zinc/96/11/92/1027961192.db2.gz OSRCMVMKJUDOIJ-LJQANCHMSA-N 0 1 319.408 3.919 20 10 DHCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1c1ccncc1 ZINC000814227898 1027961207 /nfs/dbraw/zinc/96/12/07/1027961207.db2.gz OSRCMVMKJUDOIJ-LJQANCHMSA-N 0 1 319.408 3.919 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365623109 1027986139 /nfs/dbraw/zinc/98/61/39/1027986139.db2.gz PQZXSOBAFFXADT-NJAFHUGGSA-N 0 1 301.430 3.877 20 10 DHCDMN CC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000779044277 1028021882 /nfs/dbraw/zinc/02/18/82/1028021882.db2.gz OQBNMVBIUJUDPJ-QGZVFWFLSA-N 0 1 313.420 3.844 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000528002714 1028028502 /nfs/dbraw/zinc/02/85/02/1028028502.db2.gz QLFYBCASHQUNPC-SWLSCSKDSA-N 0 1 308.853 3.713 20 10 DHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC000367698238 1028227002 /nfs/dbraw/zinc/22/70/02/1028227002.db2.gz DVLGWXQVQIMQJO-UHFFFAOYSA-N 0 1 313.800 3.576 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368214695 1028318037 /nfs/dbraw/zinc/31/80/37/1028318037.db2.gz ZUYPNPYEHAQDFI-HZMBPMFUSA-N 0 1 305.324 3.763 20 10 DHCDMN Cc1cc(CN(C)Cc2nc3ccccc3o2)ccc1N(C)C ZINC000815073299 1028350711 /nfs/dbraw/zinc/35/07/11/1028350711.db2.gz IVFZOUFOJPXYFF-UHFFFAOYSA-N 0 1 309.413 3.834 20 10 DHCDMN COc1ccc(F)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000815135757 1028393260 /nfs/dbraw/zinc/39/32/60/1028393260.db2.gz GTPDFRRBABOOEV-ZDUSSCGKSA-N 0 1 302.393 3.751 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000187831348 1028477349 /nfs/dbraw/zinc/47/73/49/1028477349.db2.gz PRWGOIHYRDLQNF-ZHRRBRCNSA-N 0 1 324.534 3.512 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2c(F)cc(F)cc2F)c1 ZINC000815650604 1028595168 /nfs/dbraw/zinc/59/51/68/1028595168.db2.gz WRCLSOOZDNODLI-SECBINFHSA-N 0 1 311.303 3.669 20 10 DHCDMN COc1ccc(O)c(CN2CCSC[C@@H]2c2cccs2)c1 ZINC000371426423 1028709470 /nfs/dbraw/zinc/70/94/70/1028709470.db2.gz XGZGQSSZPHHGFM-CQSZACIVSA-N 0 1 321.467 3.752 20 10 DHCDMN CC[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000372336761 1028838495 /nfs/dbraw/zinc/83/84/95/1028838495.db2.gz JNXBPSBBSNEQSF-KBPBESRZSA-N 0 1 305.324 3.845 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000816504229 1028909559 /nfs/dbraw/zinc/90/95/59/1028909559.db2.gz DRWVRXQEMGVWMF-UHFFFAOYSA-N 0 1 323.795 3.569 20 10 DHCDMN COCc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816535022 1028924477 /nfs/dbraw/zinc/92/44/77/1028924477.db2.gz CGCHJSJQAWYKST-UHFFFAOYSA-N 0 1 307.393 3.982 20 10 DHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCC(C)CC1 ZINC000816544002 1028926314 /nfs/dbraw/zinc/92/63/14/1028926314.db2.gz VIACLELQGFMXRS-INIZCTEOSA-N 0 1 312.457 3.755 20 10 DHCDMN Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549475 1028929144 /nfs/dbraw/zinc/92/91/44/1028929144.db2.gz OZZYGQQMOAVLOY-IBGZPJMESA-N 0 1 307.393 3.677 20 10 DHCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589763 1028939871 /nfs/dbraw/zinc/93/98/71/1028939871.db2.gz HOZWCKBVARCPCX-INIZCTEOSA-N 0 1 315.816 3.558 20 10 DHCDMN [O-]c1c(C[NH2+]CC2(CCO)CCCCC2)ccc2ccccc21 ZINC000816554741 1028942081 /nfs/dbraw/zinc/94/20/81/1028942081.db2.gz IBUNFOKZQXUZET-UHFFFAOYSA-N 0 1 313.441 3.968 20 10 DHCDMN CC(C)C[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554032 1028942679 /nfs/dbraw/zinc/94/26/79/1028942679.db2.gz NGFQSXYQMFDNAF-HNNXBMFYSA-N 0 1 301.430 3.680 20 10 DHCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816560438 1028943952 /nfs/dbraw/zinc/94/39/52/1028943952.db2.gz OYDZUZWKHIPSQV-ZWKOTPCHSA-N 0 1 313.441 3.774 20 10 DHCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000816560438 1028943960 /nfs/dbraw/zinc/94/39/60/1028943960.db2.gz OYDZUZWKHIPSQV-ZWKOTPCHSA-N 0 1 313.441 3.774 20 10 DHCDMN C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCO[C@H]1C1CC1 ZINC000816570802 1028949666 /nfs/dbraw/zinc/94/96/66/1028949666.db2.gz HUOIAOLMEHJSKF-PMACEKPBSA-N 0 1 311.425 3.840 20 10 DHCDMN [O-]c1c(C[NH2+][C@H](CCO)Cc2ccccc2)ccc2ccccc21 ZINC000816599805 1028957457 /nfs/dbraw/zinc/95/74/57/1028957457.db2.gz ZDXHEAYWGYVPPZ-LJQANCHMSA-N 0 1 321.420 3.629 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617099 1028964048 /nfs/dbraw/zinc/96/40/48/1028964048.db2.gz OYDIBAGKLHTCCZ-GOSISDBHSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc2ccccc21 ZINC000816617099 1028964065 /nfs/dbraw/zinc/96/40/65/1028964065.db2.gz OYDIBAGKLHTCCZ-GOSISDBHSA-N 0 1 311.425 3.794 20 10 DHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(F)F ZINC000816682168 1028986994 /nfs/dbraw/zinc/98/69/94/1028986994.db2.gz QQOZVIATWZGHDM-LURJTMIESA-N 0 1 312.143 3.607 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccncc1Cl ZINC000817578795 1029206282 /nfs/dbraw/zinc/20/62/82/1029206282.db2.gz YLBHWWCJOMDXMA-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000818356377 1029382256 /nfs/dbraw/zinc/38/22/56/1029382256.db2.gz NTYYKRFZKPDCLU-RZAIGCCYSA-N 0 1 301.361 3.689 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000818356516 1029383176 /nfs/dbraw/zinc/38/31/76/1029383176.db2.gz NTYYKRFZKPDCLU-UYHISHBKSA-N 0 1 301.361 3.689 20 10 DHCDMN CCOCc1cc(CN[C@H](C)c2cnc(C)s2)ccc1OC ZINC000865701124 1029981340 /nfs/dbraw/zinc/98/13/40/1029981340.db2.gz HEVLPUDXNLRLRR-GFCCVEGCSA-N 0 1 320.458 3.847 20 10 DHCDMN CC(C)N(Cc1cncn1C(C)C)Cc1ccc(N(C)C)cc1 ZINC000822443143 1030026103 /nfs/dbraw/zinc/02/61/03/1030026103.db2.gz PCCBEPDHDPYFHC-UHFFFAOYSA-N 0 1 314.477 3.941 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@](C)(O)c1ccccc1 ZINC000822520515 1030041183 /nfs/dbraw/zinc/04/11/83/1030041183.db2.gz DYFZSCKJDWIOSR-QGZVFWFLSA-N 0 1 323.795 3.524 20 10 DHCDMN C[C@@H](NCc1noc2ccc(F)cc12)c1ccc(N(C)C)cc1 ZINC000866512642 1030337257 /nfs/dbraw/zinc/33/72/57/1030337257.db2.gz BIQUHWZYRDIOGO-GFCCVEGCSA-N 0 1 313.376 3.884 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000866512734 1030338430 /nfs/dbraw/zinc/33/84/30/1030338430.db2.gz OKRXSVOOTBDYCX-UTKHUVCWSA-N 0 1 319.420 3.874 20 10 DHCDMN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000866513612 1030339664 /nfs/dbraw/zinc/33/96/64/1030339664.db2.gz WVBZYWUUOFUTAP-PPHDSNJXSA-N 0 1 309.837 3.901 20 10 DHCDMN CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824602885 1030590088 /nfs/dbraw/zinc/59/00/88/1030590088.db2.gz FXVJGGQCALWSCU-ZDUSSCGKSA-N 0 1 319.367 3.860 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2cc(Cl)c(C)cc2O)on1 ZINC000824596319 1030590807 /nfs/dbraw/zinc/59/08/07/1030590807.db2.gz DWWKNSXBJRQNJU-AWEZNQCLSA-N 0 1 306.793 3.988 20 10 DHCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824636111 1030597738 /nfs/dbraw/zinc/59/77/38/1030597738.db2.gz LVXGCQAUGUCLAG-IEBWSBKVSA-N 0 1 311.425 3.652 20 10 DHCDMN O=[N+]([O-])c1cc(CN2CC[C@H]2C2CC2)ccc1N1CCCCC1 ZINC000824651327 1030600664 /nfs/dbraw/zinc/60/06/64/1030600664.db2.gz XFZGEQHJSVMQFC-INIZCTEOSA-N 0 1 315.417 3.569 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824697028 1030603248 /nfs/dbraw/zinc/60/32/48/1030603248.db2.gz YANNKMKNHXJYID-INMHGKMJSA-N 0 1 309.837 3.561 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824697028 1030603253 /nfs/dbraw/zinc/60/32/53/1030603253.db2.gz YANNKMKNHXJYID-INMHGKMJSA-N 0 1 309.837 3.561 20 10 DHCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000824820855 1030647380 /nfs/dbraw/zinc/64/73/80/1030647380.db2.gz OWHFTXUCPKNIGQ-ZDUSSCGKSA-N 0 1 318.244 3.946 20 10 DHCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000824815793 1030647410 /nfs/dbraw/zinc/64/74/10/1030647410.db2.gz ZSIHSKWVLDDYAZ-TVQRCGJNSA-N 0 1 304.217 3.556 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000824856092 1030653849 /nfs/dbraw/zinc/65/38/49/1030653849.db2.gz SOCOBJUMMSEMJM-KRWDZBQOSA-N 0 1 309.837 3.747 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000824856092 1030653854 /nfs/dbraw/zinc/65/38/54/1030653854.db2.gz SOCOBJUMMSEMJM-KRWDZBQOSA-N 0 1 309.837 3.747 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893135 1030661842 /nfs/dbraw/zinc/66/18/42/1030661842.db2.gz LHYIGWVSPNCBMY-CVEARBPZSA-N 0 1 321.848 3.827 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893135 1030661850 /nfs/dbraw/zinc/66/18/50/1030661850.db2.gz LHYIGWVSPNCBMY-CVEARBPZSA-N 0 1 321.848 3.827 20 10 DHCDMN CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824888543 1030668201 /nfs/dbraw/zinc/66/82/01/1030668201.db2.gz FZEIQLCRRJANHG-AWEZNQCLSA-N 0 1 310.869 3.518 20 10 DHCDMN CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824888543 1030668217 /nfs/dbraw/zinc/66/82/17/1030668217.db2.gz FZEIQLCRRJANHG-AWEZNQCLSA-N 0 1 310.869 3.518 20 10 DHCDMN COc1cccc(O)c1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045842 1030706133 /nfs/dbraw/zinc/70/61/33/1030706133.db2.gz MLYNSOMGOGCYJR-LBPRGKRZSA-N 0 1 323.314 3.595 20 10 DHCDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000248689819 1030760998 /nfs/dbraw/zinc/76/09/98/1030760998.db2.gz ANEFTEXOMBKMCO-PBXWNFIWSA-N 0 1 307.821 3.654 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccncc1 ZINC000825303057 1030766636 /nfs/dbraw/zinc/76/66/36/1030766636.db2.gz CKDICUQPLNBMNL-AWEZNQCLSA-N 0 1 321.218 3.791 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2N(C)C)cc1Cl ZINC000825430528 1030795379 /nfs/dbraw/zinc/79/53/79/1030795379.db2.gz ZTQRQBQKROKDLB-UHFFFAOYSA-N 0 1 304.821 3.710 20 10 DHCDMN COc1cc(F)cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825384371 1030795779 /nfs/dbraw/zinc/79/57/79/1030795779.db2.gz AJHLNBJVCCCLNE-UHFFFAOYSA-N 0 1 309.768 3.792 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1Cl ZINC000825418274 1030807758 /nfs/dbraw/zinc/80/77/58/1030807758.db2.gz VMTRJSMLYJZQKO-CQSZACIVSA-N 0 1 324.877 3.808 20 10 DHCDMN Cc1ccc(O)c([C@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000926917982 1030993076 /nfs/dbraw/zinc/99/30/76/1030993076.db2.gz GFVDJJQSAPQGDG-LBPRGKRZSA-N 0 1 302.443 3.887 20 10 DHCDMN COc1cccc([C@H](C)NCc2nc3c(s2)CCCC3)c1O ZINC000926921095 1030996820 /nfs/dbraw/zinc/99/68/20/1030996820.db2.gz YPHUJXRERWOEKZ-NSHDSACASA-N 0 1 318.442 3.587 20 10 DHCDMN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000927072953 1031074467 /nfs/dbraw/zinc/07/44/67/1031074467.db2.gz ZTHHDCYVTBDBBS-ZBEGNZNMSA-N 0 1 307.825 3.827 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001144292627 1031432223 /nfs/dbraw/zinc/43/22/23/1031432223.db2.gz GVBOGILYMKCBSH-AOOOYVTPSA-N 0 1 314.198 3.526 20 10 DHCDMN Cc1cc([O-])c(C[NH+]2CCC(OC3CCC3)CC2)c(Cl)c1 ZINC000841888708 1031667215 /nfs/dbraw/zinc/66/72/15/1031667215.db2.gz NWSKSWPTDRNJEH-UHFFFAOYSA-N 0 1 309.837 3.888 20 10 DHCDMN CCc1nc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846148155 1031882677 /nfs/dbraw/zinc/88/26/77/1031882677.db2.gz XRUMQTDCKXXQMY-WDEREUQCSA-N 0 1 306.431 3.832 20 10 DHCDMN COc1cccc([C@H](C)NC2(c3nc(C)cs3)CCC2)c1O ZINC000846165488 1031894167 /nfs/dbraw/zinc/89/41/67/1031894167.db2.gz ZNEHLUNAAPVLLQ-LBPRGKRZSA-N 0 1 318.442 3.896 20 10 DHCDMN COc1cccc([C@H](C)N[C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000846171100 1031896494 /nfs/dbraw/zinc/89/64/94/1031896494.db2.gz DBKHPVXVJAQMRY-IWEFOYFVSA-N 0 1 301.361 3.689 20 10 DHCDMN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC000846184059 1031917815 /nfs/dbraw/zinc/91/78/15/1031917815.db2.gz QICVOLVLOBVQTI-PSVSLLHZSA-N 0 1 323.795 3.957 20 10 DHCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000302742702 1033347854 /nfs/dbraw/zinc/34/78/54/1033347854.db2.gz SCIGYYODNWGGRQ-UHFFFAOYSA-N 0 1 313.401 3.683 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672368 1033405645 /nfs/dbraw/zinc/40/56/45/1033405645.db2.gz CPRHVIVTDVQTRU-SJORKVTESA-N 0 1 317.816 3.744 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672368 1033405652 /nfs/dbraw/zinc/40/56/52/1033405652.db2.gz CPRHVIVTDVQTRU-SJORKVTESA-N 0 1 317.816 3.744 20 10 DHCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000877796725 1033454277 /nfs/dbraw/zinc/45/42/77/1033454277.db2.gz KTGFRJJRISYBJF-NSHDSACASA-N 0 1 318.244 3.682 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1Cl ZINC000826016418 1033582738 /nfs/dbraw/zinc/58/27/38/1033582738.db2.gz IOUJZYNWOAHNIH-QGZVFWFLSA-N 0 1 311.853 3.585 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1Cl ZINC000826016418 1033582748 /nfs/dbraw/zinc/58/27/48/1033582748.db2.gz IOUJZYNWOAHNIH-QGZVFWFLSA-N 0 1 311.853 3.585 20 10 DHCDMN Oc1c(Cl)cccc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862432213 1033850701 /nfs/dbraw/zinc/85/07/01/1033850701.db2.gz VPWBZNRLUAYLRF-JTQLQIEISA-N 0 1 322.739 3.895 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541551 1033881251 /nfs/dbraw/zinc/88/12/51/1033881251.db2.gz WECUDPXBUQHTST-CYBMUJFWSA-N 0 1 303.789 3.741 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000862541551 1033881268 /nfs/dbraw/zinc/88/12/68/1033881268.db2.gz WECUDPXBUQHTST-CYBMUJFWSA-N 0 1 303.789 3.741 20 10 DHCDMN CC[C@](C)(NCc1ccc2c(c1)CCO2)c1nc(C)cs1 ZINC000174498386 1033939526 /nfs/dbraw/zinc/93/95/26/1033939526.db2.gz SNFICDDFMPJBAI-KRWDZBQOSA-N 0 1 302.443 3.801 20 10 DHCDMN Cc1cc(CN2CCO[C@@H](CCF)C2)c(O)c(C(C)(C)C)c1 ZINC000863315896 1034062509 /nfs/dbraw/zinc/06/25/09/1034062509.db2.gz HORFMJMRUFDHQY-HNNXBMFYSA-N 0 1 309.425 3.559 20 10 DHCDMN Cc1cccc2nc(CN[C@@H](C)c3ccc(N(C)C)cc3)cn21 ZINC000178057516 1034205954 /nfs/dbraw/zinc/20/59/54/1034205954.db2.gz QRFZZTDETWAQFD-HNNXBMFYSA-N 0 1 308.429 3.560 20 10 DHCDMN Oc1c(CNc2ccc(OCC(F)F)cc2)ccc(F)c1F ZINC000864021937 1034260285 /nfs/dbraw/zinc/26/02/85/1034260285.db2.gz HKBTXVOMAZBPGP-UHFFFAOYSA-N 0 1 315.266 3.926 20 10 DHCDMN CO[C@@H]1CCOc2c(NCc3ccc(F)c(F)c3O)cccc21 ZINC000864035497 1034269490 /nfs/dbraw/zinc/26/94/90/1034269490.db2.gz KZTQRIAFCLCHDK-CQSZACIVSA-N 0 1 321.323 3.753 20 10 DHCDMN OCc1cc2cc(NCc3ccc(F)c(F)c3O)ccc2o1 ZINC000864041458 1034272729 /nfs/dbraw/zinc/27/27/29/1034272729.db2.gz NAMFBYGIKAJBEO-UHFFFAOYSA-N 0 1 305.280 3.521 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000184944295 1034515106 /nfs/dbraw/zinc/51/51/06/1034515106.db2.gz ODVIQVPHGKWQOL-MGPLVRAMSA-N 0 1 309.768 3.569 20 10 DHCDMN C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185119493 1034529977 /nfs/dbraw/zinc/52/99/77/1034529977.db2.gz ZJWDPYREIOLPGY-RYUDHWBXSA-N 0 1 305.805 3.950 20 10 DHCDMN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185501194 1034551110 /nfs/dbraw/zinc/55/11/10/1034551110.db2.gz KIAAKSXOPVQQNN-UWVGGRQHSA-N 0 1 308.809 3.932 20 10 DHCDMN C[C@H]([NH2+]C1CCSCC1)c1ccc(Br)cc1[O-] ZINC000185979237 1034590584 /nfs/dbraw/zinc/59/05/84/1034590584.db2.gz MDQSEBOZVQWAGZ-VIFPVBQESA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000186355236 1034623914 /nfs/dbraw/zinc/62/39/14/1034623914.db2.gz PLYMYSPTHOBIDY-KVPRVUCYSA-N 0 1 305.393 3.530 20 10 DHCDMN CC[C@H](N[C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186534095 1034638070 /nfs/dbraw/zinc/63/80/70/1034638070.db2.gz HVSSIWUCVFZPPO-IRXDYDNUSA-N 0 1 302.418 3.510 20 10 DHCDMN CN1CCCc2cc(CNCc3cnc(Cl)c(F)c3)ccc21 ZINC000865437238 1034646156 /nfs/dbraw/zinc/64/61/56/1034646156.db2.gz DDVKUYDBQASATB-UHFFFAOYSA-N 0 1 319.811 3.546 20 10 DHCDMN C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187768612 1034730879 /nfs/dbraw/zinc/73/08/79/1034730879.db2.gz OEYXPBXTCKUAIC-LLVKDONJSA-N 0 1 312.404 3.584 20 10 DHCDMN C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1O ZINC000187871855 1034736061 /nfs/dbraw/zinc/73/60/61/1034736061.db2.gz ITKDISCVXPWZGX-NSHDSACASA-N 0 1 319.355 3.839 20 10 DHCDMN CCc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001177374876 1035365500 /nfs/dbraw/zinc/36/55/00/1035365500.db2.gz VGKCTKVVGMMHRZ-UHFFFAOYSA-N 0 1 309.457 3.613 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]CCN(C)Cc2ccccc2)c(Cl)c1 ZINC001177476056 1035371491 /nfs/dbraw/zinc/37/14/91/1035371491.db2.gz WOUCKZPRTSLFCF-UHFFFAOYSA-N 0 1 318.848 3.576 20 10 DHCDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001180142297 1035598341 /nfs/dbraw/zinc/59/83/41/1035598341.db2.gz MGMNRBPIPHVVJZ-OLZOCXBDSA-N 0 1 301.402 3.776 20 10 DHCDMN C[C@H]1C[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)c2ccccc21 ZINC001193626633 1035679755 /nfs/dbraw/zinc/67/97/55/1035679755.db2.gz YJTCDUMXNNRLJW-XPTSAGLGSA-N 0 1 317.772 3.730 20 10 DHCDMN C[N@@H+](CCc1ccccc1Cl)Cc1ccc(F)c(F)c1[O-] ZINC001233077335 1035734716 /nfs/dbraw/zinc/73/47/16/1035734716.db2.gz JQEKQTIZRBZOAJ-UHFFFAOYSA-N 0 1 311.759 3.998 20 10 DHCDMN Oc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1 ZINC001204280608 1035757658 /nfs/dbraw/zinc/75/76/58/1035757658.db2.gz LJZUSAGZEPHZNK-MRXNPFEDSA-N 0 1 305.324 3.713 20 10 DHCDMN CSC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000312255470 1036235629 /nfs/dbraw/zinc/23/56/29/1036235629.db2.gz LCJLKTBBEWLXRU-UHFFFAOYSA-N 0 1 313.850 3.576 20 10 DHCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](CC)O1 ZINC001182462368 1036336542 /nfs/dbraw/zinc/33/65/42/1036336542.db2.gz PUUTZAKCUOBLTQ-PHIMTYICSA-N 0 1 301.789 3.574 20 10 DHCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1O ZINC001183362763 1036570512 /nfs/dbraw/zinc/57/05/12/1036570512.db2.gz DFECLCWXPGIOMH-JTQLQIEISA-N 0 1 322.202 3.711 20 10 DHCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775737003 1036586454 /nfs/dbraw/zinc/58/64/54/1036586454.db2.gz JNTGZXKWNFNXTJ-OAHLLOKOSA-N 0 1 323.799 3.564 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775737001 1036587622 /nfs/dbraw/zinc/58/76/22/1036587622.db2.gz JNTGZXKWNFNXTJ-HNNXBMFYSA-N 0 1 323.799 3.564 20 10 DHCDMN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775740448 1036596939 /nfs/dbraw/zinc/59/69/39/1036596939.db2.gz LTVQDFYTVPCOLL-SJCJKPOMSA-N 0 1 317.816 3.870 20 10 DHCDMN CS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775741603 1036610853 /nfs/dbraw/zinc/61/08/53/1036610853.db2.gz TWJQPGVYPVRKPO-GFCCVEGCSA-N 0 1 303.830 3.902 20 10 DHCDMN CCC(CC)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841972 1037070518 /nfs/dbraw/zinc/07/05/18/1037070518.db2.gz SHWCRZKTLCDIAB-UHFFFAOYSA-N 0 1 310.394 3.567 20 10 DHCDMN CCc1cc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000915789516 1037185943 /nfs/dbraw/zinc/18/59/43/1037185943.db2.gz HJRDITSGJSIKLA-KBPBESRZSA-N 0 1 305.462 3.861 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000842929642 1037238110 /nfs/dbraw/zinc/23/81/10/1037238110.db2.gz PFKMODLPHRJIOE-SBMIAAHKSA-N 0 1 316.264 3.699 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203636134 1037365728 /nfs/dbraw/zinc/36/57/28/1037365728.db2.gz PRBNYZOYBROSGU-NWDGAFQWSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203636134 1037365749 /nfs/dbraw/zinc/36/57/49/1037365749.db2.gz PRBNYZOYBROSGU-NWDGAFQWSA-N 0 1 310.235 3.777 20 10 DHCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccc(F)cc1 ZINC000776221534 1037923882 /nfs/dbraw/zinc/92/38/82/1037923882.db2.gz WMIYOKVKAVUKBL-LLVKDONJSA-N 0 1 309.768 3.742 20 10 DHCDMN Oc1cc(Br)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000691682284 1038121300 /nfs/dbraw/zinc/12/13/00/1038121300.db2.gz OZPKKVQMHYXIAP-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000691682284 1038121306 /nfs/dbraw/zinc/12/13/06/1038121306.db2.gz OZPKKVQMHYXIAP-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000691682284 1038121309 /nfs/dbraw/zinc/12/13/09/1038121309.db2.gz OZPKKVQMHYXIAP-LLVKDONJSA-N 0 1 316.214 3.726 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000775368644 1038276826 /nfs/dbraw/zinc/27/68/26/1038276826.db2.gz CGZUHYPWWIQYCY-ZDUSSCGKSA-N 0 1 324.380 3.907 20 10 DHCDMN CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775486747 1038555386 /nfs/dbraw/zinc/55/53/86/1038555386.db2.gz GTDFRNPSORWJAG-INIZCTEOSA-N 0 1 321.852 3.679 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775489711 1038564460 /nfs/dbraw/zinc/56/44/60/1038564460.db2.gz QRGDYGBGNZXMDH-NVXWUHKLSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@H]([NH2+]CCc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775502134 1038592634 /nfs/dbraw/zinc/59/26/34/1038592634.db2.gz OGGVXZDWLVTTPC-HNNXBMFYSA-N 0 1 308.809 3.934 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(Cl)cn1 ZINC000775507110 1038597726 /nfs/dbraw/zinc/59/77/26/1038597726.db2.gz ISFOIHLAPSLQGQ-CYBMUJFWSA-N 0 1 303.837 3.960 20 10 DHCDMN CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775510046 1038601566 /nfs/dbraw/zinc/60/15/66/1038601566.db2.gz USPQJKGNALXAER-CYBMUJFWSA-N 0 1 313.825 3.818 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(Cl)ccc1[O-] ZINC000775514409 1038610244 /nfs/dbraw/zinc/61/02/44/1038610244.db2.gz ZVQCKIXQOFRKHY-WCQYABFASA-N 0 1 317.907 3.935 20 10 DHCDMN CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(Cl)c1 ZINC000170732290 1038938983 /nfs/dbraw/zinc/93/89/83/1038938983.db2.gz UUQFBKLSDVLYTO-UHFFFAOYSA-N 0 1 319.788 3.804 20 10 DHCDMN CC[C@H](NCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1 ZINC000760896621 1039039289 /nfs/dbraw/zinc/03/92/89/1039039289.db2.gz HIHKIHBKKHEVFE-SFHVURJKSA-N 0 1 322.456 3.880 20 10 DHCDMN C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])C(C)(C)C ZINC000227120962 1040088209 /nfs/dbraw/zinc/08/82/09/1040088209.db2.gz VPLWSQHFUDLYMF-SNVBAGLBSA-N 0 1 300.240 3.927 20 10 DHCDMN CCc1ccc([C@@H](COC)NCc2cc(C)c(C)cc2O)o1 ZINC000174480920 1040646989 /nfs/dbraw/zinc/64/69/89/1040646989.db2.gz RFQLESJGSWXVEG-MRXNPFEDSA-N 0 1 303.402 3.642 20 10 DHCDMN C[C@H](NCc1c(F)cccc1OC(F)F)c1ccccc1O ZINC000272914181 130074266 /nfs/dbraw/zinc/07/42/66/130074266.db2.gz WZUKCHDOGWYWTC-JTQLQIEISA-N 0 1 311.303 3.984 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000273365950 130112506 /nfs/dbraw/zinc/11/25/06/130112506.db2.gz FCDGJBMAJHVBQI-YGRLFVJLSA-N 0 1 305.809 3.507 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000273365946 130112861 /nfs/dbraw/zinc/11/28/61/130112861.db2.gz FCDGJBMAJHVBQI-IINYFYTJSA-N 0 1 305.809 3.507 20 10 DHCDMN COC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)c1ccc(C)o1 ZINC000273563838 130136379 /nfs/dbraw/zinc/13/63/79/130136379.db2.gz IVZPOJOTDOYPMB-GDBMZVCRSA-N 0 1 303.402 3.949 20 10 DHCDMN C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000273605168 130144404 /nfs/dbraw/zinc/14/44/04/130144404.db2.gz TWWJIJCHXIGRMF-ONGXEEELSA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000273618457 130145688 /nfs/dbraw/zinc/14/56/88/130145688.db2.gz YJIFWPWHGBHVID-DTWKUNHWSA-N 0 1 311.731 3.664 20 10 DHCDMN Cc1ccc([C@@H](C)NCc2ccn(Cc3ccccc3)n2)c(O)c1 ZINC000284361159 131073397 /nfs/dbraw/zinc/07/33/97/131073397.db2.gz MZJFTFYTUVINFA-MRXNPFEDSA-N 0 1 321.424 3.796 20 10 DHCDMN CN(C)c1ccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000285458898 131170250 /nfs/dbraw/zinc/17/02/50/131170250.db2.gz AFGSSALFJXUOKY-GOSISDBHSA-N 0 1 312.461 3.887 20 10 DHCDMN CN1CCc2cc(CN[C@@H](c3ncc[nH]3)C3CCCCC3)ccc21 ZINC000367621002 336826792 /nfs/dbraw/zinc/82/67/92/336826792.db2.gz RPMHIPUAJOYXTD-LJQANCHMSA-N 0 1 324.472 3.813 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374472964 336990080 /nfs/dbraw/zinc/99/00/80/336990080.db2.gz SBZAHRLYLGJERO-KSSFIOAISA-N 0 1 317.816 3.913 20 10 DHCDMN C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000376952909 337043984 /nfs/dbraw/zinc/04/39/84/337043984.db2.gz BVKDNUXEFZQFQA-XWCIJXRUSA-N 0 1 317.816 3.917 20 10 DHCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189930267 337283955 /nfs/dbraw/zinc/28/39/55/337283955.db2.gz JVWLPVVQBQNVPB-OAHLLOKOSA-N 0 1 318.442 3.893 20 10 DHCDMN CCOc1cccc(CN2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189930267 337283956 /nfs/dbraw/zinc/28/39/56/337283956.db2.gz JVWLPVVQBQNVPB-OAHLLOKOSA-N 0 1 318.442 3.893 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1ccc2c(n1)CCC2 ZINC000572460790 337662717 /nfs/dbraw/zinc/66/27/17/337662717.db2.gz GPGPUBYJNLUQEE-UHFFFAOYSA-N 0 1 305.425 3.660 20 10 DHCDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000529391295 340753878 /nfs/dbraw/zinc/75/38/78/340753878.db2.gz FJKRITGUHPWPPX-PAWXDDDFSA-N 0 1 314.212 3.607 20 10 DHCDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000237249160 341209955 /nfs/dbraw/zinc/20/99/55/341209955.db2.gz SOXXXAQLLGJPIL-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN COc1ccc(O)c(CN2CCC[C@H]2c2csc(C)n2)c1 ZINC000189926447 524740934 /nfs/dbraw/zinc/74/09/34/524740934.db2.gz ICIAOUXVGGTKOQ-HNNXBMFYSA-N 0 1 304.415 3.503 20 10 DHCDMN COc1cccc(CN(C)[C@@H](C)c2cc(F)ccc2F)c1O ZINC000131578941 525916249 /nfs/dbraw/zinc/91/62/49/525916249.db2.gz CRHGXMMKYQGYER-NSHDSACASA-N 0 1 307.340 3.872 20 10 DHCDMN CC(C)COC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000297833972 535181674 /nfs/dbraw/zinc/18/16/74/535181674.db2.gz RXZDQMDTRKJKPR-JKSUJKDBSA-N 0 1 315.413 3.976 20 10 DHCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000740096650 599955439 /nfs/dbraw/zinc/95/54/39/599955439.db2.gz KRMGOHGDVNBQTM-KRWDZBQOSA-N 0 1 311.381 3.618 20 10 DHCDMN CCc1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000737251532 600712814 /nfs/dbraw/zinc/71/28/14/600712814.db2.gz TWBFVSNRZCUNKN-AWEZNQCLSA-N 0 1 319.445 3.549 20 10 DHCDMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000120846233 1013530233 /nfs/dbraw/zinc/53/02/33/1013530233.db2.gz KBXIDLAORRMALS-JTQLQIEISA-N 0 1 321.323 3.592 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140337731 1014613381 /nfs/dbraw/zinc/61/33/81/1014613381.db2.gz BMVRDWRTIORLRY-PSASIEDQSA-N 0 1 311.706 3.625 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140337731 1014613384 /nfs/dbraw/zinc/61/33/84/1014613384.db2.gz BMVRDWRTIORLRY-PSASIEDQSA-N 0 1 311.706 3.625 20 10 DHCDMN CCN(Cc1cnn(C2CCC2)c1)Cc1ccc(N(C)C)cc1 ZINC000891435700 1015038093 /nfs/dbraw/zinc/03/80/93/1015038093.db2.gz HAVZQDBNYUGMBQ-UHFFFAOYSA-N 0 1 312.461 3.696 20 10 DHCDMN CCn1cc(CN2Cc3cccc(O)c3C2)c(-c2ccccc2)n1 ZINC000895449204 1015157432 /nfs/dbraw/zinc/15/74/32/1015157432.db2.gz FOTLFJQTMHDWCY-UHFFFAOYSA-N 0 1 319.408 3.791 20 10 DHCDMN C[N@@H+](CCc1ccccc1)Cc1c(O)cccc1Br ZINC000707161055 1015172623 /nfs/dbraw/zinc/17/26/23/1015172623.db2.gz ROLSPMYNZPMNMR-UHFFFAOYSA-N 0 1 320.230 3.829 20 10 DHCDMN C[N@H+](CCc1ccccc1)Cc1c([O-])cccc1Br ZINC000707161055 1015172627 /nfs/dbraw/zinc/17/26/27/1015172627.db2.gz ROLSPMYNZPMNMR-UHFFFAOYSA-N 0 1 320.230 3.829 20 10 DHCDMN C[N@@H+](CCc1ccccc1)Cc1c([O-])cccc1Br ZINC000707161055 1015172631 /nfs/dbraw/zinc/17/26/31/1015172631.db2.gz ROLSPMYNZPMNMR-UHFFFAOYSA-N 0 1 320.230 3.829 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000895585452 1015213279 /nfs/dbraw/zinc/21/32/79/1015213279.db2.gz XRTRHMOJNZTHJJ-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000895585452 1015213282 /nfs/dbraw/zinc/21/32/82/1015213282.db2.gz XRTRHMOJNZTHJJ-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN [O-]c1c(C[NH+]2CC(CC3CCOCC3)C2)ccc2ccccc21 ZINC000895615772 1015226569 /nfs/dbraw/zinc/22/65/69/1015226569.db2.gz OOCRMTHGEGYGOH-UHFFFAOYSA-N 0 1 311.425 3.794 20 10 DHCDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)CCC(C)(C)C)c1C(=O)[O-] ZINC001598471924 992038798 /nfs/dbraw/zinc/03/87/98/992038798.db2.gz CVQRLSHBCSNQKX-UHFFFAOYSA-N 0 1 320.408 3.884 20 10 DHCDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)[nH]1 ZINC000277275369 1016130590 /nfs/dbraw/zinc/13/05/90/1016130590.db2.gz QBVIAPOFFLNMGM-AVGNSLFASA-N 0 1 302.422 3.744 20 10 DHCDMN COc1ccc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c(O)c1OC ZINC000892195328 1016396169 /nfs/dbraw/zinc/39/61/69/1016396169.db2.gz PQBLHSHROFIZLJ-SUMWQHHRSA-N 0 1 313.397 3.602 20 10 DHCDMN CN(C)c1ccc(F)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000877612776 1033381712 /nfs/dbraw/zinc/38/17/12/1033381712.db2.gz OEWSPZUKKGQOEV-UHFFFAOYSA-N 0 1 308.784 3.541 20 10 DHCDMN CC(C)c1ncc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000799737198 1012606849 /nfs/dbraw/zinc/60/68/49/1012606849.db2.gz YPXHZCBZBHUSIE-UHFFFAOYSA-N 0 1 323.799 3.730 20 10 DHCDMN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000113311345 1017929383 /nfs/dbraw/zinc/92/93/83/1017929383.db2.gz XDDPJNPLIJSRBY-MRXNPFEDSA-N 0 1 322.811 3.577 20 10 DHCDMN CC[NH2+]Cc1ccccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000841042918 1018119857 /nfs/dbraw/zinc/11/98/57/1018119857.db2.gz LIKUBFLSUNQRNC-UHFFFAOYSA-N 0 1 308.784 3.906 20 10 DHCDMN C[C@H]1OCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1C ZINC000765099352 1018475626 /nfs/dbraw/zinc/47/56/26/1018475626.db2.gz PDTDAWMFSBNCHV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1OCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1C ZINC000765099352 1018475633 /nfs/dbraw/zinc/47/56/33/1018475633.db2.gz PDTDAWMFSBNCHV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN C[C@H]1OCCN(Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1C ZINC000765099352 1018475642 /nfs/dbraw/zinc/47/56/42/1018475642.db2.gz PDTDAWMFSBNCHV-CHWSQXEVSA-N 0 1 315.413 3.626 20 10 DHCDMN CN(C)c1cc(F)c(CNC(C)(C)CC(F)(F)F)cc1F ZINC000858158284 1032786275 /nfs/dbraw/zinc/78/62/75/1032786275.db2.gz DONVMULNKSGWKQ-UHFFFAOYSA-N 0 1 310.310 3.851 20 10 DHCDMN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(F)F ZINC000708140607 1018837866 /nfs/dbraw/zinc/83/78/66/1018837866.db2.gz XTICIUWOKYLASK-YFKPBYRVSA-N 0 1 314.557 3.551 20 10 DHCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])CC(C)(C)C ZINC000715713377 1018952663 /nfs/dbraw/zinc/95/26/63/1018952663.db2.gz PHWCLLSRUDCMMK-UHFFFAOYSA-N 0 1 304.203 3.772 20 10 DHCDMN CCCOc1ccc(CNCc2c(C)noc2CC)cc1C ZINC000922981335 1018962360 /nfs/dbraw/zinc/96/23/60/1018962360.db2.gz DFMOEYYPJHPESK-UHFFFAOYSA-N 0 1 302.418 3.932 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1Cl ZINC000825774600 1032811481 /nfs/dbraw/zinc/81/14/81/1032811481.db2.gz ZJJZCOCXDXKVAO-MRXNPFEDSA-N 0 1 309.837 3.793 20 10 DHCDMN CCCCn1nc(C)c(CNCc2cc(C)ccc2O)c1Cl ZINC000858237955 1032813066 /nfs/dbraw/zinc/81/30/66/1032813066.db2.gz RTPIUNOHRLOXIW-UHFFFAOYSA-N 0 1 321.852 3.949 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1[O-] ZINC000926936747 1032857952 /nfs/dbraw/zinc/85/79/52/1032857952.db2.gz MJELBKCAALAJIY-LMWOUKEDSA-N 0 1 307.821 3.677 20 10 DHCDMN CO[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000728049213 1019868153 /nfs/dbraw/zinc/86/81/53/1019868153.db2.gz BMVLZAJMXIEPTK-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CO[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000728049213 1019868161 /nfs/dbraw/zinc/86/81/61/1019868161.db2.gz BMVLZAJMXIEPTK-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922676899 1020209764 /nfs/dbraw/zinc/20/97/64/1020209764.db2.gz DBQLCWNQDWQPSR-DGCLKSJQSA-N 0 1 323.742 3.635 20 10 DHCDMN COc1ccc(-c2cc(CN(C)Cc3ccccc3O)on2)cc1 ZINC000732203069 1020211049 /nfs/dbraw/zinc/21/10/49/1020211049.db2.gz NQZOQEHCMUQGNS-UHFFFAOYSA-N 0 1 324.380 3.688 20 10 DHCDMN CN(Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000732202744 1020211543 /nfs/dbraw/zinc/21/15/43/1020211543.db2.gz GDTJIWMEUDLTBO-UHFFFAOYSA-N 0 1 312.344 3.818 20 10 DHCDMN COc1ccc(C)cc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000733322539 1020368914 /nfs/dbraw/zinc/36/89/14/1020368914.db2.gz LJBZOELTHOZRLO-UHFFFAOYSA-N 0 1 305.805 3.695 20 10 DHCDMN Fc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCCO3)CCO2 ZINC000921719500 1020567258 /nfs/dbraw/zinc/56/72/58/1020567258.db2.gz QVEVMRBTMAOBIN-QGZVFWFLSA-N 0 1 313.372 3.764 20 10 DHCDMN COC[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739871977 1020919218 /nfs/dbraw/zinc/91/92/18/1020919218.db2.gz XFPQUWGCVZPTRV-CYBMUJFWSA-N 0 1 311.381 3.760 20 10 DHCDMN COC[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739871977 1020919224 /nfs/dbraw/zinc/91/92/24/1020919224.db2.gz XFPQUWGCVZPTRV-CYBMUJFWSA-N 0 1 311.381 3.760 20 10 DHCDMN C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740005413 1020923195 /nfs/dbraw/zinc/92/31/95/1020923195.db2.gz BRJZOYCQKRATBK-YVEFUNNKSA-N 0 1 311.853 3.713 20 10 DHCDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861867 1020956901 /nfs/dbraw/zinc/95/69/01/1020956901.db2.gz SCXPEBSMSXWPHS-ROUUACIJSA-N 0 1 314.429 3.576 20 10 DHCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1(C)C ZINC000740861867 1020956907 /nfs/dbraw/zinc/95/69/07/1020956907.db2.gz SCXPEBSMSXWPHS-ROUUACIJSA-N 0 1 314.429 3.576 20 10 DHCDMN CCN(C)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000741753275 1021048691 /nfs/dbraw/zinc/04/86/91/1021048691.db2.gz RHFXWRZMYRBIJV-HXUWFJFHSA-N 0 1 310.441 3.716 20 10 DHCDMN CC(C)[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743394891 1021281786 /nfs/dbraw/zinc/28/17/86/1021281786.db2.gz DGUJDRHVFXKXRP-QGZVFWFLSA-N 0 1 302.443 3.514 20 10 DHCDMN CC(C)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743394891 1021281787 /nfs/dbraw/zinc/28/17/87/1021281787.db2.gz DGUJDRHVFXKXRP-QGZVFWFLSA-N 0 1 302.443 3.514 20 10 DHCDMN COc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1Cl ZINC001236802015 1021288263 /nfs/dbraw/zinc/28/82/63/1021288263.db2.gz MRPJHSHGJPDCAA-NSHDSACASA-N 0 1 323.742 3.623 20 10 DHCDMN CN(Cc1ccccc1O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116279486 1032982333 /nfs/dbraw/zinc/98/23/33/1032982333.db2.gz IRCWJCQJKSMLJL-UHFFFAOYSA-N 0 1 306.749 3.586 20 10 DHCDMN CC(C)(C)SCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691418250 1021519724 /nfs/dbraw/zinc/51/97/24/1021519724.db2.gz ZDJSMKFIBAHHLA-UHFFFAOYSA-N 0 1 318.280 3.776 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)oc1ccccc12 ZINC000744434448 1021542681 /nfs/dbraw/zinc/54/26/81/1021542681.db2.gz BZNSYMLUIPSKSU-OKILXGFUSA-N 0 1 309.365 3.655 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)O3)oc1ccccc12 ZINC000744434448 1021542695 /nfs/dbraw/zinc/54/26/95/1021542695.db2.gz BZNSYMLUIPSKSU-OKILXGFUSA-N 0 1 309.365 3.655 20 10 DHCDMN Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)oc1ccccc12 ZINC000744434448 1021542705 /nfs/dbraw/zinc/54/27/05/1021542705.db2.gz BZNSYMLUIPSKSU-OKILXGFUSA-N 0 1 309.365 3.655 20 10 DHCDMN CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850488290 1021561759 /nfs/dbraw/zinc/56/17/59/1021561759.db2.gz MTERHSCQQIHGSR-KBPBESRZSA-N 0 1 317.351 3.613 20 10 DHCDMN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000850520963 1021574500 /nfs/dbraw/zinc/57/45/00/1021574500.db2.gz KOCWSGLYXIGRNH-ABAIWWIYSA-N 0 1 307.340 3.620 20 10 DHCDMN C[C@@H]([NH2+]CCc1ccoc1)c1cc(Br)ccc1[O-] ZINC000850530683 1021585987 /nfs/dbraw/zinc/58/59/87/1021585987.db2.gz AYQUBOZNWIMRLQ-SNVBAGLBSA-N 0 1 310.191 3.641 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2csc(C3CC3)n2)c1 ZINC000182441592 1021654021 /nfs/dbraw/zinc/65/40/21/1021654021.db2.gz MDAGMOVGNDUZOI-SNVBAGLBSA-N 0 1 304.415 3.586 20 10 DHCDMN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000851950425 1022050248 /nfs/dbraw/zinc/05/02/48/1022050248.db2.gz OXVJJOWGDOYBOX-GFCCVEGCSA-N 0 1 317.364 3.651 20 10 DHCDMN [O-]c1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)oc1ccccc12 ZINC000853595918 1022297481 /nfs/dbraw/zinc/29/74/81/1022297481.db2.gz ZZBAAYXKVPRQEZ-UHFFFAOYSA-N 0 1 309.365 3.514 20 10 DHCDMN [O-]c1cc2c(cc1C[N@H+]1CCC3(COC3)C1)oc1ccccc12 ZINC000853595918 1022297488 /nfs/dbraw/zinc/29/74/88/1022297488.db2.gz ZZBAAYXKVPRQEZ-UHFFFAOYSA-N 0 1 309.365 3.514 20 10 DHCDMN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1O ZINC000179883406 1022574166 /nfs/dbraw/zinc/57/41/66/1022574166.db2.gz IPSWTOLBKKRVPB-UHFFFAOYSA-N 0 1 311.303 3.765 20 10 DHCDMN CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000318995242 1022729606 /nfs/dbraw/zinc/72/96/06/1022729606.db2.gz NMSXKSWJEMIZKW-LSDHHAIUSA-N 0 1 300.446 3.926 20 10 DHCDMN CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000068973654 1022824291 /nfs/dbraw/zinc/82/42/91/1022824291.db2.gz VKGWXMWUVRVIGF-UHFFFAOYSA-N 0 1 300.358 3.713 20 10 DHCDMN COc1ccc(CN(C)Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000768168452 1022910044 /nfs/dbraw/zinc/91/00/44/1022910044.db2.gz IGSUVRHQQQEORC-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000768168452 1022910024 /nfs/dbraw/zinc/91/00/24/1022910024.db2.gz IGSUVRHQQQEORC-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000768168452 1022910033 /nfs/dbraw/zinc/91/00/33/1022910033.db2.gz IGSUVRHQQQEORC-UHFFFAOYSA-N 0 1 321.804 3.695 20 10 DHCDMN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(Br)ccc1[O-] ZINC000857080594 1022943947 /nfs/dbraw/zinc/94/39/47/1022943947.db2.gz JESMDEOHNKSLEK-DTWKUNHWSA-N 0 1 320.177 3.851 20 10 DHCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000768440277 1022967471 /nfs/dbraw/zinc/96/74/71/1022967471.db2.gz PZQWELGFMASQCB-GOSISDBHSA-N 0 1 319.445 3.753 20 10 DHCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCCC1 ZINC000768440277 1022967481 /nfs/dbraw/zinc/96/74/81/1022967481.db2.gz PZQWELGFMASQCB-GOSISDBHSA-N 0 1 319.445 3.753 20 10 DHCDMN Cc1csc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000857507135 1023024314 /nfs/dbraw/zinc/02/43/14/1023024314.db2.gz BKDHHKMVILDBIB-UHFFFAOYSA-N 0 1 316.209 3.999 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000769388803 1023139240 /nfs/dbraw/zinc/13/92/40/1023139240.db2.gz HVBDZSRJDSXZLQ-NSHDSACASA-N 0 1 322.202 3.737 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000769388803 1023139243 /nfs/dbraw/zinc/13/92/43/1023139243.db2.gz HVBDZSRJDSXZLQ-NSHDSACASA-N 0 1 322.202 3.737 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000769481966 1023151570 /nfs/dbraw/zinc/15/15/70/1023151570.db2.gz DHSACEVCRIOZME-SFHVURJKSA-N 0 1 319.832 3.910 20 10 DHCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000769481966 1023151572 /nfs/dbraw/zinc/15/15/72/1023151572.db2.gz DHSACEVCRIOZME-SFHVURJKSA-N 0 1 319.832 3.910 20 10 DHCDMN CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451813 1023155516 /nfs/dbraw/zinc/15/55/16/1023155516.db2.gz OILFOFOIQKULRQ-IBGZPJMESA-N 0 1 302.462 3.678 20 10 DHCDMN CCC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000769451813 1023155529 /nfs/dbraw/zinc/15/55/29/1023155529.db2.gz OILFOFOIQKULRQ-IBGZPJMESA-N 0 1 302.462 3.678 20 10 DHCDMN Cc1ccccc1[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000769447600 1023156724 /nfs/dbraw/zinc/15/67/24/1023156724.db2.gz YOBPFWIPCAHIAD-HXUWFJFHSA-N 0 1 310.441 3.635 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000769493006 1023166798 /nfs/dbraw/zinc/16/67/98/1023166798.db2.gz QDTYFOYHLFZQRB-INIZCTEOSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000769493006 1023166802 /nfs/dbraw/zinc/16/68/02/1023166802.db2.gz QDTYFOYHLFZQRB-INIZCTEOSA-N 0 1 309.837 3.969 20 10 DHCDMN CN(C)c1cccc(C[N@H+](C)Cc2c([O-])cccc2Cl)c1 ZINC000769537205 1023175625 /nfs/dbraw/zinc/17/56/25/1023175625.db2.gz IVDOOJWVWUMLPL-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN CN(C)c1cccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)c1 ZINC000769537205 1023175629 /nfs/dbraw/zinc/17/56/29/1023175629.db2.gz IVDOOJWVWUMLPL-UHFFFAOYSA-N 0 1 304.821 3.744 20 10 DHCDMN Cc1c([C@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)cnn1C ZINC000364473700 1023221969 /nfs/dbraw/zinc/22/19/69/1023221969.db2.gz ULOMEHKWZSKEHX-CQSZACIVSA-N 0 1 323.799 3.564 20 10 DHCDMN CN(C)Cc1ccc(NCc2c(O)cccc2Cl)cc1F ZINC000770428959 1023310362 /nfs/dbraw/zinc/31/03/62/1023310362.db2.gz MBCMESMIBXIRQF-UHFFFAOYSA-N 0 1 308.784 3.858 20 10 DHCDMN COCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000756644740 1023322634 /nfs/dbraw/zinc/32/26/34/1023322634.db2.gz BNXDEYCGRDAEKY-TZMCWYRMSA-N 0 1 307.409 3.876 20 10 DHCDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(F)c(F)c1[O-])CCC2 ZINC000876732479 1033128579 /nfs/dbraw/zinc/12/85/79/1033128579.db2.gz XEARPXFIJPQDHK-ZDUSSCGKSA-N 0 1 324.396 3.945 20 10 DHCDMN C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771927218 1023485965 /nfs/dbraw/zinc/48/59/65/1023485965.db2.gz KSTFIZXVNSDYNX-UHFFFAOYSA-N 0 1 306.749 3.586 20 10 DHCDMN Cc1ccc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(O)c1 ZINC000876778663 1033141144 /nfs/dbraw/zinc/14/11/44/1033141144.db2.gz LKAANDZDTMGVCG-GUYCJALGSA-N 0 1 303.427 3.724 20 10 DHCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093337767 1023656847 /nfs/dbraw/zinc/65/68/47/1023656847.db2.gz VDIQLLGUAXFBEO-JTQLQIEISA-N 0 1 304.217 3.557 20 10 DHCDMN CCn1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1=O ZINC000788605703 1023912793 /nfs/dbraw/zinc/91/27/93/1023912793.db2.gz CADSYTQMBNZZNY-AWEZNQCLSA-N 0 1 322.408 3.578 20 10 DHCDMN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000185482171 1024028989 /nfs/dbraw/zinc/02/89/89/1024028989.db2.gz LHRCXKNIBVIIBM-DZGCQCFKSA-N 0 1 301.430 3.993 20 10 DHCDMN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185424679 1024029641 /nfs/dbraw/zinc/02/96/41/1024029641.db2.gz KYOUFTUULQZABY-FZKQIMNGSA-N 0 1 301.430 3.993 20 10 DHCDMN Oc1ccc(F)cc1CNCc1cc(F)c(Cl)cc1F ZINC000789768575 1024160820 /nfs/dbraw/zinc/16/08/20/1024160820.db2.gz IXKUJNKUZHKJRC-UHFFFAOYSA-N 0 1 301.695 3.753 20 10 DHCDMN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccc(N(C)C)cc1 ZINC000268836763 1024173919 /nfs/dbraw/zinc/17/39/19/1024173919.db2.gz DRXLVTFWDPVWPB-LJQANCHMSA-N 0 1 322.456 3.950 20 10 DHCDMN CCCN(CCC)c1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000131003504 1024245907 /nfs/dbraw/zinc/24/59/07/1024245907.db2.gz PRWGOIHYRDLQNF-OPAMFIHVSA-N 0 1 324.534 3.512 20 10 DHCDMN Cc1cc(CNCc2ccncc2N)c(C)n1-c1cccc(C)c1 ZINC000883190861 1024278377 /nfs/dbraw/zinc/27/83/77/1024278377.db2.gz NJRPRXMQOYVPLL-UHFFFAOYSA-N 0 1 320.440 3.670 20 10 DHCDMN CCc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000131242959 1024299887 /nfs/dbraw/zinc/29/98/87/1024299887.db2.gz XTKMBAYPMVHJCX-HNNXBMFYSA-N 0 1 314.429 3.529 20 10 DHCDMN CCOc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2F)c(O)c1 ZINC000883382687 1024415384 /nfs/dbraw/zinc/41/53/84/1024415384.db2.gz LIFHBOAPCFODTQ-IEBWSBKVSA-N 0 1 315.388 3.906 20 10 DHCDMN C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H]1CCCOC1 ZINC000271147494 1024461864 /nfs/dbraw/zinc/46/18/64/1024461864.db2.gz BJKUILBFYHVJLX-INIZCTEOSA-N 0 1 311.425 3.918 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1Cc2ccccc2C1 ZINC000792166974 1024641475 /nfs/dbraw/zinc/64/14/75/1024641475.db2.gz JQQYCNXSXJCTCH-UHFFFAOYSA-N 0 1 305.780 3.784 20 10 DHCDMN CC(C)C1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793193612 1024931812 /nfs/dbraw/zinc/93/18/12/1024931812.db2.gz WURWZFGPDVMHJL-UHFFFAOYSA-N 0 1 317.433 3.673 20 10 DHCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000793214295 1024934951 /nfs/dbraw/zinc/93/49/51/1024934951.db2.gz MMKZGKQDBCTXOR-OTYXRUKQSA-N 0 1 316.228 3.698 20 10 DHCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000793214295 1024934964 /nfs/dbraw/zinc/93/49/64/1024934964.db2.gz MMKZGKQDBCTXOR-OTYXRUKQSA-N 0 1 316.228 3.698 20 10 DHCDMN COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000793232528 1024949947 /nfs/dbraw/zinc/94/99/47/1024949947.db2.gz XBIPCXPGDHDARO-LDYMZIIASA-N 0 1 323.742 3.827 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CC2CC2)C2CCC2)c1[O-] ZINC000793393491 1025032079 /nfs/dbraw/zinc/03/20/79/1025032079.db2.gz HEKDPJQNZWUHPP-UHFFFAOYSA-N 0 1 310.781 3.718 20 10 DHCDMN CC(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804857652 1025503275 /nfs/dbraw/zinc/50/32/75/1025503275.db2.gz HJNTVAFUKWJEPN-UHFFFAOYSA-N 0 1 305.205 3.544 20 10 DHCDMN CCC[N@@H+](CCc1ccccn1)Cc1cccc(OCC)c1O ZINC000289649620 1026112715 /nfs/dbraw/zinc/11/27/15/1026112715.db2.gz CBEDGUBXLHAWDE-UHFFFAOYSA-N 0 1 314.429 3.641 20 10 DHCDMN CC(C)C[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839520 1026131024 /nfs/dbraw/zinc/13/10/24/1026131024.db2.gz OGRQPUHDBLNOJP-VIFPVBQESA-N 0 1 304.217 3.997 20 10 DHCDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000178849770 1026306058 /nfs/dbraw/zinc/30/60/58/1026306058.db2.gz ZOENEGHHUVIKAS-GOSISDBHSA-N 0 1 315.388 3.722 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c1[O-] ZINC000808701414 1026375181 /nfs/dbraw/zinc/37/51/81/1026375181.db2.gz XEXFWSIJZDMKIE-YLQAJVPDSA-N 0 1 311.853 3.946 20 10 DHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809700479 1026587656 /nfs/dbraw/zinc/58/76/56/1026587656.db2.gz HJLOGJGLSBXILM-SMDDNHRTSA-N 0 1 315.816 3.700 20 10 DHCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809767681 1026605904 /nfs/dbraw/zinc/60/59/04/1026605904.db2.gz RCGGOQVSHHDCIN-LLVKDONJSA-N 0 1 318.826 3.527 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758175 1026618028 /nfs/dbraw/zinc/61/80/28/1026618028.db2.gz FQUFZDJKFJHNDP-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758175 1026618035 /nfs/dbraw/zinc/61/80/35/1026618035.db2.gz FQUFZDJKFJHNDP-KBPBESRZSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758640 1026618786 /nfs/dbraw/zinc/61/87/86/1026618786.db2.gz SBVIQPCGXQSESQ-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758640 1026618792 /nfs/dbraw/zinc/61/87/92/1026618792.db2.gz SBVIQPCGXQSESQ-UONOGXRCSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215456 1026708831 /nfs/dbraw/zinc/70/88/31/1026708831.db2.gz FVFCYDKGSDJBHZ-GWCFXTLKSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217207 1026709771 /nfs/dbraw/zinc/70/97/71/1026709771.db2.gz YTJVIYBOWNPJDI-AAEUAGOBSA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214723 1026710137 /nfs/dbraw/zinc/71/01/37/1026710137.db2.gz HIGFQXWJSGZYKM-MFKMUULPSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]CCN1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207827 1026716321 /nfs/dbraw/zinc/71/63/21/1026716321.db2.gz PGTICFOMKHNVKP-CQSZACIVSA-N 0 1 316.367 3.548 20 10 DHCDMN CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])OC ZINC000810261056 1026720850 /nfs/dbraw/zinc/72/08/50/1026720850.db2.gz SVPGPPRVLNMUDH-AAEUAGOBSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240164 1026725598 /nfs/dbraw/zinc/72/55/98/1026725598.db2.gz PXSBGYIEJGUHGI-BXUZGUMPSA-N 0 1 319.367 3.716 20 10 DHCDMN CC[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238990 1026725883 /nfs/dbraw/zinc/72/58/83/1026725883.db2.gz UWVGPYACNHEJOH-MMWSSPAHSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000810248870 1026729760 /nfs/dbraw/zinc/72/97/60/1026729760.db2.gz HNSZSWHVAJTNDC-CQSZACIVSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Br)ccc1[O-] ZINC000810257993 1026731044 /nfs/dbraw/zinc/73/10/44/1026731044.db2.gz XTXSCODHXKHDBW-BREBYQMCSA-N 0 1 316.239 3.619 20 10 DHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCOC1 ZINC000812296348 1027248008 /nfs/dbraw/zinc/24/80/08/1027248008.db2.gz PJSBBLCHGGPBPK-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H]1CCOC1 ZINC000812296348 1027248010 /nfs/dbraw/zinc/24/80/10/1027248010.db2.gz PJSBBLCHGGPBPK-ZDUSSCGKSA-N 0 1 315.413 3.628 20 10 DHCDMN COc1cc(Cl)cc(CN2CC(c3ccccc3F)C2)c1O ZINC000812791665 1027407223 /nfs/dbraw/zinc/40/72/23/1027407223.db2.gz ZSEGUPWBIDJTAO-UHFFFAOYSA-N 0 1 321.779 3.793 20 10 DHCDMN CC(C)(NCc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000813792487 1027715134 /nfs/dbraw/zinc/71/51/34/1027715134.db2.gz ZFHGFQHBDYVBTE-UHFFFAOYSA-N 0 1 312.369 3.555 20 10 DHCDMN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000779044264 1028021986 /nfs/dbraw/zinc/02/19/86/1028021986.db2.gz OEYMYYCNOUXIPP-HNNXBMFYSA-N 0 1 305.372 3.667 20 10 DHCDMN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(F)cn1 ZINC000779063954 1028136572 /nfs/dbraw/zinc/13/65/72/1028136572.db2.gz FAFRPKYFXSYMEH-QGZVFWFLSA-N 0 1 301.409 3.836 20 10 DHCDMN CC[C@@H]([NH2+]CCCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208311 1028164583 /nfs/dbraw/zinc/16/45/83/1028164583.db2.gz ATLJFFKGKDFFAG-CYBMUJFWSA-N 0 1 305.340 3.878 20 10 DHCDMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000779082793 1028195595 /nfs/dbraw/zinc/19/55/95/1028195595.db2.gz QZSVFGWIBXYUET-HNNXBMFYSA-N 0 1 323.440 3.575 20 10 DHCDMN CN(C)c1ccc(CNCc2conc2Cc2ccccc2)cc1 ZINC000815114076 1028360094 /nfs/dbraw/zinc/36/00/94/1028360094.db2.gz NXOKABCTXPBXCZ-UHFFFAOYSA-N 0 1 321.424 3.621 20 10 DHCDMN CCN(C)c1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000815120316 1028366674 /nfs/dbraw/zinc/36/66/74/1028366674.db2.gz PSKZEKFGVSAYJQ-UHFFFAOYSA-N 0 1 324.424 3.516 20 10 DHCDMN CC(C)[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000779149182 1028439545 /nfs/dbraw/zinc/43/95/45/1028439545.db2.gz BPTUQMSVPOUFMS-LJQANCHMSA-N 0 1 302.462 3.534 20 10 DHCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C ZINC000188294704 1028505093 /nfs/dbraw/zinc/50/50/93/1028505093.db2.gz WYMJDNAIUNXDDY-ZANVPECISA-N 0 1 304.217 3.556 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651482 1028595127 /nfs/dbraw/zinc/59/51/27/1028595127.db2.gz UVGPQVURASQCJO-DZGCQCFKSA-N 0 1 317.351 3.877 20 10 DHCDMN CCOc1ccc(O)c(CN[C@H]2COc3c2cccc3Cl)c1 ZINC000370464897 1028606163 /nfs/dbraw/zinc/60/61/63/1028606163.db2.gz PKOFGVWVVSUJGJ-HNNXBMFYSA-N 0 1 319.788 3.668 20 10 DHCDMN COc1ccc(O)c(CN2CCSC[C@H]2c2cccs2)c1 ZINC000371426422 1028710625 /nfs/dbraw/zinc/71/06/25/1028710625.db2.gz XGZGQSSZPHHGFM-AWEZNQCLSA-N 0 1 321.467 3.752 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000372518969 1028868378 /nfs/dbraw/zinc/86/83/78/1028868378.db2.gz XOUAPYURVFTGEM-GDBMZVCRSA-N 0 1 303.427 3.978 20 10 DHCDMN C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482734 1028892738 /nfs/dbraw/zinc/89/27/38/1028892738.db2.gz QQBWVJKMQKDVGY-UHFFFAOYSA-N 0 1 323.751 3.545 20 10 DHCDMN C[N@@H+](CCOCc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816520280 1028905267 /nfs/dbraw/zinc/90/52/67/1028905267.db2.gz KXSSQTGEYKFUBW-UHFFFAOYSA-N 0 1 323.795 3.833 20 10 DHCDMN Cc1cc([C@@H]2CCCN2Cc2c(O)ccc(Cl)c2F)no1 ZINC000372817528 1028906938 /nfs/dbraw/zinc/90/69/38/1028906938.db2.gz ZVKFGTMCKDWDQS-ZDUSSCGKSA-N 0 1 310.756 3.818 20 10 DHCDMN [O-]c1c(C[N@H+](CCCO)Cc2ccccc2)ccc2ccccc12 ZINC000816504174 1028909068 /nfs/dbraw/zinc/90/90/68/1028909068.db2.gz BMMJDGCFZFTGLU-UHFFFAOYSA-N 0 1 321.420 3.930 20 10 DHCDMN [O-]c1c(C[N@@H+](CCCO)Cc2ccccc2)ccc2ccccc12 ZINC000816504174 1028909076 /nfs/dbraw/zinc/90/90/76/1028909076.db2.gz BMMJDGCFZFTGLU-UHFFFAOYSA-N 0 1 321.420 3.930 20 10 DHCDMN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816519456 1028920328 /nfs/dbraw/zinc/92/03/28/1028920328.db2.gz JSERGWNJNZXBGG-GOSISDBHSA-N 0 1 321.424 3.788 20 10 DHCDMN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816519456 1028920343 /nfs/dbraw/zinc/92/03/43/1028920343.db2.gz JSERGWNJNZXBGG-GOSISDBHSA-N 0 1 321.424 3.788 20 10 DHCDMN CC(C)C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N(C)C ZINC000816534720 1028923955 /nfs/dbraw/zinc/92/39/55/1028923955.db2.gz RZBHQESCPVEOBU-QGZVFWFLSA-N 0 1 300.446 3.611 20 10 DHCDMN Cc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816537731 1028926555 /nfs/dbraw/zinc/92/65/55/1028926555.db2.gz PTYXIWVHNKUDKH-LJQANCHMSA-N 0 1 307.393 3.677 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2OCCc3ccccc32)ccc2ccccc21 ZINC000816550363 1028929782 /nfs/dbraw/zinc/92/97/82/1028929782.db2.gz OZIYEHXGDWNDGP-FQEVSTJZSA-N 0 1 319.404 3.949 20 10 DHCDMN [O-]c1c(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc2ccccc21 ZINC000816529090 1028936067 /nfs/dbraw/zinc/93/60/67/1028936067.db2.gz GDJFVEQSQGAHFU-UHFFFAOYSA-N 0 1 321.376 3.606 20 10 DHCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589764 1028939626 /nfs/dbraw/zinc/93/96/26/1028939626.db2.gz HOZWCKBVARCPCX-MRXNPFEDSA-N 0 1 315.816 3.558 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2cnc(C3CC3)nc2)ccc2ccccc21 ZINC000816559727 1028946172 /nfs/dbraw/zinc/94/61/72/1028946172.db2.gz SQJACYUYNDVEDR-UHFFFAOYSA-N 0 1 319.408 3.545 20 10 DHCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594753 1028956918 /nfs/dbraw/zinc/95/69/18/1028956918.db2.gz OGSDGCXSWYGKJE-APPZFPTMSA-N 0 1 311.706 3.957 20 10 DHCDMN CC(C)c1ncc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816599597 1028957363 /nfs/dbraw/zinc/95/73/63/1028957363.db2.gz RXCLFDBBVZNBJR-UHFFFAOYSA-N 0 1 323.799 3.730 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@H](CO)C2CCCCC2)ccc2ccccc21 ZINC000816649903 1028974940 /nfs/dbraw/zinc/97/49/40/1028974940.db2.gz NSAIYSKRORQUKZ-GOSISDBHSA-N 0 1 313.441 3.824 20 10 DHCDMN CCN(CC)c1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816665986 1028982640 /nfs/dbraw/zinc/98/26/40/1028982640.db2.gz BJSYJKAGHNZZTH-WOJBJXKFSA-N 0 1 314.473 3.676 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666368 1028983244 /nfs/dbraw/zinc/98/32/44/1028983244.db2.gz LNNPJZXRPKQCFA-VQTJNVASSA-N 0 1 309.409 3.689 20 10 DHCDMN OC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000816666511 1028985734 /nfs/dbraw/zinc/98/57/34/1028985734.db2.gz OQEFSFBXXPBELA-MRXNPFEDSA-N 0 1 311.425 3.654 20 10 DHCDMN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816666511 1028985764 /nfs/dbraw/zinc/98/57/64/1028985764.db2.gz OQEFSFBXXPBELA-MRXNPFEDSA-N 0 1 311.425 3.654 20 10 DHCDMN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816666511 1028985782 /nfs/dbraw/zinc/98/57/82/1028985782.db2.gz OQEFSFBXXPBELA-MRXNPFEDSA-N 0 1 311.425 3.654 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667924 1028991064 /nfs/dbraw/zinc/99/10/64/1028991064.db2.gz ZZDVZFDSVXHHQQ-QGZVFWFLSA-N 0 1 311.425 3.936 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccncc1Cl ZINC000817574217 1029201545 /nfs/dbraw/zinc/20/15/45/1029201545.db2.gz MHIWHMFLGFORHW-ZDUSSCGKSA-N 0 1 315.848 3.968 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000817974694 1029313112 /nfs/dbraw/zinc/31/31/12/1029313112.db2.gz NRGPHVOKPWTMPL-SJKOYZFVSA-N 0 1 316.832 3.583 20 10 DHCDMN F[C@@H]1COc2ccccc2[C@@H]1NCCCSc1nccs1 ZINC000866270188 1030192641 /nfs/dbraw/zinc/19/26/41/1030192641.db2.gz SYTLQUXBQLZINW-OCCSQVGLSA-N 0 1 324.446 3.687 20 10 DHCDMN F[C@@H]1COc2ccccc2[C@H]1NCCCSc1nccs1 ZINC000866270189 1030193243 /nfs/dbraw/zinc/19/32/43/1030193243.db2.gz SYTLQUXBQLZINW-TZMCWYRMSA-N 0 1 324.446 3.687 20 10 DHCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc(O)cc(F)c1 ZINC000924862147 1030210952 /nfs/dbraw/zinc/21/09/52/1030210952.db2.gz OVDZBVUVMBMOBT-NSHDSACASA-N 0 1 306.356 3.587 20 10 DHCDMN CN1CCCc2cc(CNCc3ccnc(Cl)c3F)ccc21 ZINC000823729430 1030384999 /nfs/dbraw/zinc/38/49/99/1030384999.db2.gz GLNWQIAVMHAARJ-UHFFFAOYSA-N 0 1 319.811 3.546 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000824895340 1030660305 /nfs/dbraw/zinc/66/03/05/1030660305.db2.gz UQOYSPBLWMWVQO-CQSZACIVSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000824895340 1030660314 /nfs/dbraw/zinc/66/03/14/1030660314.db2.gz UQOYSPBLWMWVQO-CQSZACIVSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CCO)c2ccccc2)cc1Cl ZINC000825297749 1030767899 /nfs/dbraw/zinc/76/78/99/1030767899.db2.gz MSVRYMVRFBCVGV-OAHLLOKOSA-N 0 1 319.832 3.610 20 10 DHCDMN [O-]c1cccc2c(NCCCSc3nccs3)cc[nH+]c12 ZINC000795094994 1030869054 /nfs/dbraw/zinc/86/90/54/1030869054.db2.gz GFBKBADMDFKEAU-UHFFFAOYSA-N 0 1 317.439 3.991 20 10 DHCDMN Cc1ccc([C@@H](C)NCc2nc3c(s2)CCCC3)c(O)c1 ZINC000926921513 1030997533 /nfs/dbraw/zinc/99/75/33/1030997533.db2.gz VDDWUUWLEYLCOP-GFCCVEGCSA-N 0 1 302.443 3.887 20 10 DHCDMN CCc1noc(C)c1CNCc1ccc(N(CC)CC)c(F)c1 ZINC000292973631 1031278253 /nfs/dbraw/zinc/27/82/53/1031278253.db2.gz MMCNCUDLXNJDKR-UHFFFAOYSA-N 0 1 319.424 3.821 20 10 DHCDMN CCC[C@H](CC)S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000844664296 1031286172 /nfs/dbraw/zinc/28/61/72/1031286172.db2.gz RTYHPKYFJFOPLN-QMMMGPOBSA-N 0 1 309.790 3.505 20 10 DHCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001144299029 1031439608 /nfs/dbraw/zinc/43/96/08/1031439608.db2.gz PESFBTHBWMEFFJ-JTQLQIEISA-N 0 1 320.177 3.618 20 10 DHCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307967 1031456801 /nfs/dbraw/zinc/45/68/01/1031456801.db2.gz DPEXPLGLXOCMNX-SECBINFHSA-N 0 1 302.187 3.526 20 10 DHCDMN CCOc1ccc(O)c(CN[C@@H]2c3cccc(F)c3O[C@@H]2C)c1 ZINC000360888939 1031606404 /nfs/dbraw/zinc/60/64/04/1031606404.db2.gz QLIRIYLJGODZKY-DIFFPNOSSA-N 0 1 317.360 3.542 20 10 DHCDMN COc1ccc(CNCc2ccc3c(c2)CCCN3C)c(F)c1 ZINC000845927799 1031779884 /nfs/dbraw/zinc/77/98/84/1031779884.db2.gz HHOLPRGSMNVZCG-UHFFFAOYSA-N 0 1 314.404 3.507 20 10 DHCDMN COc1cccc([C@@H](C)NCc2nc(C(C)C)cs2)c1O ZINC000846150962 1031882619 /nfs/dbraw/zinc/88/26/19/1031882619.db2.gz UCBWPJRANSUUQY-LLVKDONJSA-N 0 1 306.431 3.832 20 10 DHCDMN CCc1nc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846148153 1031883931 /nfs/dbraw/zinc/88/39/31/1031883931.db2.gz XRUMQTDCKXXQMY-QWRGUYRKSA-N 0 1 306.431 3.832 20 10 DHCDMN COc1cccc([C@@H](C)N[C@H]2COc3c2cccc3Cl)c1O ZINC000846154821 1031886414 /nfs/dbraw/zinc/88/64/14/1031886414.db2.gz TYPHSODYMQWCDR-YGRLFVJLSA-N 0 1 319.788 3.839 20 10 DHCDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527586 1031911346 /nfs/dbraw/zinc/91/13/46/1031911346.db2.gz ZXMFHYMMISSGET-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN C[C@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000846183973 1031916457 /nfs/dbraw/zinc/91/64/57/1031916457.db2.gz PRBNADHSFCIVGI-NJSLBKSFSA-N 0 1 316.420 3.664 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000846185287 1031920062 /nfs/dbraw/zinc/92/00/62/1031920062.db2.gz AZVOPRJROIOGLH-LXIYXOSZSA-N 0 1 319.832 3.992 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@H](c2ccncc2)C2CC2)cc1F ZINC000898320226 1032020969 /nfs/dbraw/zinc/02/09/69/1032020969.db2.gz JXZHKTOJHQRJRP-SFHVURJKSA-N 0 1 317.383 3.667 20 10 DHCDMN CCc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000151077075 1033414858 /nfs/dbraw/zinc/41/48/58/1033414858.db2.gz AOYYRJDKQMRKPF-OAHLLOKOSA-N 0 1 314.429 3.529 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC23CCOCC3)ccc2ccccc21 ZINC000877728450 1033423593 /nfs/dbraw/zinc/42/35/93/1033423593.db2.gz PCRJSPVNHOWBGA-KRWDZBQOSA-N 0 1 311.425 3.842 20 10 DHCDMN Cc1cccc([C@H]2CCCN2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000127002651 1033644073 /nfs/dbraw/zinc/64/40/73/1033644073.db2.gz ICAVNUDLDFZSOS-LJQANCHMSA-N 0 1 313.420 3.932 20 10 DHCDMN O=C(C[NH2+][C@H]1CCCC2(CCCCC2)C1)c1ccc([O-])c(O)c1 ZINC001173338925 1033695261 /nfs/dbraw/zinc/69/52/61/1033695261.db2.gz CPYFTTXWJVJDBZ-HNNXBMFYSA-N 0 1 317.429 3.763 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000826053308 1033763500 /nfs/dbraw/zinc/76/35/00/1033763500.db2.gz JOWKHSBCMKCMEQ-CYBMUJFWSA-N 0 1 309.837 3.793 20 10 DHCDMN CN1CCCc2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC000864026832 1034264560 /nfs/dbraw/zinc/26/45/60/1034264560.db2.gz HFUGWPQOZVXQBL-UHFFFAOYSA-N 0 1 304.340 3.665 20 10 DHCDMN COc1ccc(NCc2ccc(F)c(F)c2O)c2ncccc12 ZINC000864032042 1034267951 /nfs/dbraw/zinc/26/79/51/1034267951.db2.gz AZIMFXRIGOOGEB-UHFFFAOYSA-N 0 1 316.307 3.839 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])c1ccccn1 ZINC000184845418 1034505211 /nfs/dbraw/zinc/50/52/11/1034505211.db2.gz PIUKPSLFYJBRTH-WDEREUQCSA-N 0 1 321.218 3.962 20 10 DHCDMN CC(C)OCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000184863206 1034506920 /nfs/dbraw/zinc/50/69/20/1034506920.db2.gz XNLWIZBGSQSYGI-LLVKDONJSA-N 0 1 316.239 3.620 20 10 DHCDMN Cc1csc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000184954774 1034514457 /nfs/dbraw/zinc/51/44/57/1034514457.db2.gz FKRNMJMZYQDTSV-LBPRGKRZSA-N 0 1 302.443 3.887 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000184998944 1034517638 /nfs/dbraw/zinc/51/76/38/1034517638.db2.gz QGOCZFZXJGXRBG-LSDHHAIUSA-N 0 1 314.404 3.708 20 10 DHCDMN C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000185313170 1034540600 /nfs/dbraw/zinc/54/06/00/1034540600.db2.gz PYSZGYDONLYHBF-AWEZNQCLSA-N 0 1 309.413 3.562 20 10 DHCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185349754 1034543493 /nfs/dbraw/zinc/54/34/93/1034543493.db2.gz XPSTUCUCUYVGRC-CHWSQXEVSA-N 0 1 309.413 3.999 20 10 DHCDMN CCc1ccc([C@H](COC)N[C@H](C)c2cc(F)ccc2O)o1 ZINC000185548864 1034557461 /nfs/dbraw/zinc/55/74/61/1034557461.db2.gz WMCKMBWKRMROBE-ABAIWWIYSA-N 0 1 307.365 3.725 20 10 DHCDMN CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186176783 1034606875 /nfs/dbraw/zinc/60/68/75/1034606875.db2.gz RMTHZBZKYANLGT-LLVKDONJSA-N 0 1 321.852 3.755 20 10 DHCDMN CC1(C)CC[C@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000187243317 1034737704 /nfs/dbraw/zinc/73/77/04/1034737704.db2.gz PWLRGQGLADYAFK-QGZVFWFLSA-N 0 1 315.413 3.945 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)ncn3C)c(Cl)c1 ZINC001179602877 1035485121 /nfs/dbraw/zinc/48/51/21/1035485121.db2.gz LBUFZRMHIFIUJX-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN CCN(C)c1ccc(CN[C@H](CCOC)c2ccco2)cc1 ZINC000773832674 1035508988 /nfs/dbraw/zinc/50/89/88/1035508988.db2.gz AARKKPLFEQEDFE-QGZVFWFLSA-N 0 1 302.418 3.603 20 10 DHCDMN CC(C)[N@H+](Cc1cc(Br)cc(F)c1[O-])CC1CC1 ZINC001180274934 1035637839 /nfs/dbraw/zinc/63/78/39/1035637839.db2.gz BJCLPMVMJDMMRK-UHFFFAOYSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)CC(C)(C)C1 ZINC001193625014 1035679631 /nfs/dbraw/zinc/67/96/31/1035679631.db2.gz CVXAEVZHCDRJAI-GXSJLCMTSA-N 0 1 311.809 3.696 20 10 DHCDMN Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c1O ZINC000775657734 1036261985 /nfs/dbraw/zinc/26/19/85/1036261985.db2.gz GYZRRGBUTOFKBE-GOSISDBHSA-N 0 1 321.424 3.924 20 10 DHCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000775703038 1036478767 /nfs/dbraw/zinc/47/87/67/1036478767.db2.gz IOYWIJOWGXQJSS-UHFFFAOYSA-N 0 1 313.800 3.577 20 10 DHCDMN CC(C)c1ccc(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC001182968712 1036489863 /nfs/dbraw/zinc/48/98/63/1036489863.db2.gz DWPXPQLQMHVDQX-SJKOYZFVSA-N 0 1 313.388 3.760 20 10 DHCDMN Cn1cc(C(F)F)c(CNCc2ccc3ccccc3c2O)n1 ZINC001183395357 1036581459 /nfs/dbraw/zinc/58/14/59/1036581459.db2.gz LJHRVINUCGIBBT-UHFFFAOYSA-N 0 1 317.339 3.506 20 10 DHCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000775741393 1036605975 /nfs/dbraw/zinc/60/59/75/1036605975.db2.gz OUIXBSAUZKEJEW-LSDHHAIUSA-N 0 1 309.837 3.825 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000774669331 1036654573 /nfs/dbraw/zinc/65/45/73/1036654573.db2.gz AMMLDJIEUFEDRS-UHFFFAOYSA-N 0 1 316.404 3.988 20 10 DHCDMN [O-]c1ccc2ccncc2c1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000774669331 1036654591 /nfs/dbraw/zinc/65/45/91/1036654591.db2.gz AMMLDJIEUFEDRS-UHFFFAOYSA-N 0 1 316.404 3.988 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1Cl ZINC001184265032 1036791640 /nfs/dbraw/zinc/79/16/40/1036791640.db2.gz OEQCRICOTNAGST-GFCCVEGCSA-N 0 1 322.861 3.875 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1Cl ZINC001184265032 1036791660 /nfs/dbraw/zinc/79/16/60/1036791660.db2.gz OEQCRICOTNAGST-GFCCVEGCSA-N 0 1 322.861 3.875 20 10 DHCDMN COc1ccc(O)c(CN[C@H](c2ccco2)c2ccccc2)c1 ZINC000237362620 1037004272 /nfs/dbraw/zinc/00/42/72/1037004272.db2.gz XVWIJRHHHHDYMC-IBGZPJMESA-N 0 1 309.365 3.873 20 10 DHCDMN COc1c([O-])c(C[N@@H+](C2CC2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774834386 1037036714 /nfs/dbraw/zinc/03/67/14/1037036714.db2.gz UXNBPKFGBZTXDN-UHFFFAOYSA-N 0 1 320.389 3.606 20 10 DHCDMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774902196 1037192931 /nfs/dbraw/zinc/19/29/31/1037192931.db2.gz HLSYJRPCVFOZKF-GXTWGEPZSA-N 0 1 322.405 3.710 20 10 DHCDMN CC[C@@H](NCc1csc([C@@H](C)OC)n1)c1ccccc1O ZINC000775414914 1038390810 /nfs/dbraw/zinc/39/08/10/1038390810.db2.gz LKSDIQWOHRJVFR-BXUZGUMPSA-N 0 1 306.431 3.797 20 10 DHCDMN CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775484344 1038551303 /nfs/dbraw/zinc/55/13/03/1038551303.db2.gz BVEUIPGEWMPDLL-HNNXBMFYSA-N 0 1 310.869 3.961 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775510054 1038592421 /nfs/dbraw/zinc/59/24/21/1038592421.db2.gz UTZRCFOAFWITJE-DZGCQCFKSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775506771 1038598189 /nfs/dbraw/zinc/59/81/89/1038598189.db2.gz DFXJWVWTYSFIRQ-FUHWJXTLSA-N 0 1 319.832 3.994 20 10 DHCDMN CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512303 1038604496 /nfs/dbraw/zinc/60/44/96/1038604496.db2.gz IXUPVSHEZIDLJC-JQHSSLGASA-N 0 1 317.816 3.745 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775524381 1038642341 /nfs/dbraw/zinc/64/23/41/1038642341.db2.gz OPXLMTOGXPHARU-HZPDHXFCSA-N 0 1 323.795 3.959 20 10 DHCDMN Cc1cscc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226388868 1039615449 /nfs/dbraw/zinc/61/54/49/1039615449.db2.gz YMSBBKCRPAFCLD-UHFFFAOYSA-N 0 1 312.232 3.814 20 10 DHCDMN C[C@H](CCc1ccco1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227434808 1040259472 /nfs/dbraw/zinc/25/94/72/1040259472.db2.gz UNWWTRPILSMFEW-LLVKDONJSA-N 0 1 324.218 3.859 20 10 DHCDMN Cc1cccc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000227435723 1040262471 /nfs/dbraw/zinc/26/24/71/1040262471.db2.gz MDRZFFHGDVLXLW-UHFFFAOYSA-N 0 1 306.203 3.753 20 10 DHCDMN COc1cc(Cl)cc(CN[C@@H](C)c2nc(C)cs2)c1O ZINC000228673034 1041049277 /nfs/dbraw/zinc/04/92/77/1041049277.db2.gz JDKMXOBPCJJSIQ-VIFPVBQESA-N 0 1 312.822 3.670 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2c(Cl)cccc2OC)c1 ZINC000188281945 200220850 /nfs/dbraw/zinc/22/08/50/200220850.db2.gz SEUYXRGQVZIRIV-NSHDSACASA-N 0 1 321.804 3.914 20 10 DHCDMN Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(O)c1C ZINC000273582528 130139882 /nfs/dbraw/zinc/13/98/82/130139882.db2.gz NAYYEFSENIJBTC-OAHLLOKOSA-N 0 1 302.462 3.677 20 10 DHCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(Cl)cn1 ZINC000274915490 130273389 /nfs/dbraw/zinc/27/33/89/130273389.db2.gz OEWBEWQJDGWDCJ-ZDUSSCGKSA-N 0 1 315.848 3.968 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)NCc2ccn(Cc3ccccc3)n2)c1 ZINC000284365019 131074408 /nfs/dbraw/zinc/07/44/08/131074408.db2.gz NHLLAHFFADRIDT-MRXNPFEDSA-N 0 1 321.424 3.796 20 10 DHCDMN COC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000288705781 131336223 /nfs/dbraw/zinc/33/62/23/131336223.db2.gz YWFCZNLXJPVKJB-KRWDZBQOSA-N 0 1 317.816 3.752 20 10 DHCDMN COCC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294603724 131846595 /nfs/dbraw/zinc/84/65/95/131846595.db2.gz NTKLULZKQSHFOT-MRXNPFEDSA-N 0 1 302.418 3.521 20 10 DHCDMN CN1CCc2cc(CNCc3ccnc(Cl)c3Cl)ccc21 ZINC000368112225 336838597 /nfs/dbraw/zinc/83/85/97/336838597.db2.gz HPYPALOBBCHVCG-UHFFFAOYSA-N 0 1 322.239 3.671 20 10 DHCDMN CN(C)c1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1 ZINC000372897794 336942381 /nfs/dbraw/zinc/94/23/81/336942381.db2.gz QFQIUQCEPCADKY-QGZVFWFLSA-N 0 1 300.377 3.505 20 10 DHCDMN Cc1ccc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)o1 ZINC000180643848 337176928 /nfs/dbraw/zinc/17/69/28/337176928.db2.gz UFMOUTCYVQFORT-OAHLLOKOSA-N 0 1 307.777 3.521 20 10 DHCDMN Cc1ccc([C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)o1 ZINC000180643848 337176929 /nfs/dbraw/zinc/17/69/29/337176929.db2.gz UFMOUTCYVQFORT-OAHLLOKOSA-N 0 1 307.777 3.521 20 10 DHCDMN Cc1ccc([C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)o1 ZINC000180643848 337176930 /nfs/dbraw/zinc/17/69/30/337176930.db2.gz UFMOUTCYVQFORT-OAHLLOKOSA-N 0 1 307.777 3.521 20 10 DHCDMN C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000185122337 337203141 /nfs/dbraw/zinc/20/31/41/337203141.db2.gz FPOQNONDJVNYHX-CAYVGHNUSA-N 0 1 319.404 3.854 20 10 DHCDMN Cc1nc([C@H](N[C@@H](C)c2ccc(C)cc2O)c2ccccc2)n[nH]1 ZINC000185324728 337205096 /nfs/dbraw/zinc/20/50/96/337205096.db2.gz UHBWPGWCFSEEQQ-SCLBCKFNSA-N 0 1 322.412 3.567 20 10 DHCDMN C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000185674573 337249997 /nfs/dbraw/zinc/24/99/97/337249997.db2.gz FPOQNONDJVNYHX-MRFFXTKBSA-N 0 1 319.404 3.854 20 10 DHCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000186112815 337253828 /nfs/dbraw/zinc/25/38/28/337253828.db2.gz AXIJDUCEJDYCCC-LSDHHAIUSA-N 0 1 322.412 3.693 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCC12CC2 ZINC000529392698 340753897 /nfs/dbraw/zinc/75/38/97/340753897.db2.gz PBKHDPICSBYZHU-NSHDSACASA-N 0 1 314.212 3.896 20 10 DHCDMN COC[C@@H](NCc1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000182530121 522360394 /nfs/dbraw/zinc/36/03/94/522360394.db2.gz SZSCGEXPHKSAAV-CQSZACIVSA-N 0 1 309.793 3.733 20 10 DHCDMN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1Cl ZINC000130327386 525432638 /nfs/dbraw/zinc/43/26/38/525432638.db2.gz GHNJOAPQUVGKQO-VIFPVBQESA-N 0 1 323.751 3.764 20 10 DHCDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000158091968 525746262 /nfs/dbraw/zinc/74/62/62/525746262.db2.gz PSIOSHHKCDUGGU-HZPDHXFCSA-N 0 1 314.429 3.836 20 10 DHCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000182067307 526112369 /nfs/dbraw/zinc/11/23/69/526112369.db2.gz RNRHUBQDUMZJBF-JTQLQIEISA-N 0 1 321.764 3.542 20 10 DHCDMN O=C([O-])c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000740123289 600318615 /nfs/dbraw/zinc/31/86/15/600318615.db2.gz DXRSZJXTSDKFHQ-UHFFFAOYSA-N 0 1 315.369 3.628 20 10 DHCDMN Cc1cc(C[N@H+](CCC(=O)[O-])C(C)C)c(O)c(C(C)(C)C)c1 ZINC000738381677 600610366 /nfs/dbraw/zinc/61/03/66/600610366.db2.gz BLMRZOOKHBSZEP-UHFFFAOYSA-N 0 1 307.434 3.683 20 10 DHCDMN COc1cc(CN2CCO[C@H](C(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000777968490 1032066462 /nfs/dbraw/zinc/06/64/62/1032066462.db2.gz LBLZWGYOYNWJJU-KRWDZBQOSA-N 0 1 321.461 3.555 20 10 DHCDMN CCOc1ccc(C[N@@H+](CCO)C2CCC(CC)CC2)c(O)c1 ZINC000754155655 1013435686 /nfs/dbraw/zinc/43/56/86/1013435686.db2.gz YYXXZIXHXNDUTK-UHFFFAOYSA-N 0 1 321.461 3.554 20 10 DHCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](CO)C(C)(C)C ZINC000093837258 1013492901 /nfs/dbraw/zinc/49/29/01/1013492901.db2.gz POZCGRVTBUOWGT-GFCCVEGCSA-N 0 1 306.233 3.538 20 10 DHCDMN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccs2)c1O ZINC000050143597 1014088428 /nfs/dbraw/zinc/08/84/28/1014088428.db2.gz MLRHAYSFJKVDDK-JTQLQIEISA-N 0 1 307.390 3.988 20 10 DHCDMN CN(C)c1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1F ZINC000276158343 1014755785 /nfs/dbraw/zinc/75/57/85/1014755785.db2.gz GEYNACLDMXIGFX-INIZCTEOSA-N 0 1 318.367 3.644 20 10 DHCDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])ccn1 ZINC000834859626 1014821837 /nfs/dbraw/zinc/82/18/37/1014821837.db2.gz GIWWHPCZPGGESY-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001595748134 982417537 /nfs/dbraw/zinc/41/75/37/982417537.db2.gz UIQWWOFVXLQRBV-GOSISDBHSA-N 0 1 313.397 3.820 20 10 DHCDMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC001595749068 982419821 /nfs/dbraw/zinc/41/98/21/982419821.db2.gz DLQFVOKDILIZAT-UHFFFAOYSA-N 0 1 313.397 3.893 20 10 DHCDMN CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])CC(C)(C)C ZINC001596350617 983803810 /nfs/dbraw/zinc/80/38/10/983803810.db2.gz IBMHYQZOKZJOEK-UHFFFAOYSA-N 0 1 320.408 3.884 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000895580313 1015215780 /nfs/dbraw/zinc/21/57/80/1015215780.db2.gz AEOJMLHLICBGQI-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000895580313 1015215790 /nfs/dbraw/zinc/21/57/90/1015215790.db2.gz AEOJMLHLICBGQI-NSHDSACASA-N 0 1 308.834 3.800 20 10 DHCDMN COc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000895690720 1015257952 /nfs/dbraw/zinc/25/79/52/1015257952.db2.gz KYXFUGWSSPNPQF-AEFFLSMTSA-N 0 1 301.361 3.516 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229464 1015513339 /nfs/dbraw/zinc/51/33/39/1015513339.db2.gz ZBIYRWZYFIZXHC-GFCCVEGCSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229464 1015513348 /nfs/dbraw/zinc/51/33/48/1015513348.db2.gz ZBIYRWZYFIZXHC-GFCCVEGCSA-N 0 1 323.717 3.912 20 10 DHCDMN [O-]c1c(C[NH2+]CCc2nc3c(s2)CCC3)ccc2ccccc21 ZINC000896842319 1015768262 /nfs/dbraw/zinc/76/82/62/1015768262.db2.gz SQZJYXANGQVIPN-UHFFFAOYSA-N 0 1 324.449 3.823 20 10 DHCDMN CCCN(Cc1csc(NCC)n1)Cc1ccccc1O ZINC001167521433 1016293375 /nfs/dbraw/zinc/29/33/75/1016293375.db2.gz BXMCDGREKADJOF-UHFFFAOYSA-N 0 1 305.447 3.693 20 10 DHCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCS1 ZINC000896953180 1016956361 /nfs/dbraw/zinc/95/63/61/1016956361.db2.gz WBZMNMLUCQYUQW-BXKDBHETSA-N 0 1 316.264 3.528 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3cccnc32)cc1Cl ZINC000897071173 1017032728 /nfs/dbraw/zinc/03/27/28/1017032728.db2.gz XWCRLNRKEBSMQQ-OAHLLOKOSA-N 0 1 302.805 3.916 20 10 DHCDMN Cc1ccsc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160194315 1011990127 /nfs/dbraw/zinc/99/01/27/1011990127.db2.gz BDCKCJSLFNKDOH-MRXNPFEDSA-N 0 1 317.454 3.943 20 10 DHCDMN Oc1cc2ccccc2cc1CNc1ccncc1C(F)(F)F ZINC001171404946 1032595808 /nfs/dbraw/zinc/59/58/08/1032595808.db2.gz MHRVNUIXPANMNH-UHFFFAOYSA-N 0 1 318.298 3.993 20 10 DHCDMN COc1cc(C)cc(CN[C@@H]2COc3ccc(Cl)cc32)c1O ZINC000894333913 1012842515 /nfs/dbraw/zinc/84/25/15/1012842515.db2.gz SREQMFLRZVQUJT-CQSZACIVSA-N 0 1 319.788 3.586 20 10 DHCDMN Cc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccc1F ZINC000858089761 1032764588 /nfs/dbraw/zinc/76/45/88/1032764588.db2.gz ABFFNNKDEPEOBK-UHFFFAOYSA-N 0 1 308.347 3.768 20 10 DHCDMN CN(C)c1cc(F)c(CN[C@@H]2CCc3ccc(F)cc32)cc1F ZINC000858128459 1032774791 /nfs/dbraw/zinc/77/47/91/1032774791.db2.gz OBBPGSNXHBEJDG-QGZVFWFLSA-N 0 1 320.358 3.947 20 10 DHCDMN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137837917 1018661383 /nfs/dbraw/zinc/66/13/83/1018661383.db2.gz YYIWONJYLWZTSJ-QGZVFWFLSA-N 0 1 301.361 3.877 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000706808446 1018763298 /nfs/dbraw/zinc/76/32/98/1018763298.db2.gz PJKUJXDAHVYLHH-LBPRGKRZSA-N 0 1 318.214 3.584 20 10 DHCDMN CCCOc1ccc(CNCc2cc(C3CC3)nn2C)cc1C ZINC000922947721 1018931633 /nfs/dbraw/zinc/93/16/33/1018931633.db2.gz NXEXWXFUXHEMFQ-UHFFFAOYSA-N 0 1 313.445 3.685 20 10 DHCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715702488 1018939913 /nfs/dbraw/zinc/93/99/13/1018939913.db2.gz LCXBQZLESRFAST-SECBINFHSA-N 0 1 302.187 3.668 20 10 DHCDMN CC1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715702588 1018940369 /nfs/dbraw/zinc/94/03/69/1018940369.db2.gz LZMHVIXADACWAQ-UHFFFAOYSA-N 0 1 302.187 3.526 20 10 DHCDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Br)CC1(F)F ZINC000858192501 1032798209 /nfs/dbraw/zinc/79/82/09/1032798209.db2.gz MNSAYMQYZOOJOW-LBPRGKRZSA-N 0 1 320.177 3.680 20 10 DHCDMN CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134922599 1019052441 /nfs/dbraw/zinc/05/24/41/1019052441.db2.gz JZYZATZCLVUPSN-IUCAKERBSA-N 0 1 304.253 3.557 20 10 DHCDMN Fc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000922039737 1019357266 /nfs/dbraw/zinc/35/72/66/1019357266.db2.gz SYABRFYTWJNYRJ-KRWDZBQOSA-N 0 1 313.372 3.764 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc2ccccc2c1[O-] ZINC000186515246 1019770370 /nfs/dbraw/zinc/77/03/70/1019770370.db2.gz JIVPECIXNQQHQS-DYVFJYSZSA-N 0 1 311.381 3.913 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922676898 1020208567 /nfs/dbraw/zinc/20/85/67/1020208567.db2.gz DBQLCWNQDWQPSR-AAEUAGOBSA-N 0 1 323.742 3.635 20 10 DHCDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCS1 ZINC000922839493 1020302621 /nfs/dbraw/zinc/30/26/21/1020302621.db2.gz UCMKAIOQKVIMKL-UWVGGRQHSA-N 0 1 316.264 3.528 20 10 DHCDMN Oc1cccc(Cl)c1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000733324760 1020372102 /nfs/dbraw/zinc/37/21/02/1020372102.db2.gz BANLDJLDXDWDOY-JTQLQIEISA-N 0 1 323.742 3.589 20 10 DHCDMN CCn1cc(CN(C)Cc2cc(C(C)C)c(C)cc2O)cn1 ZINC000733790397 1020445940 /nfs/dbraw/zinc/44/59/40/1020445940.db2.gz KRXKSSJKYXAIIM-UHFFFAOYSA-N 0 1 301.434 3.672 20 10 DHCDMN CCCCN(Cc1ccccc1O)[C@H](C)c1nc(CC)no1 ZINC000282574181 1020463547 /nfs/dbraw/zinc/46/35/47/1020463547.db2.gz ZXOPNIUSIJJGTM-CYBMUJFWSA-N 0 1 303.406 3.701 20 10 DHCDMN CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000735678619 1020758511 /nfs/dbraw/zinc/75/85/11/1020758511.db2.gz YETNKKIZFZXQKH-BLLLJJGKSA-N 0 1 311.853 3.977 20 10 DHCDMN C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740005411 1020923462 /nfs/dbraw/zinc/92/34/62/1020923462.db2.gz BRJZOYCQKRATBK-SJCJKPOMSA-N 0 1 311.853 3.713 20 10 DHCDMN C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740005412 1020923679 /nfs/dbraw/zinc/92/36/79/1020923679.db2.gz BRJZOYCQKRATBK-SJKOYZFVSA-N 0 1 311.853 3.713 20 10 DHCDMN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccoc1 ZINC000178205044 1021063481 /nfs/dbraw/zinc/06/34/81/1021063481.db2.gz JWZQFFIBLCBHRR-AWEZNQCLSA-N 0 1 302.443 3.684 20 10 DHCDMN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000742160240 1021095960 /nfs/dbraw/zinc/09/59/60/1021095960.db2.gz VVZCEHHJBDXBEN-AWEZNQCLSA-N 0 1 304.393 3.887 20 10 DHCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000742160240 1021095966 /nfs/dbraw/zinc/09/59/66/1021095966.db2.gz VVZCEHHJBDXBEN-AWEZNQCLSA-N 0 1 304.393 3.887 20 10 DHCDMN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCCC2 ZINC000742390996 1021111199 /nfs/dbraw/zinc/11/11/99/1021111199.db2.gz YOHMQGNUAFLVGY-HOTGVXAUSA-N 0 1 309.837 3.873 20 10 DHCDMN CCOc1ccc(N2CCN(CCCC(F)(F)F)CC2)cc1 ZINC001202442745 1021257647 /nfs/dbraw/zinc/25/76/47/1021257647.db2.gz OELPGAJFVHVFHD-UHFFFAOYSA-N 0 1 316.367 3.550 20 10 DHCDMN Cc1cc(O)c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C ZINC000743408857 1021290376 /nfs/dbraw/zinc/29/03/76/1021290376.db2.gz OZLQBUBXEKDNAR-QFBILLFUSA-N 0 1 311.425 3.971 20 10 DHCDMN Fc1ccc(OC(F)F)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000850110943 1021420817 /nfs/dbraw/zinc/42/08/17/1021420817.db2.gz CVFBPFKWINOCPJ-UHFFFAOYSA-N 0 1 323.314 3.652 20 10 DHCDMN CN1CCCc2cc(CNCc3ccc(F)c(F)c3F)ccc21 ZINC000850099755 1021421080 /nfs/dbraw/zinc/42/10/80/1021421080.db2.gz XCCPCAQCPJOODH-UHFFFAOYSA-N 0 1 320.358 3.776 20 10 DHCDMN CN(C)c1ccc(CNCc2cc(O)cc(Cl)c2)cc1F ZINC000892738694 1021587982 /nfs/dbraw/zinc/58/79/82/1021587982.db2.gz XFGWDQACSZLGNB-UHFFFAOYSA-N 0 1 308.784 3.541 20 10 DHCDMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccccc1O ZINC000109773303 1021747984 /nfs/dbraw/zinc/74/79/84/1021747984.db2.gz WXCDMXJRVAABMV-LBPRGKRZSA-N 0 1 318.804 3.505 20 10 DHCDMN COc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)sn1 ZINC000851732759 1021976415 /nfs/dbraw/zinc/97/64/15/1021976415.db2.gz XNWIPGPBTKUAAE-UHFFFAOYSA-N 0 1 319.474 3.628 20 10 DHCDMN CCC[N@@H+](Cc1cnc2ccccc2n1)Cc1ccccc1O ZINC000851793077 1022002137 /nfs/dbraw/zinc/00/21/37/1022002137.db2.gz WCLWFSBOQWANAL-UHFFFAOYSA-N 0 1 307.397 3.748 20 10 DHCDMN C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542854 1022288902 /nfs/dbraw/zinc/28/89/02/1022288902.db2.gz VJXSBMXNXZEPHZ-CYBMUJFWSA-N 0 1 319.445 3.539 20 10 DHCDMN C[C@@H]1COC2(CCC2)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853542854 1022288908 /nfs/dbraw/zinc/28/89/08/1022288908.db2.gz VJXSBMXNXZEPHZ-CYBMUJFWSA-N 0 1 319.445 3.539 20 10 DHCDMN COc1cc(CN2CC3(CCC3)[C@H]2c2ccncc2)c(O)cc1C ZINC000853632402 1022302830 /nfs/dbraw/zinc/30/28/30/1022302830.db2.gz FSJSZZHPMBNKFD-LJQANCHMSA-N 0 1 324.424 3.831 20 10 DHCDMN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000763645455 1022656401 /nfs/dbraw/zinc/65/64/01/1022656401.db2.gz GQFIDQSCGQVUSQ-LLVKDONJSA-N 0 1 310.235 3.919 20 10 DHCDMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000763645455 1022656413 /nfs/dbraw/zinc/65/64/13/1022656413.db2.gz GQFIDQSCGQVUSQ-LLVKDONJSA-N 0 1 310.235 3.919 20 10 DHCDMN CCCC[N@H+](CC)Cc1cc(Br)cc(OC)c1[O-] ZINC000768143842 1022892461 /nfs/dbraw/zinc/89/24/61/1022892461.db2.gz PQAXTVXPITXTDY-UHFFFAOYSA-N 0 1 316.239 3.785 20 10 DHCDMN CCCC[N@@H+](CC)Cc1cc(Br)cc(OC)c1[O-] ZINC000768143842 1022892480 /nfs/dbraw/zinc/89/24/80/1022892480.db2.gz PQAXTVXPITXTDY-UHFFFAOYSA-N 0 1 316.239 3.785 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CCC2(CC1)OCCO2 ZINC000190257726 1022910318 /nfs/dbraw/zinc/91/03/18/1022910318.db2.gz KYGLNQPRFQXACY-UHFFFAOYSA-N 0 1 319.445 3.538 20 10 DHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CCC2(CC1)OCCO2 ZINC000190257726 1022910329 /nfs/dbraw/zinc/91/03/29/1022910329.db2.gz KYGLNQPRFQXACY-UHFFFAOYSA-N 0 1 319.445 3.538 20 10 DHCDMN C[N@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000768212475 1022926134 /nfs/dbraw/zinc/92/61/34/1022926134.db2.gz KAAYFIKCHBQKHH-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000768212475 1022926140 /nfs/dbraw/zinc/92/61/40/1022926140.db2.gz KAAYFIKCHBQKHH-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN COc1cccc(Cl)c1CN[C@H]1CCc2cccc(O)c21 ZINC000296333791 1023009995 /nfs/dbraw/zinc/00/99/95/1023009995.db2.gz GNBUSPWSCRUPGZ-AWEZNQCLSA-N 0 1 303.789 3.831 20 10 DHCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(C)(C)O1 ZINC000769100718 1023080504 /nfs/dbraw/zinc/08/05/04/1023080504.db2.gz OWKMUBPMBFWDNT-MRXNPFEDSA-N 0 1 302.462 3.676 20 10 DHCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000769293914 1023113884 /nfs/dbraw/zinc/11/38/84/1023113884.db2.gz VYLDABJYTFYZAF-UHFFFAOYSA-N 0 1 323.396 3.629 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(O)ccc2Cl)c1 ZINC000859232233 1033108282 /nfs/dbraw/zinc/10/82/82/1033108282.db2.gz IFXBAORZYHSUIK-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN CC1=CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769447602 1023155504 /nfs/dbraw/zinc/15/55/04/1023155504.db2.gz SVKIEQKBRZCKTF-UHFFFAOYSA-N 0 1 315.417 3.737 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000771933454 1023489965 /nfs/dbraw/zinc/48/99/65/1023489965.db2.gz JHWGCBRTGZJBOS-UHFFFAOYSA-N 0 1 308.347 3.802 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715681574 1024036754 /nfs/dbraw/zinc/03/67/54/1024036754.db2.gz VHKIOXVIHVIUOJ-LBPRGKRZSA-N 0 1 316.264 3.530 20 10 DHCDMN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789586343 1024119822 /nfs/dbraw/zinc/11/98/22/1024119822.db2.gz LQASWJYMSUOMMS-KRWDZBQOSA-N 0 1 319.832 3.735 20 10 DHCDMN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789586343 1024119828 /nfs/dbraw/zinc/11/98/28/1024119828.db2.gz LQASWJYMSUOMMS-KRWDZBQOSA-N 0 1 319.832 3.735 20 10 DHCDMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccc(N(C)C)cc1 ZINC000268902744 1024190673 /nfs/dbraw/zinc/19/06/73/1024190673.db2.gz MNBBERHLYRQIQM-LJQANCHMSA-N 0 1 322.456 3.950 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000883272420 1024341980 /nfs/dbraw/zinc/34/19/80/1024341980.db2.gz LUFGQKUDAQQEMT-MPKXVKKWSA-N 0 1 317.351 3.877 20 10 DHCDMN COc1cccc([C@@H](C)NCc2cc(O)ccc2Cl)c1O ZINC000883327167 1024377993 /nfs/dbraw/zinc/37/79/93/1024377993.db2.gz SGISBSKPMTUMEW-SNVBAGLBSA-N 0 1 307.777 3.611 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)c2c1c(F)ccc2[O-] ZINC000883381235 1024414277 /nfs/dbraw/zinc/41/42/77/1024414277.db2.gz JHYXXEFIORAZBB-FZMZJTMJSA-N 0 1 305.393 3.628 20 10 DHCDMN COc1cccc(CN[C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883382222 1024416206 /nfs/dbraw/zinc/41/62/06/1024416206.db2.gz BRHQARAKWBTGQW-RDJZCZTQSA-N 0 1 301.361 3.516 20 10 DHCDMN C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1O)C(F)F ZINC000883399507 1024427594 /nfs/dbraw/zinc/42/75/94/1024427594.db2.gz OYHGWWGQZNAZAW-NTSWFWBYSA-N 0 1 312.129 3.598 20 10 DHCDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1 ZINC000271281360 1024481399 /nfs/dbraw/zinc/48/13/99/1024481399.db2.gz CMPCNAPUCYLMFG-AWEZNQCLSA-N 0 1 301.409 3.918 20 10 DHCDMN c1csc(SCCCNCc2nc3ccccc3o2)n1 ZINC000877061359 1033222102 /nfs/dbraw/zinc/22/21/02/1033222102.db2.gz FTDDBDFSEAYSAE-UHFFFAOYSA-N 0 1 305.428 3.556 20 10 DHCDMN CN(C)c1ccc(CN(C)Cc2ccoc2)c(C(F)(F)F)c1 ZINC000792794418 1024791972 /nfs/dbraw/zinc/79/19/72/1024791972.db2.gz ZZSZDDLYJCAZPM-UHFFFAOYSA-N 0 1 312.335 3.996 20 10 DHCDMN CCCOc1ncccc1CNCc1c(O)cccc1Cl ZINC000113328648 1024797773 /nfs/dbraw/zinc/79/77/73/1024797773.db2.gz GDKCUNSWJQHXBM-UHFFFAOYSA-N 0 1 306.793 3.519 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccns2)c1[O-] ZINC000860054389 1033293542 /nfs/dbraw/zinc/29/35/42/1033293542.db2.gz PGFXDXMUUHERMS-MRVPVSSYSA-N 0 1 310.806 3.556 20 10 DHCDMN CCN(CC)c1ccc(CN[C@H]2CCc3cccnc32)cc1F ZINC000886524578 1025678403 /nfs/dbraw/zinc/67/84/03/1025678403.db2.gz MXVOPOFEPVIXSU-KRWDZBQOSA-N 0 1 313.420 3.844 20 10 DHCDMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccccc1O ZINC000075829213 1025853093 /nfs/dbraw/zinc/85/30/93/1025853093.db2.gz HIYUSCBEOTWVKC-UHFFFAOYSA-N 0 1 312.413 3.551 20 10 DHCDMN Cc1ccccc1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838938 1026122936 /nfs/dbraw/zinc/12/29/36/1026122936.db2.gz UDIFSKQOXVXWOF-UHFFFAOYSA-N 0 1 324.207 3.866 20 10 DHCDMN Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807837201 1026130966 /nfs/dbraw/zinc/13/09/66/1026130966.db2.gz GNOWYTCSSIOZEZ-UHFFFAOYSA-N 0 1 324.207 3.866 20 10 DHCDMN CCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000807838610 1026132112 /nfs/dbraw/zinc/13/21/12/1026132112.db2.gz ZCFVGHBRPRBFLB-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1 ZINC000807837289 1026132389 /nfs/dbraw/zinc/13/23/89/1026132389.db2.gz JZEWDDLWEWDLFI-UHFFFAOYSA-N 0 1 314.143 3.768 20 10 DHCDMN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000245717931 1026159345 /nfs/dbraw/zinc/15/93/45/1026159345.db2.gz HJIQAJRQSCZMRF-CXAGYDPISA-N 0 1 303.427 3.724 20 10 DHCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245730927 1026177741 /nfs/dbraw/zinc/17/77/41/1026177741.db2.gz JUPWUOCBZAOHHU-IINYFYTJSA-N 0 1 316.228 3.700 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccncc1Cl ZINC000808090021 1026201978 /nfs/dbraw/zinc/20/19/78/1026201978.db2.gz PAPKMRHIYMPHHG-UHFFFAOYSA-N 0 1 303.576 3.781 20 10 DHCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809700202 1026587499 /nfs/dbraw/zinc/58/74/99/1026587499.db2.gz ACNVTONEKXUGKH-NWDGAFQWSA-N 0 1 315.816 3.700 20 10 DHCDMN [O-]c1c(Br)cccc1C[N@H+]1CCCc2occc2C1 ZINC000809792186 1026629714 /nfs/dbraw/zinc/62/97/14/1026629714.db2.gz LHZYBZAJVXZKLN-UHFFFAOYSA-N 0 1 322.202 3.696 20 10 DHCDMN CC[C@H]([NH2+]CC1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215089 1026708050 /nfs/dbraw/zinc/70/80/50/1026708050.db2.gz QLFBQBJNGNCUMZ-AWEZNQCLSA-N 0 1 317.351 3.878 20 10 DHCDMN CC[C@@H]([NH2+]CCN(C)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215593 1026709150 /nfs/dbraw/zinc/70/91/50/1026709150.db2.gz HSTWBFQQGDDYFQ-CQSZACIVSA-N 0 1 318.383 3.792 20 10 DHCDMN CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220043 1026710514 /nfs/dbraw/zinc/71/05/14/1026710514.db2.gz ZXUCXLKDPOYSAC-AAEUAGOBSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810220340 1026712238 /nfs/dbraw/zinc/71/22/38/1026712238.db2.gz VQDWSQSHKQGMCB-WDMOLILDSA-N 0 1 319.367 3.859 20 10 DHCDMN CC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224877 1026712650 /nfs/dbraw/zinc/71/26/50/1026712650.db2.gz ZNPKOUWDAWOAED-AAEUAGOBSA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H](O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810224883 1026713239 /nfs/dbraw/zinc/71/32/39/1026713239.db2.gz ZNPKOUWDAWOAED-YPMHNXCESA-N 0 1 305.340 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226801 1026713693 /nfs/dbraw/zinc/71/36/93/1026713693.db2.gz LOJZZVIOKUDXKL-ZIAGYGMSSA-N 0 1 317.351 3.613 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229416 1026714960 /nfs/dbraw/zinc/71/49/60/1026714960.db2.gz XKEGXDYLKZLXDV-TVQRCGJNSA-N 0 1 313.323 3.936 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212123 1026718473 /nfs/dbraw/zinc/71/84/73/1026718473.db2.gz MFEJNFUSNVEXAJ-GWCFXTLKSA-N 0 1 305.340 3.734 20 10 DHCDMN CC[C@H](C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])OC ZINC000810261060 1026721058 /nfs/dbraw/zinc/72/10/58/1026721058.db2.gz SVPGPPRVLNMUDH-YPMHNXCESA-N 0 1 305.340 3.877 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(F)CCCCC1 ZINC000811529409 1027021365 /nfs/dbraw/zinc/02/13/65/1027021365.db2.gz ODQQKFLIPRWTGS-UHFFFAOYSA-N 0 1 320.191 3.988 20 10 DHCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C1CC1 ZINC000811513906 1027028512 /nfs/dbraw/zinc/02/85/12/1027028512.db2.gz VODXUHVKIUEQJX-AWEZNQCLSA-N 0 1 310.781 3.574 20 10 DHCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000812776855 1027400756 /nfs/dbraw/zinc/40/07/56/1027400756.db2.gz QOBOMOTZBSZLDW-GFCCVEGCSA-N 0 1 304.217 3.698 20 10 DHCDMN COc1ccc(O)c([C@H](C)NCc2cc(F)c(F)cc2F)c1 ZINC000813332075 1027609314 /nfs/dbraw/zinc/60/93/14/1027609314.db2.gz ZOJKSBFHNSWBFE-VIFPVBQESA-N 0 1 311.303 3.669 20 10 DHCDMN CCc1[nH]ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684878 1027696265 /nfs/dbraw/zinc/69/62/65/1027696265.db2.gz PCNAYOVLAFKAHX-UHFFFAOYSA-N 0 1 313.184 3.520 20 10 DHCDMN Cc1ccoc1C[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000814174319 1027912012 /nfs/dbraw/zinc/91/20/12/1027912012.db2.gz DCCCGIFXHLRXFX-UHFFFAOYSA-N 0 1 324.218 3.997 20 10 DHCDMN CC1(C)CN(Cc2cc3c(cc2O)CCC3)[C@H]1c1ccncc1 ZINC000814227917 1027963136 /nfs/dbraw/zinc/96/31/36/1027963136.db2.gz PVLHDEFMXOASEA-IBGZPJMESA-N 0 1 308.425 3.859 20 10 DHCDMN COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000527992689 1028016539 /nfs/dbraw/zinc/01/65/39/1028016539.db2.gz ZUUTXPCUBSBRPK-AWEZNQCLSA-N 0 1 322.408 3.842 20 10 DHCDMN CCCCN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccccc1O ZINC000814635549 1028130817 /nfs/dbraw/zinc/13/08/17/1028130817.db2.gz FGMYMQYXHGSFFT-UHFFFAOYSA-N 0 1 316.449 3.610 20 10 DHCDMN CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000367308751 1028163823 /nfs/dbraw/zinc/16/38/23/1028163823.db2.gz QXVCVRHUSAFPKB-MTNOOBJLSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000367308751 1028163827 /nfs/dbraw/zinc/16/38/27/1028163827.db2.gz QXVCVRHUSAFPKB-MTNOOBJLSA-N 0 1 303.446 3.859 20 10 DHCDMN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000367308751 1028163835 /nfs/dbraw/zinc/16/38/35/1028163835.db2.gz QXVCVRHUSAFPKB-MTNOOBJLSA-N 0 1 303.446 3.859 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368241942 1028325388 /nfs/dbraw/zinc/32/53/88/1028325388.db2.gz HHMPNYJKSMLAEI-QGZVFWFLSA-N 0 1 311.425 3.794 20 10 DHCDMN CC[C@@H](c1ccccc1O)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000372267304 1028835264 /nfs/dbraw/zinc/83/52/64/1028835264.db2.gz KCQPKNYSONRRNZ-IBGZPJMESA-N 0 1 324.424 3.860 20 10 DHCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483870 1028891586 /nfs/dbraw/zinc/89/15/86/1028891586.db2.gz IFNIHHAFOSXTLY-UHFFFAOYSA-N 0 1 315.175 3.865 20 10 DHCDMN CCOC(=O)CN(Cc1ccc2ccccc2c1O)CC(C)C ZINC000816491800 1028900082 /nfs/dbraw/zinc/90/00/82/1028900082.db2.gz ZAWOCYQFVWJYNX-UHFFFAOYSA-N 0 1 315.413 3.567 20 10 DHCDMN CCCCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816541683 1028925650 /nfs/dbraw/zinc/92/56/50/1028925650.db2.gz RQKDKBWHLGYLEQ-UHFFFAOYSA-N 0 1 314.832 3.539 20 10 DHCDMN [O-]c1c(C[NH2+]CCCCNc2ccccn2)ccc2ccccc21 ZINC000816546799 1028929005 /nfs/dbraw/zinc/92/90/05/1028929005.db2.gz WQHAIGATFLKJEQ-UHFFFAOYSA-N 0 1 321.424 3.922 20 10 DHCDMN CCn1nc(C)c(C[NH2+]Cc2ccc3ccccc3c2[O-])c1C ZINC000816545838 1028930344 /nfs/dbraw/zinc/93/03/44/1028930344.db2.gz KFPKYXZBMPTEJG-UHFFFAOYSA-N 0 1 309.413 3.668 20 10 DHCDMN [O-]c1c(C[NH2+]CC2(CO)CC3(CCC3)C2)ccc2ccccc21 ZINC000816593921 1028939344 /nfs/dbraw/zinc/93/93/44/1028939344.db2.gz JNLNOUOQEUNMBL-UHFFFAOYSA-N 0 1 311.425 3.578 20 10 DHCDMN CC(C)Cn1ccnc1CNCc1ccc2ccccc2c1O ZINC000816563187 1028946318 /nfs/dbraw/zinc/94/63/18/1028946318.db2.gz NFPMCVBHBKRCRV-UHFFFAOYSA-N 0 1 309.413 3.688 20 10 DHCDMN [O-]c1c(C[NH2+]C[C@@H](CO)CC2CCCC2)ccc2ccccc21 ZINC000816598540 1028955502 /nfs/dbraw/zinc/95/55/02/1028955502.db2.gz GQENDSDHMUMKRS-INIZCTEOSA-N 0 1 313.441 3.824 20 10 DHCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000816610629 1028959965 /nfs/dbraw/zinc/95/99/65/1028959965.db2.gz RTFVKAZVYLLDPK-HNNXBMFYSA-N 0 1 306.768 3.917 20 10 DHCDMN Oc1c(CNCc2noc3c2CCCC3)ccc2ccccc21 ZINC000816612914 1028964374 /nfs/dbraw/zinc/96/43/74/1028964374.db2.gz AYDKKVZHKNKDLK-UHFFFAOYSA-N 0 1 308.381 3.702 20 10 DHCDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000816615569 1028965441 /nfs/dbraw/zinc/96/54/41/1028965441.db2.gz ZHBLCDIKSLJAEL-GFCCVEGCSA-N 0 1 315.816 3.964 20 10 DHCDMN [O-]c1c(C[NH2+]CC[C@H](O)c2ccccc2)ccc2ccccc21 ZINC000816611767 1028966540 /nfs/dbraw/zinc/96/65/40/1028966540.db2.gz WYZNZBGGMSHBBA-IBGZPJMESA-N 0 1 307.393 3.759 20 10 DHCDMN Cc1cccc(CN2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1O ZINC000816643151 1028967293 /nfs/dbraw/zinc/96/72/93/1028967293.db2.gz WMROTGBFODFQJI-OAHLLOKOSA-N 0 1 317.351 3.632 20 10 DHCDMN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413274 1029153319 /nfs/dbraw/zinc/15/33/19/1029153319.db2.gz VNFLLCQQTPOTMC-CVEARBPZSA-N 0 1 311.425 3.510 20 10 DHCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817413274 1029153326 /nfs/dbraw/zinc/15/33/26/1029153326.db2.gz VNFLLCQQTPOTMC-CVEARBPZSA-N 0 1 311.425 3.510 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817602079 1029223456 /nfs/dbraw/zinc/22/34/56/1029223456.db2.gz AKACLOGVVFLHSZ-AEJSXWLSSA-N 0 1 314.212 3.751 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000817958640 1029298089 /nfs/dbraw/zinc/29/80/89/1029298089.db2.gz KZDPVZQWLNRLMD-QWHCGFSZSA-N 0 1 305.249 3.723 20 10 DHCDMN CCN(CC)c1ccc(CNCc2cncn2C(C)C)cc1F ZINC000818187299 1029351016 /nfs/dbraw/zinc/35/10/16/1029351016.db2.gz XAYHWKOHCPRCSV-UHFFFAOYSA-N 0 1 318.440 3.739 20 10 DHCDMN CCCOc1ccc(CNc2ncc(C(F)(F)F)[nH]2)c(O)c1 ZINC000290505103 1030078298 /nfs/dbraw/zinc/07/82/98/1030078298.db2.gz AHUUEOVXLDTZKY-UHFFFAOYSA-N 0 1 315.295 3.535 20 10 DHCDMN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(OC)n1 ZINC000924861131 1030209370 /nfs/dbraw/zinc/20/93/70/1030209370.db2.gz IHHSHMKBJVJADE-OAHLLOKOSA-N 0 1 317.408 3.536 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777554202 1030336758 /nfs/dbraw/zinc/33/67/58/1030336758.db2.gz VBQARVQUBLBDEA-QGZVFWFLSA-N 0 1 311.425 3.936 20 10 DHCDMN Cc1cn[nH]c1CN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000291649340 1030584053 /nfs/dbraw/zinc/58/40/53/1030584053.db2.gz UKIHQNTYWWEIGV-UHFFFAOYSA-N 0 1 324.428 3.580 20 10 DHCDMN COc1cc(C[N@@H+](C)Cc2ccoc2)c(O)c(C(C)(C)C)c1 ZINC000824606972 1030594003 /nfs/dbraw/zinc/59/40/03/1030594003.db2.gz ZUHRZOGQLHGDOJ-UHFFFAOYSA-N 0 1 303.402 3.923 20 10 DHCDMN COc1cc(CN(C)Cc2ccoc2)c(O)c(C(C)(C)C)c1 ZINC000824606972 1030594015 /nfs/dbraw/zinc/59/40/15/1030594015.db2.gz ZUHRZOGQLHGDOJ-UHFFFAOYSA-N 0 1 303.402 3.923 20 10 DHCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939592 1030676604 /nfs/dbraw/zinc/67/66/04/1030676604.db2.gz YCUQMCXXHQXJKQ-UONOGXRCSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939592 1030676608 /nfs/dbraw/zinc/67/66/08/1030676608.db2.gz YCUQMCXXHQXJKQ-UONOGXRCSA-N 0 1 309.837 3.603 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824939592 1030676614 /nfs/dbraw/zinc/67/66/14/1030676614.db2.gz YCUQMCXXHQXJKQ-UONOGXRCSA-N 0 1 309.837 3.603 20 10 DHCDMN COc1ccc(C)cc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825083568 1030718981 /nfs/dbraw/zinc/71/89/81/1030718981.db2.gz HMHWOLJFFJPYSQ-UHFFFAOYSA-N 0 1 305.805 3.961 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1Cl ZINC000825254574 1030761151 /nfs/dbraw/zinc/76/11/51/1030761151.db2.gz RVJHNINUEOGIQZ-LBPRGKRZSA-N 0 1 307.825 3.982 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)cc1Cl ZINC000825278637 1030764516 /nfs/dbraw/zinc/76/45/16/1030764516.db2.gz MYGXIQRTNNMWAX-PIGZYNQJSA-N 0 1 323.795 3.705 20 10 DHCDMN CCCCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c(C)n1 ZINC000825406652 1030802879 /nfs/dbraw/zinc/80/28/79/1030802879.db2.gz WHUYJYXJVWSVND-UHFFFAOYSA-N 0 1 321.852 3.949 20 10 DHCDMN C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502127 1030827815 /nfs/dbraw/zinc/82/78/15/1030827815.db2.gz ULNRMMSRCXPATG-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502127 1030827837 /nfs/dbraw/zinc/82/78/37/1030827837.db2.gz ULNRMMSRCXPATG-NSHDSACASA-N 0 1 321.218 3.743 20 10 DHCDMN Cc1ccc(O)c([C@@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000926917981 1030992415 /nfs/dbraw/zinc/99/24/15/1030992415.db2.gz GFVDJJQSAPQGDG-GFCCVEGCSA-N 0 1 302.443 3.887 20 10 DHCDMN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000927067698 1031066949 /nfs/dbraw/zinc/06/69/49/1031066949.db2.gz CYJXPXBTEFCRLO-PLQHRBFRSA-N 0 1 309.837 3.901 20 10 DHCDMN COc1cccc([C@@H](C)NCc2c(F)cc(C)cc2F)c1O ZINC000927094486 1031084365 /nfs/dbraw/zinc/08/43/65/1031084365.db2.gz XXHSASOOOLKBJW-LLVKDONJSA-N 0 1 307.340 3.838 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000844920880 1031401688 /nfs/dbraw/zinc/40/16/88/1031401688.db2.gz NTZOWIWHAPFSIP-FZMZJTMJSA-N 0 1 302.805 3.733 20 10 DHCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1F ZINC000872030133 1031415042 /nfs/dbraw/zinc/41/50/42/1031415042.db2.gz ZOVSOVFPDBMFLQ-CYBMUJFWSA-N 0 1 314.404 3.765 20 10 DHCDMN Oc1cc(F)c(Br)cc1CN1CCC(F)(F)CC1 ZINC001144299216 1031439237 /nfs/dbraw/zinc/43/92/37/1031439237.db2.gz RURKYZMQHIZXPN-UHFFFAOYSA-N 0 1 324.140 3.525 20 10 DHCDMN C[C@]1(F)CCCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144299124 1031439668 /nfs/dbraw/zinc/43/96/68/1031439668.db2.gz PVDPUEACFYLCDO-ZDUSSCGKSA-N 0 1 320.177 3.618 20 10 DHCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H](C)C1 ZINC001144306476 1031452139 /nfs/dbraw/zinc/45/21/39/1031452139.db2.gz DARJJORCHWHBQL-NXEZZACHSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144306478 1031452841 /nfs/dbraw/zinc/45/28/41/1031452841.db2.gz DARJJORCHWHBQL-VHSXEESVSA-N 0 1 316.214 3.914 20 10 DHCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@@H](C)C1 ZINC001144306477 1031453041 /nfs/dbraw/zinc/45/30/41/1031453041.db2.gz DARJJORCHWHBQL-UWVGGRQHSA-N 0 1 316.214 3.914 20 10 DHCDMN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1 ZINC000929185765 1031460138 /nfs/dbraw/zinc/46/01/38/1031460138.db2.gz YWXNKRNEJONYRI-UHFFFAOYSA-N 0 1 324.472 3.716 20 10 DHCDMN Oc1ccc(CN2CCc3cccc(O)c3C2)c(C(F)(F)F)c1 ZINC001144391616 1031514003 /nfs/dbraw/zinc/51/40/03/1031514003.db2.gz RUAWUBMNGXUKJN-UHFFFAOYSA-N 0 1 323.314 3.675 20 10 DHCDMN CCc1noc(C)c1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000293696443 1031573967 /nfs/dbraw/zinc/57/39/67/1031573967.db2.gz LPWDEWMUDASGMM-QGZVFWFLSA-N 0 1 301.434 3.852 20 10 DHCDMN C[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872803883 1031665203 /nfs/dbraw/zinc/66/52/03/1031665203.db2.gz DTZPOGJFNBKTLE-OAHLLOKOSA-N 0 1 310.319 3.715 20 10 DHCDMN C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000872803883 1031665207 /nfs/dbraw/zinc/66/52/07/1031665207.db2.gz DTZPOGJFNBKTLE-OAHLLOKOSA-N 0 1 310.319 3.715 20 10 DHCDMN [NH3+][C@@H]1C[C@H]1c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000873214353 1031760227 /nfs/dbraw/zinc/76/02/27/1031760227.db2.gz CRHSSLRALSNRSW-SMDDNHRTSA-N 0 1 306.768 3.611 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@](C)(O)c1ccccc1 ZINC000846185288 1031918642 /nfs/dbraw/zinc/91/86/42/1031918642.db2.gz AZVOPRJROIOGLH-VEVIJQCQSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000846187091 1031919467 /nfs/dbraw/zinc/91/94/67/1031919467.db2.gz IEZQUWQOJSPUFA-VWCVUJCZSA-N 0 1 319.420 3.874 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877709779 1033420825 /nfs/dbraw/zinc/42/08/25/1033420825.db2.gz IFDSPFXENAFICY-CXAGYDPISA-N 0 1 309.837 3.649 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877709782 1033421744 /nfs/dbraw/zinc/42/17/44/1033421744.db2.gz IFDSPFXENAFICY-SUMWQHHRSA-N 0 1 309.837 3.649 20 10 DHCDMN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877842155 1033482273 /nfs/dbraw/zinc/48/22/73/1033482273.db2.gz FNCLFXFKZOTQOS-MRXNPFEDSA-N 0 1 318.323 3.647 20 10 DHCDMN CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877846866 1033483918 /nfs/dbraw/zinc/48/39/18/1033483918.db2.gz IZBDAGJRFVFTLT-CQSZACIVSA-N 0 1 324.714 3.520 20 10 DHCDMN COc1cccc([C@H](C)NCc2c(F)cc(C)cc2F)c1O ZINC000927094857 1033675852 /nfs/dbraw/zinc/67/58/52/1033675852.db2.gz XXHSASOOOLKBJW-NSHDSACASA-N 0 1 307.340 3.838 20 10 DHCDMN CSCC[C@H](C)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862246742 1033794736 /nfs/dbraw/zinc/79/47/36/1033794736.db2.gz BZRLLPAGWQFHHH-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN CSCC[C@H](C)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862246742 1033794750 /nfs/dbraw/zinc/79/47/50/1033794750.db2.gz BZRLLPAGWQFHHH-JTQLQIEISA-N 0 1 318.280 3.728 20 10 DHCDMN COc1cc(Cl)cc(CN2CC(Cc3cccs3)C2)c1O ZINC000862539265 1033877638 /nfs/dbraw/zinc/87/76/38/1033877638.db2.gz JZOVAKSHUGTDRS-UHFFFAOYSA-N 0 1 323.845 3.790 20 10 DHCDMN CCCOc1ccc(CNC(C)(C)c2ncc(C)s2)c(O)c1 ZINC000175982673 1034060537 /nfs/dbraw/zinc/06/05/37/1034060537.db2.gz ZFRGHLJUKQPZHA-UHFFFAOYSA-N 0 1 320.458 3.971 20 10 DHCDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000863527948 1034118930 /nfs/dbraw/zinc/11/89/30/1034118930.db2.gz PAHITAPHTHISFJ-SFHVURJKSA-N 0 1 318.461 3.608 20 10 DHCDMN CN1CCN(c2ccc(CNc3ccc4occc4c3)cc2)CC1 ZINC000864017420 1034255092 /nfs/dbraw/zinc/25/50/92/1034255092.db2.gz JYPYENJWHOUMNW-UHFFFAOYSA-N 0 1 321.424 3.797 20 10 DHCDMN COC(=O)[C@H](C)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864015784 1034255788 /nfs/dbraw/zinc/25/57/88/1034255788.db2.gz WBYCDMVMOPBCBF-SNVBAGLBSA-N 0 1 321.323 3.559 20 10 DHCDMN Oc1c(CNc2cccc(-c3cnco3)c2)ccc(F)c1F ZINC000864025017 1034262396 /nfs/dbraw/zinc/26/23/96/1034262396.db2.gz MIUNXSWCELTHHO-UHFFFAOYSA-N 0 1 302.280 3.938 20 10 DHCDMN CCN(Cc1cnn(C(C)C)c1)Cc1ccc(N(C)C)cc1 ZINC000179491314 1034312795 /nfs/dbraw/zinc/31/27/95/1034312795.db2.gz KFRVPQNBBAMJCG-UHFFFAOYSA-N 0 1 300.450 3.552 20 10 DHCDMN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183679084 1034411121 /nfs/dbraw/zinc/41/11/21/1034411121.db2.gz JAULPZIXBVQXNG-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000183679084 1034411131 /nfs/dbraw/zinc/41/11/31/1034411131.db2.gz JAULPZIXBVQXNG-LLVKDONJSA-N 0 1 321.218 3.743 20 10 DHCDMN CC[C@H](NCc1nccn1CC(C)C)c1ccc(C)cc1O ZINC000794801892 1034472276 /nfs/dbraw/zinc/47/22/76/1034472276.db2.gz LMRQCWHTWHIANJ-INIZCTEOSA-N 0 1 301.434 3.794 20 10 DHCDMN Cc1csc(CN[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000184954795 1034516163 /nfs/dbraw/zinc/51/61/63/1034516163.db2.gz FKRNMJMZYQDTSV-GFCCVEGCSA-N 0 1 302.443 3.887 20 10 DHCDMN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000185162242 1034533934 /nfs/dbraw/zinc/53/39/34/1034533934.db2.gz VYIOMOOTRKYWAI-MGPLVRAMSA-N 0 1 309.768 3.569 20 10 DHCDMN Nc1ccc(N(c2ccc(N)cc2)c2ccc3n[nH]nc3c2)cc1 ZINC001176003581 1035182466 /nfs/dbraw/zinc/18/24/66/1035182466.db2.gz RTDORXBPTAIUIZ-UHFFFAOYSA-N 0 1 316.368 3.592 20 10 DHCDMN Nc1ccc(N(c2ccc(N)cc2)c2ccc3nn[nH]c3c2)cc1 ZINC001176003581 1035182470 /nfs/dbraw/zinc/18/24/70/1035182470.db2.gz RTDORXBPTAIUIZ-UHFFFAOYSA-N 0 1 316.368 3.592 20 10 DHCDMN CCOCc1cc(CNCc2ccc(F)c(F)c2)ccc1OC ZINC001177487988 1035373388 /nfs/dbraw/zinc/37/33/88/1035373388.db2.gz ZKSOGWHZBUJGFJ-UHFFFAOYSA-N 0 1 321.367 3.800 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNc1cnccc1-n1cccn1 ZINC001178310864 1035423201 /nfs/dbraw/zinc/42/32/01/1035423201.db2.gz LXFGFZDEAKHWAJ-UHFFFAOYSA-N 0 1 317.396 3.680 20 10 DHCDMN CCN(C)c1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000773834826 1035517162 /nfs/dbraw/zinc/51/71/62/1035517162.db2.gz UWEBRGAZIYMYTC-AWEZNQCLSA-N 0 1 313.401 3.902 20 10 DHCDMN COc1ccc(Cl)cc1CN(C)Cc1ccc(C)cc1O ZINC001179862757 1035521392 /nfs/dbraw/zinc/52/13/92/1035521392.db2.gz COROHNCETTYHJJ-UHFFFAOYSA-N 0 1 305.805 3.995 20 10 DHCDMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC001179958401 1035561764 /nfs/dbraw/zinc/56/17/64/1035561764.db2.gz ZNGPGHSFFAXTKP-GOEBONIOSA-N 0 1 315.816 3.820 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOC3(C2)CCCCCC3)ccc(F)c1F ZINC001180077239 1035586077 /nfs/dbraw/zinc/58/60/77/1035586077.db2.gz OFKJVQVTTCCEDM-UHFFFAOYSA-N 0 1 311.372 3.596 20 10 DHCDMN CC[C@@H](NCc1ccc(N(C)CC)cc1)c1c(C)noc1C ZINC000773838859 1035597854 /nfs/dbraw/zinc/59/78/54/1035597854.db2.gz NKPFVUILRJQREW-QGZVFWFLSA-N 0 1 301.434 3.988 20 10 DHCDMN CCOc1ccc(C)cc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193624590 1035676781 /nfs/dbraw/zinc/67/67/81/1035676781.db2.gz FZPXXCSFHLFNAQ-UHFFFAOYSA-N 0 1 321.760 3.711 20 10 DHCDMN CCOc1ccc(CN(CC)Cc2ccc(N(C)C)cc2)o1 ZINC001180480090 1035682041 /nfs/dbraw/zinc/68/20/41/1035682041.db2.gz WSRABNDIKXPLBX-UHFFFAOYSA-N 0 1 302.418 3.766 20 10 DHCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCC2(CC2)C1 ZINC001181114119 1035837554 /nfs/dbraw/zinc/83/75/54/1035837554.db2.gz SARKACZHNUESRD-UHFFFAOYSA-N 0 1 314.198 3.670 20 10 DHCDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160666 1036207912 /nfs/dbraw/zinc/20/79/12/1036207912.db2.gz ZBINBKFRUJBJNB-ZJUUUORDSA-N 0 1 305.249 3.690 20 10 DHCDMN COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000192945065 1036276126 /nfs/dbraw/zinc/27/61/26/1036276126.db2.gz PUDJBEDUUYCRAC-ZDUSSCGKSA-N 0 1 308.381 3.800 20 10 DHCDMN Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(Cl)cc2[O-])nc1 ZINC001182891574 1036476007 /nfs/dbraw/zinc/47/60/07/1036476007.db2.gz LWGYDSOBSCWWNQ-UHFFFAOYSA-N 0 1 304.821 3.816 20 10 DHCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2O)c1[O-] ZINC001197004492 1036667697 /nfs/dbraw/zinc/66/76/97/1036667697.db2.gz UFNAMNXKXUGTTO-SNVBAGLBSA-N 0 1 319.788 3.805 20 10 DHCDMN Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)oc1C ZINC000282099932 1036796746 /nfs/dbraw/zinc/79/67/46/1036796746.db2.gz IPOXMXPCMNKEBZ-HNNXBMFYSA-N 0 1 314.429 3.584 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(C2CC2)nn1 ZINC000762651343 1036894016 /nfs/dbraw/zinc/89/40/16/1036894016.db2.gz ISJJAKISCVXESI-UHFFFAOYSA-N 0 1 310.184 3.979 20 10 DHCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC001326116497 1037115596 /nfs/dbraw/zinc/11/55/96/1037115596.db2.gz QXHPZRXHDIPVQL-QWRGUYRKSA-N 0 1 313.825 3.817 20 10 DHCDMN Cc1cc(C)cc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001199498933 1037272418 /nfs/dbraw/zinc/27/24/18/1037272418.db2.gz WNOYFCHUMUWJPO-UHFFFAOYSA-N 0 1 309.457 3.667 20 10 DHCDMN CCOc1ncccc1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000151197055 1037759988 /nfs/dbraw/zinc/75/99/88/1037759988.db2.gz OFANUBOISZFVOP-SFHVURJKSA-N 0 1 313.445 3.787 20 10 DHCDMN COc1ccc2c(c1)c1c(n2C)CCN(CCc2ccccc2)C1 ZINC001201603775 1037806686 /nfs/dbraw/zinc/80/66/86/1037806686.db2.gz RIORNIUYDOVZPS-UHFFFAOYSA-N 0 1 320.436 3.788 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000775492221 1038565156 /nfs/dbraw/zinc/56/51/56/1038565156.db2.gz NPBKGVQORCLVPD-RDJZCZTQSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000775492217 1038565744 /nfs/dbraw/zinc/56/57/44/1038565744.db2.gz NPBKGVQORCLVPD-DOTOQJQBSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000775492224 1038566442 /nfs/dbraw/zinc/56/64/42/1038566442.db2.gz NPBKGVQORCLVPD-WBVHZDCISA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000775492772 1038571328 /nfs/dbraw/zinc/57/13/28/1038571328.db2.gz QWRQEWAGFZDDGS-HUUCEWRRSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Cl)ccc1[O-] ZINC000775492773 1038572246 /nfs/dbraw/zinc/57/22/46/1038572246.db2.gz QWRQEWAGFZDDGS-LSDHHAIUSA-N 0 1 319.836 3.897 20 10 DHCDMN CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493363 1038578692 /nfs/dbraw/zinc/57/86/92/1038578692.db2.gz YWXILCPHDADFBJ-HNNXBMFYSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000775513860 1038608587 /nfs/dbraw/zinc/60/85/87/1038608587.db2.gz VJLHLNOWLZVHHJ-KNXALSJPSA-N 0 1 308.853 3.569 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000775555220 1038711570 /nfs/dbraw/zinc/71/15/70/1038711570.db2.gz UHSULFRQAZBIMO-UONOGXRCSA-N 0 1 311.834 3.881 20 10 DHCDMN CC[C@@H]([NH2+]CCOC(C)C)c1cc(Br)ccc1[O-] ZINC000157983143 1039745464 /nfs/dbraw/zinc/74/54/64/1039745464.db2.gz HYESJQKQNNNBQW-CYBMUJFWSA-N 0 1 316.239 3.620 20 10 DHCDMN Cc1cc(Cl)cc(CNCc2nn(C)c3ccccc23)c1O ZINC000761226530 1040823272 /nfs/dbraw/zinc/82/32/72/1040823272.db2.gz RAORHBYMBVWBJF-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN CC(C)(C)c1csc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000297576176 535149091 /nfs/dbraw/zinc/14/90/91/535149091.db2.gz GWTJJQUBFZQZEE-GFCCVEGCSA-N 0 1 302.443 3.923 20 10 DHCDMN CC[C@H](c1ccncc1)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000092223781 193176741 /nfs/dbraw/zinc/17/67/41/193176741.db2.gz PYFDGRWIGYGCLD-QGZVFWFLSA-N 0 1 316.376 3.712 20 10 DHCDMN Cc1noc(CCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000273443568 130121986 /nfs/dbraw/zinc/12/19/86/130121986.db2.gz DRTDSACVCZQMSL-GFCCVEGCSA-N 0 1 311.385 3.520 20 10 DHCDMN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000273591951 130141979 /nfs/dbraw/zinc/14/19/79/130141979.db2.gz PNMUSEUQCYDHKO-SUMWQHHRSA-N 0 1 311.381 3.831 20 10 DHCDMN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)cc1[O-] ZINC000273605166 130143331 /nfs/dbraw/zinc/14/33/31/130143331.db2.gz TWWJIJCHXIGRMF-KOLCDFICSA-N 0 1 316.264 3.701 20 10 DHCDMN C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273618460 130145694 /nfs/dbraw/zinc/14/56/94/130145694.db2.gz YJIFWPWHGBHVID-IUCAKERBSA-N 0 1 311.731 3.664 20 10 DHCDMN Cc1ccc([C@H](C)NCc2ccn(Cc3ccccc3)n2)c(O)c1 ZINC000284361156 131073037 /nfs/dbraw/zinc/07/30/37/131073037.db2.gz MZJFTFYTUVINFA-INIZCTEOSA-N 0 1 321.424 3.796 20 10 DHCDMN CCCOc1ccc(CN[C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000285571700 131182672 /nfs/dbraw/zinc/18/26/72/131182672.db2.gz UHIOOLBSMYHNOF-LLVKDONJSA-N 0 1 322.355 3.705 20 10 DHCDMN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000185537436 333370093 /nfs/dbraw/zinc/37/00/93/333370093.db2.gz PYLOPPNOVWVWPS-CQSZACIVSA-N 0 1 301.430 3.995 20 10 DHCDMN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185605755 333370437 /nfs/dbraw/zinc/37/04/37/333370437.db2.gz OXZNEEIXSDTLSY-HUUCEWRRSA-N 0 1 301.430 3.995 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1cccc2c1OCCO2 ZINC000355111724 336495068 /nfs/dbraw/zinc/49/50/68/336495068.db2.gz HVRPSQDMXFQHKQ-UHFFFAOYSA-N 0 1 322.408 3.548 20 10 DHCDMN COc1ccc(O)c([C@H](C)N[C@H]2COc3c2cccc3Cl)c1 ZINC000375243241 337006485 /nfs/dbraw/zinc/00/64/85/337006485.db2.gz VWZARFYSHDYZNC-BONVTDFDSA-N 0 1 319.788 3.839 20 10 DHCDMN C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1O ZINC000183617611 337193741 /nfs/dbraw/zinc/19/37/41/337193741.db2.gz PWDXTNDOSJMQQF-GFCCVEGCSA-N 0 1 311.410 3.762 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185637189 337249806 /nfs/dbraw/zinc/24/98/06/337249806.db2.gz VDVFILKSRLIRAK-UHFFFAOYSA-N 0 1 317.816 3.529 20 10 DHCDMN COc1ccc(CNCc2c(C)c3ccccc3n2C)c(OC)c1 ZINC000392691296 337275209 /nfs/dbraw/zinc/27/52/09/337275209.db2.gz QQFOIVCLOPXZAL-UHFFFAOYSA-N 0 1 324.424 3.794 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCC12CC2 ZINC000529392697 340753837 /nfs/dbraw/zinc/75/38/37/340753837.db2.gz PBKHDPICSBYZHU-LLVKDONJSA-N 0 1 314.212 3.896 20 10 DHCDMN C[C@@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185739080 525837046 /nfs/dbraw/zinc/83/70/46/525837046.db2.gz ZFFVSBSMLMTRBH-IJEWVQPXSA-N 0 1 317.404 3.737 20 10 DHCDMN CCC[N@@H+](Cc1cc(C(=O)[O-])oc1CC)Cc1ccccc1O ZINC000829496847 601415336 /nfs/dbraw/zinc/41/53/36/601415336.db2.gz RMYJNMCAKPPPMF-UHFFFAOYSA-N 0 1 317.385 3.658 20 10 DHCDMN CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001573566509 959289868 /nfs/dbraw/zinc/28/98/68/959289868.db2.gz IMLFOQXKCBKYIN-INIZCTEOSA-N 0 1 305.418 3.735 20 10 DHCDMN C[C@H]1CCCN(c2ccc(CNCc3c[nH]cn3)cc2Cl)C1 ZINC000894663733 1013445832 /nfs/dbraw/zinc/44/58/32/1013445832.db2.gz BFRLHKYGKOHYGX-ZDUSSCGKSA-N 0 1 318.852 3.589 20 10 DHCDMN COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c(O)c1 ZINC000093008478 1013458693 /nfs/dbraw/zinc/45/86/93/1013458693.db2.gz DJQCGSZAMMPUKL-QGZVFWFLSA-N 0 1 313.397 3.747 20 10 DHCDMN CC(C)(C)CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000840998702 969221763 /nfs/dbraw/zinc/22/17/63/969221763.db2.gz OMESZVIYTVNESP-GFCCVEGCSA-N 0 1 317.788 3.554 20 10 DHCDMN Cc1cc(C[N@H+](CC(=O)[O-])CC(C)C)ccc1N1CCCCC1 ZINC000846264672 979434055 /nfs/dbraw/zinc/43/40/55/979434055.db2.gz OGDCILQLJQTKKL-UHFFFAOYSA-N 0 1 318.461 3.528 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000706858337 1014656777 /nfs/dbraw/zinc/65/67/77/1014656777.db2.gz UGYWRAMDFGSGPU-GRYCIOLGSA-N 0 1 310.235 3.681 20 10 DHCDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595408393 980998149 /nfs/dbraw/zinc/99/81/49/980998149.db2.gz JXSVSUMWHGQHIR-YPMHNXCESA-N 0 1 318.392 3.636 20 10 DHCDMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000069628650 1014769696 /nfs/dbraw/zinc/76/96/96/1014769696.db2.gz BENWVKLCHSWNGF-WFASDCNBSA-N 0 1 302.393 3.898 20 10 DHCDMN C[N@H+](Cc1c(O)cccc1Br)CC1CC(F)(F)C1 ZINC000707164638 1015171596 /nfs/dbraw/zinc/17/15/96/1015171596.db2.gz YAPNKJAELZABJZ-UHFFFAOYSA-N 0 1 320.177 3.632 20 10 DHCDMN C[N@@H+](Cc1c([O-])cccc1Br)CC1CC(F)(F)C1 ZINC000707164638 1015171601 /nfs/dbraw/zinc/17/16/01/1015171601.db2.gz YAPNKJAELZABJZ-UHFFFAOYSA-N 0 1 320.177 3.632 20 10 DHCDMN C[N@H+](Cc1c([O-])cccc1Br)CC1CC(F)(F)C1 ZINC000707164638 1015171608 /nfs/dbraw/zinc/17/16/08/1015171608.db2.gz YAPNKJAELZABJZ-UHFFFAOYSA-N 0 1 320.177 3.632 20 10 DHCDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(Cl)c1O ZINC000281074262 1015828369 /nfs/dbraw/zinc/82/83/69/1015828369.db2.gz IPXDKDANDVCKLO-HNNXBMFYSA-N 0 1 319.836 3.989 20 10 DHCDMN CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000281074262 1015828372 /nfs/dbraw/zinc/82/83/72/1015828372.db2.gz IPXDKDANDVCKLO-HNNXBMFYSA-N 0 1 319.836 3.989 20 10 DHCDMN CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000281074262 1015828376 /nfs/dbraw/zinc/82/83/76/1015828376.db2.gz IPXDKDANDVCKLO-HNNXBMFYSA-N 0 1 319.836 3.989 20 10 DHCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCS1 ZINC000896953183 1016957214 /nfs/dbraw/zinc/95/72/14/1016957214.db2.gz WBZMNMLUCQYUQW-JOYOIKCWSA-N 0 1 316.264 3.528 20 10 DHCDMN [O-]c1c(C[NH+]2CCC(O)(C3CCC3)CC2)ccc2ccccc21 ZINC000897037166 1017006391 /nfs/dbraw/zinc/00/63/91/1017006391.db2.gz UFQRDXJNODIVLL-UHFFFAOYSA-N 0 1 311.425 3.672 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000897080256 1017041907 /nfs/dbraw/zinc/04/19/07/1017041907.db2.gz RSVDJOFWSFNCKD-MRXNPFEDSA-N 0 1 307.825 3.574 20 10 DHCDMN CC(C)Oc1ncccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000320530366 1017053905 /nfs/dbraw/zinc/05/39/05/1017053905.db2.gz PSFDLHDUHSJFCM-OAHLLOKOSA-N 0 1 313.445 3.786 20 10 DHCDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ncn1 ZINC000773106007 1032560711 /nfs/dbraw/zinc/56/07/11/1032560711.db2.gz JGUIWFKPXJBARC-INIZCTEOSA-N 0 1 310.445 3.626 20 10 DHCDMN Cc1nc2ccc(NCc3cc4ccccc4cc3O)nc2[nH]1 ZINC001171404961 1032595015 /nfs/dbraw/zinc/59/50/15/1032595015.db2.gz MXXBGENGXDDTCB-UHFFFAOYSA-N 0 1 304.353 3.737 20 10 DHCDMN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000192854325 1017122672 /nfs/dbraw/zinc/12/26/72/1017122672.db2.gz WQLZIKDSAHWXMR-OLZOCXBDSA-N 0 1 309.413 3.999 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C2CCC(OC(F)F)CC2)c(Cl)c1 ZINC000840952325 1017540811 /nfs/dbraw/zinc/54/08/11/1017540811.db2.gz YUZKDJAGOFETBB-UHFFFAOYSA-N 0 1 319.779 3.994 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccoc1)c1cc(Br)ccc1[O-] ZINC000125963714 1018338520 /nfs/dbraw/zinc/33/85/20/1018338520.db2.gz JZTFIFJEPFTSRR-ZDUSSCGKSA-N 0 1 310.191 3.989 20 10 DHCDMN Fc1ccccc1-c1n[nH]c(Sc2ncc(Cl)s2)n1 ZINC000765003033 1018450822 /nfs/dbraw/zinc/45/08/22/1018450822.db2.gz ZUOGCDXQIGAIFO-UHFFFAOYSA-N 0 1 312.782 3.872 20 10 DHCDMN [O-]c1cccc(F)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001137837413 1018649924 /nfs/dbraw/zinc/64/99/24/1018649924.db2.gz FZWVIXYAKHFKTC-INIZCTEOSA-N 0 1 303.402 3.821 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000706808724 1018761764 /nfs/dbraw/zinc/76/17/64/1018761764.db2.gz YQWWLFPFGQANJK-OAHLLOKOSA-N 0 1 318.214 3.932 20 10 DHCDMN C[C@H](CCc1ccco1)[NH2+]Cc1c([O-])cccc1Br ZINC000706843747 1018770504 /nfs/dbraw/zinc/77/05/04/1018770504.db2.gz XHTIYMCNAMITOG-LLVKDONJSA-N 0 1 324.218 3.859 20 10 DHCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000858161859 1032787586 /nfs/dbraw/zinc/78/75/86/1032787586.db2.gz ZCXJSRFECDFAKR-VIFPVBQESA-N 0 1 320.177 3.680 20 10 DHCDMN CC[N@@H+](Cc1cc(Br)cc(F)c1[O-])C(C)(C)C ZINC000715701641 1018940562 /nfs/dbraw/zinc/94/05/62/1018940562.db2.gz FSTSJAAGCLIKCB-UHFFFAOYSA-N 0 1 304.203 3.914 20 10 DHCDMN CC1(C)[C@@H](C[NH2+]Cc2c([O-])cccc2Br)C1(F)F ZINC000858193384 1032798771 /nfs/dbraw/zinc/79/87/71/1032798771.db2.gz XAZPIFCPWMFOLV-LLVKDONJSA-N 0 1 320.177 3.536 20 10 DHCDMN Cc1cc(Cl)nc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000922102127 1019449316 /nfs/dbraw/zinc/44/93/16/1019449316.db2.gz CTZBMMNSTPQOSD-UHFFFAOYSA-N 0 1 302.805 3.658 20 10 DHCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1Cl ZINC000132286112 1019529457 /nfs/dbraw/zinc/52/94/57/1019529457.db2.gz WCNWCDBCIDCOGT-UHFFFAOYSA-N 0 1 312.196 3.997 20 10 DHCDMN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccns1 ZINC000858317480 1032843725 /nfs/dbraw/zinc/84/37/25/1032843725.db2.gz PTHNLHVWBIDTAK-AWEZNQCLSA-N 0 1 301.459 3.984 20 10 DHCDMN c1cc2c(c(CNCc3ccc4c(c3)CCCO4)n1)CCCC2 ZINC000922460558 1020083769 /nfs/dbraw/zinc/08/37/69/1020083769.db2.gz BGMNVDJJBNXTMO-UHFFFAOYSA-N 0 1 308.425 3.575 20 10 DHCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000733327193 1020373336 /nfs/dbraw/zinc/37/33/36/1020373336.db2.gz PDPKDWDBMFISCV-UHFFFAOYSA-N 0 1 309.768 3.526 20 10 DHCDMN Cc1cccc2c1N[C@@H](c1cc(Cl)cc(Cl)c1O)NC2=O ZINC000027577896 1020406843 /nfs/dbraw/zinc/40/68/43/1020406843.db2.gz RHTSCTLGTDTPNO-CQSZACIVSA-N 0 1 323.179 3.862 20 10 DHCDMN O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179578469 1020411385 /nfs/dbraw/zinc/41/13/85/1020411385.db2.gz OUPPCTRFQLFOTP-INIZCTEOSA-N 0 1 313.372 3.626 20 10 DHCDMN CCOc1cccc(CN[C@@H](C)c2c(F)cccc2F)c1O ZINC000378923935 1020525382 /nfs/dbraw/zinc/52/53/82/1020525382.db2.gz ZZHZDEPHYDTDSD-NSHDSACASA-N 0 1 307.340 3.920 20 10 DHCDMN CC(C)N(Cc1ccn(C(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC000735167906 1020700115 /nfs/dbraw/zinc/70/01/15/1020700115.db2.gz BIEQFJSKODRPHY-UHFFFAOYSA-N 0 1 314.477 3.941 20 10 DHCDMN CCOC(=O)CCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739916282 1020925077 /nfs/dbraw/zinc/92/50/77/1020925077.db2.gz WVFKONDFBAMEOH-UHFFFAOYSA-N 0 1 319.445 3.870 20 10 DHCDMN CCOC(=O)CCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000739916282 1020925081 /nfs/dbraw/zinc/92/50/81/1020925081.db2.gz WVFKONDFBAMEOH-UHFFFAOYSA-N 0 1 319.445 3.870 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000310817249 1021059352 /nfs/dbraw/zinc/05/93/52/1021059352.db2.gz GWBJTRDPXWJTSD-VXGBXAGGSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310817247 1021059824 /nfs/dbraw/zinc/05/98/24/1021059824.db2.gz GWBJTRDPXWJTSD-TXEJJXNPSA-N 0 1 310.235 3.777 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310817247 1021059828 /nfs/dbraw/zinc/05/98/28/1021059828.db2.gz GWBJTRDPXWJTSD-TXEJJXNPSA-N 0 1 310.235 3.777 20 10 DHCDMN Cc1cc(O)c(CNCc2cc(-c3ccccc3)on2)cc1C ZINC000742368592 1021107896 /nfs/dbraw/zinc/10/78/96/1021107896.db2.gz JRIWINARHKADII-UHFFFAOYSA-N 0 1 308.381 3.954 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c(Cl)c1 ZINC001202281896 1021200507 /nfs/dbraw/zinc/20/05/07/1021200507.db2.gz WRDZCJGMTAXWLN-MRXNPFEDSA-N 0 1 310.869 3.564 20 10 DHCDMN COc1cc(CNCc2csc(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850037437 1021401819 /nfs/dbraw/zinc/40/18/19/1021401819.db2.gz CSRDURXXBMGCAS-UHFFFAOYSA-N 0 1 320.458 3.753 20 10 DHCDMN COC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000850362914 1021487399 /nfs/dbraw/zinc/48/73/99/1021487399.db2.gz VAHCUSSAOMJNRP-INIZCTEOSA-N 0 1 321.804 3.532 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c(Cl)c1 ZINC000850374261 1021496823 /nfs/dbraw/zinc/49/68/23/1021496823.db2.gz LERFLPCYDIXDSZ-WBVHZDCISA-N 0 1 303.789 3.622 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2coc(-c3ccccc3)n2)c1 ZINC000182430648 1021644845 /nfs/dbraw/zinc/64/48/45/1021644845.db2.gz SNXOHONTAMIMKQ-CYBMUJFWSA-N 0 1 324.380 3.907 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2ccn(C3CCCC3)n2)c1 ZINC000182450906 1021658022 /nfs/dbraw/zinc/65/80/22/1021658022.db2.gz BCRSNGDEGPDAIP-CYBMUJFWSA-N 0 1 315.417 3.563 20 10 DHCDMN CC[NH+]1CCC(N(C)Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082604 1021660026 /nfs/dbraw/zinc/66/00/26/1021660026.db2.gz SSFMYWUGSCHICS-UHFFFAOYSA-N 0 1 317.260 3.615 20 10 DHCDMN COc1ccc(OCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756360597 1022073254 /nfs/dbraw/zinc/07/32/54/1022073254.db2.gz UMRRSHXSKYCEFO-LBPRGKRZSA-N 0 1 321.804 3.784 20 10 DHCDMN C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756363390 1022092965 /nfs/dbraw/zinc/09/29/65/1022092965.db2.gz OAGYBTPRNUACAS-OLZOCXBDSA-N 0 1 312.404 3.586 20 10 DHCDMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756374009 1022143182 /nfs/dbraw/zinc/14/31/82/1022143182.db2.gz WQPKPFGPWVZXJC-DYVFJYSZSA-N 0 1 318.848 3.999 20 10 DHCDMN COc1ccc(CN[C@@H](C)c2cccc(F)c2F)c(O)c1OC ZINC000893210071 1022241470 /nfs/dbraw/zinc/24/14/70/1022241470.db2.gz OITPXVQLVXDJIX-JTQLQIEISA-N 0 1 323.339 3.538 20 10 DHCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc2ccccc2[nH]c1=O ZINC000111214356 1022251187 /nfs/dbraw/zinc/25/11/87/1022251187.db2.gz IGCHSMQNBHUAIV-UHFFFAOYSA-N 0 1 322.408 3.646 20 10 DHCDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000854243489 1022438270 /nfs/dbraw/zinc/43/82/70/1022438270.db2.gz UADSZNKOAMNVRY-UHFFFAOYSA-N 0 1 318.461 3.610 20 10 DHCDMN CC1(C)CC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474805 1022479142 /nfs/dbraw/zinc/47/91/42/1022479142.db2.gz OYWFASZOPUBJKU-SNVBAGLBSA-N 0 1 302.201 3.751 20 10 DHCDMN Cc1ccc(O)c(CN(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000121357656 1022481970 /nfs/dbraw/zinc/48/19/70/1022481970.db2.gz DBIDEBDHRPKYGL-UHFFFAOYSA-N 0 1 307.397 3.518 20 10 DHCDMN C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(Cl)ccc1[O-] ZINC000756493038 1022516009 /nfs/dbraw/zinc/51/60/09/1022516009.db2.gz BSGFMIOXJYLWHT-FZMZJTMJSA-N 0 1 303.789 3.700 20 10 DHCDMN CN(Cc1cc(F)c(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000776779559 1022571350 /nfs/dbraw/zinc/57/13/50/1022571350.db2.gz NKTRLUXLEDTFJC-UHFFFAOYSA-N 0 1 321.342 3.930 20 10 DHCDMN C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130829216 1022647188 /nfs/dbraw/zinc/64/71/88/1022647188.db2.gz HSBDUXIIFFTLPI-DIFFPNOSSA-N 0 1 323.795 3.787 20 10 DHCDMN CCCCCn1cc(CNCc2ccc(OC)c(C)c2)c(C)n1 ZINC000767427233 1022715879 /nfs/dbraw/zinc/71/58/79/1022715879.db2.gz RYBXFCFTPUENED-UHFFFAOYSA-N 0 1 315.461 3.989 20 10 DHCDMN C[N@H+](Cc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000768160733 1022906400 /nfs/dbraw/zinc/90/64/00/1022906400.db2.gz NLOYGEDUMNYUNO-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN C[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1[O-] ZINC000768160733 1022906412 /nfs/dbraw/zinc/90/64/12/1022906412.db2.gz NLOYGEDUMNYUNO-UHFFFAOYSA-N 0 1 312.232 3.848 20 10 DHCDMN CN(C)c1ccc(CN2CCC[C@H]2c2cccn2C)cc1F ZINC000768199811 1022913904 /nfs/dbraw/zinc/91/39/04/1022913904.db2.gz ZCBFXOVNROBOAP-SFHVURJKSA-N 0 1 301.409 3.567 20 10 DHCDMN C[N@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1[O-] ZINC000768175740 1022914176 /nfs/dbraw/zinc/91/41/76/1022914176.db2.gz VAYZNAHOLNKJRW-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1[O-] ZINC000768175740 1022914191 /nfs/dbraw/zinc/91/41/91/1022914191.db2.gz VAYZNAHOLNKJRW-UHFFFAOYSA-N 0 1 324.193 3.926 20 10 DHCDMN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCOC1)C1CCCCC1 ZINC000768532229 1022982820 /nfs/dbraw/zinc/98/28/20/1022982820.db2.gz IHRYNDXRCKCUOI-INIZCTEOSA-N 0 1 303.446 3.954 20 10 DHCDMN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCOC1)C1CCCCC1 ZINC000768532229 1022982827 /nfs/dbraw/zinc/98/28/27/1022982827.db2.gz IHRYNDXRCKCUOI-INIZCTEOSA-N 0 1 303.446 3.954 20 10 DHCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768541530 1022985661 /nfs/dbraw/zinc/98/56/61/1022985661.db2.gz OTUSWXWWELOISF-LBPRGKRZSA-N 0 1 315.816 3.823 20 10 DHCDMN CC[C@H](C)C[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768772332 1023023910 /nfs/dbraw/zinc/02/39/10/1023023910.db2.gz ZHCDHUFNHFDCJQ-JTQLQIEISA-N 0 1 316.239 3.641 20 10 DHCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768772332 1023023923 /nfs/dbraw/zinc/02/39/23/1023023923.db2.gz ZHCDHUFNHFDCJQ-JTQLQIEISA-N 0 1 316.239 3.641 20 10 DHCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000769102994 1023090261 /nfs/dbraw/zinc/09/02/61/1023090261.db2.gz RNSFRKPJWHFSKN-JXFKEZNVSA-N 0 1 310.441 3.715 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000769246314 1023107624 /nfs/dbraw/zinc/10/76/24/1023107624.db2.gz ZMPMLEWADLMCAG-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000769246314 1023107628 /nfs/dbraw/zinc/10/76/28/1023107628.db2.gz ZMPMLEWADLMCAG-AWEZNQCLSA-N 0 1 310.235 3.919 20 10 DHCDMN CCc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000769873576 1023236399 /nfs/dbraw/zinc/23/63/99/1023236399.db2.gz JAWHTLFPWHSYAB-ZDUSSCGKSA-N 0 1 301.434 3.771 20 10 DHCDMN CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756628004 1023239542 /nfs/dbraw/zinc/23/95/42/1023239542.db2.gz UKZAMGKBPVJFFZ-VNHYZAJKSA-N 0 1 309.425 3.714 20 10 DHCDMN CCc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000769875936 1023239728 /nfs/dbraw/zinc/23/97/28/1023239728.db2.gz XZOPYOPUNDXKPE-NSHDSACASA-N 0 1 305.397 3.601 20 10 DHCDMN OC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccsc1 ZINC000769932676 1023250569 /nfs/dbraw/zinc/25/05/69/1023250569.db2.gz IAEARQUEUWVVOE-SFHVURJKSA-N 0 1 316.470 3.562 20 10 DHCDMN CCOC(CC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-])OCC ZINC000786969020 1023742751 /nfs/dbraw/zinc/74/27/51/1023742751.db2.gz BFNZIQVYYMMAHK-CQSZACIVSA-N 0 1 315.841 3.876 20 10 DHCDMN C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccc(N(C)C)cc1 ZINC000788523545 1023900345 /nfs/dbraw/zinc/90/03/45/1023900345.db2.gz PDYMKEBAWGSYIZ-CYBMUJFWSA-N 0 1 310.401 3.587 20 10 DHCDMN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000186143583 1024053886 /nfs/dbraw/zinc/05/38/86/1024053886.db2.gz UBWORYCDCYDUQF-UKRRQHHQSA-N 0 1 301.430 3.993 20 10 DHCDMN O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)ccc(O)c1O ZINC000789939702 1024191196 /nfs/dbraw/zinc/19/11/96/1024191196.db2.gz OJIASDVAIZYDNP-UHFFFAOYSA-N 0 1 315.222 3.508 20 10 DHCDMN C[C@@H](N[C@H](C)C(F)F)c1cc(Br)cc(F)c1O ZINC000883399190 1024426551 /nfs/dbraw/zinc/42/65/51/1024426551.db2.gz GOYJPUNRKMQDOC-PHDIDXHHSA-N 0 1 312.129 3.598 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCN1CCc2ccccc21 ZINC000317090051 1024462775 /nfs/dbraw/zinc/46/27/75/1024462775.db2.gz AVXJLBYDRHRNQC-UHFFFAOYSA-N 0 1 316.832 3.588 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000271255092 1024477527 /nfs/dbraw/zinc/47/75/27/1024477527.db2.gz JKYFJPBRSGPZLY-WBMJQRKESA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000271255092 1024477531 /nfs/dbraw/zinc/47/75/31/1024477531.db2.gz JKYFJPBRSGPZLY-WBMJQRKESA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000271255090 1024478477 /nfs/dbraw/zinc/47/84/77/1024478477.db2.gz JKYFJPBRSGPZLY-LRDDRELGSA-N 0 1 321.804 3.727 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000271255090 1024478482 /nfs/dbraw/zinc/47/84/82/1024478482.db2.gz JKYFJPBRSGPZLY-LRDDRELGSA-N 0 1 321.804 3.727 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC000132595959 1024489896 /nfs/dbraw/zinc/48/98/96/1024489896.db2.gz YITQYANTAATLPT-GFCCVEGCSA-N 0 1 304.217 3.700 20 10 DHCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000792173383 1024641316 /nfs/dbraw/zinc/64/13/16/1024641316.db2.gz FGDMEUBIOROKGI-ZDUSSCGKSA-N 0 1 320.795 3.644 20 10 DHCDMN CCCN(Cc1ccccc1O)[C@H](CC)C(=O)OC(C)(C)C ZINC000792233609 1024650009 /nfs/dbraw/zinc/65/00/09/1024650009.db2.gz REAPDXKDXKXEAG-OAHLLOKOSA-N 0 1 307.434 3.725 20 10 DHCDMN CCCN(Cc1cccc(Br)c1O)CC(F)F ZINC000092737510 1024942343 /nfs/dbraw/zinc/94/23/43/1024942343.db2.gz JKUWRUZXEUUVLH-UHFFFAOYSA-N 0 1 308.166 3.632 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]Cc2cnn(CC3CCC3)c2)c(Cl)c1 ZINC000897429765 1024969252 /nfs/dbraw/zinc/96/92/52/1024969252.db2.gz LEJGJAPXXZLBAZ-UHFFFAOYSA-N 0 1 319.836 3.640 20 10 DHCDMN C[C@]1(O)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000279692741 1025156808 /nfs/dbraw/zinc/15/68/08/1025156808.db2.gz QAPXGJXOBUFQPZ-FQEVSTJZSA-N 0 1 311.425 3.796 20 10 DHCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000279692741 1025156814 /nfs/dbraw/zinc/15/68/14/1025156814.db2.gz QAPXGJXOBUFQPZ-FQEVSTJZSA-N 0 1 311.425 3.796 20 10 DHCDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877341941 1033285293 /nfs/dbraw/zinc/28/52/93/1033285293.db2.gz HLWRKUSIBLDTBX-XHDPSFHLSA-N 0 1 304.340 3.649 20 10 DHCDMN CC[C@H](C)[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804984908 1025517726 /nfs/dbraw/zinc/51/77/26/1025517726.db2.gz PPPDUIHJKIKIGA-IUCAKERBSA-N 0 1 319.232 3.933 20 10 DHCDMN C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000805183098 1025549160 /nfs/dbraw/zinc/54/91/60/1025549160.db2.gz CBQVNPYQBKMDOV-QMMMGPOBSA-N 0 1 317.216 3.544 20 10 DHCDMN C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000805232611 1025553998 /nfs/dbraw/zinc/55/39/98/1025553998.db2.gz YVSFELXYFCBIEP-QMMMGPOBSA-N 0 1 317.216 3.687 20 10 DHCDMN C[C@H]1C[C@@H](NCc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684386 1025786718 /nfs/dbraw/zinc/78/67/18/1025786718.db2.gz KPBRPZHRIJDUAP-LKFCYVNXSA-N 0 1 302.349 3.735 20 10 DHCDMN C[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)c2c1c(F)ccc2O ZINC000886684389 1025787335 /nfs/dbraw/zinc/78/73/35/1025787335.db2.gz KPBRPZHRIJDUAP-YMTOWFKASA-N 0 1 302.349 3.735 20 10 DHCDMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000093644407 1026119043 /nfs/dbraw/zinc/11/90/43/1026119043.db2.gz VIZPDUHPMOWJOV-MFKMUULPSA-N 0 1 317.260 3.614 20 10 DHCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000807838847 1026124607 /nfs/dbraw/zinc/12/46/07/1026124607.db2.gz SHLJLPXKNJYMTM-PJXYFTJBSA-N 0 1 314.212 3.751 20 10 DHCDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807835290 1026128156 /nfs/dbraw/zinc/12/81/56/1026128156.db2.gz DGDSYGWVKOUBNQ-UHFFFAOYSA-N 0 1 302.201 3.751 20 10 DHCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000807837701 1026128282 /nfs/dbraw/zinc/12/82/82/1026128282.db2.gz AIQXPYYWRGWWGX-MRVPVSSYSA-N 0 1 314.168 3.712 20 10 DHCDMN C/C(=C\C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807834531 1026129387 /nfs/dbraw/zinc/12/93/87/1026129387.db2.gz MYUIRZKCTQLHOL-XBXARRHUSA-N 0 1 300.185 3.672 20 10 DHCDMN CCCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807837623 1026132078 /nfs/dbraw/zinc/13/20/78/1026132078.db2.gz YDLWPUQCMZWJND-UHFFFAOYSA-N 0 1 302.201 3.896 20 10 DHCDMN CC(C)C[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839517 1026132238 /nfs/dbraw/zinc/13/22/38/1026132238.db2.gz OGRQPUHDBLNOJP-SECBINFHSA-N 0 1 304.217 3.997 20 10 DHCDMN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccncc2)c1O ZINC000289826530 1026189619 /nfs/dbraw/zinc/18/96/19/1026189619.db2.gz OKYHZVTWUFMQBS-OAHLLOKOSA-N 0 1 318.804 3.786 20 10 DHCDMN CCc1cc(NCc2cc(Cl)cc(Cl)c2O)nc(C)n1 ZINC000808090339 1026202229 /nfs/dbraw/zinc/20/22/29/1026202229.db2.gz ZPZDDCOQGVKPHA-UHFFFAOYSA-N 0 1 312.200 3.972 20 10 DHCDMN C[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805320442 1026351639 /nfs/dbraw/zinc/35/16/39/1026351639.db2.gz IZAGPYIZTGQKNK-KWQFWETISA-N 0 1 317.216 3.687 20 10 DHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1[O-] ZINC000808702406 1026376187 /nfs/dbraw/zinc/37/61/87/1026376187.db2.gz GXSYOZCLKLYLHE-KSZJFAHPSA-N 0 1 309.837 3.962 20 10 DHCDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c([O-])cccc1Cl ZINC000809689176 1026595548 /nfs/dbraw/zinc/59/55/48/1026595548.db2.gz WLMYVJIHGPIBNM-UHFFFAOYSA-N 0 1 320.776 3.628 20 10 DHCDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c([O-])cccc1Cl ZINC000809689176 1026595556 /nfs/dbraw/zinc/59/55/56/1026595556.db2.gz WLMYVJIHGPIBNM-UHFFFAOYSA-N 0 1 320.776 3.628 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758639 1026618552 /nfs/dbraw/zinc/61/85/52/1026618552.db2.gz SBVIQPCGXQSESQ-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758639 1026618557 /nfs/dbraw/zinc/61/85/57/1026618557.db2.gz SBVIQPCGXQSESQ-KGLIPLIRSA-N 0 1 309.837 3.684 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213532 1026707014 /nfs/dbraw/zinc/70/70/14/1026707014.db2.gz USEMPLHMTOFFLS-GXTWGEPZSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215462 1026709898 /nfs/dbraw/zinc/70/98/98/1026709898.db2.gz FVFCYDKGSDJBHZ-ZWNOBZJWSA-N 0 1 305.340 3.877 20 10 DHCDMN CC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222393 1026711060 /nfs/dbraw/zinc/71/10/60/1026711060.db2.gz RZTWLXUSCSHVAM-BXUZGUMPSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221766 1026711163 /nfs/dbraw/zinc/71/11/63/1026711163.db2.gz UBDGQDPWFUBUMB-AWEZNQCLSA-N 0 1 312.335 3.990 20 10 DHCDMN CC[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221006 1026712316 /nfs/dbraw/zinc/71/23/16/1026712316.db2.gz JAOJDTCRFCHTNV-CYBMUJFWSA-N 0 1 319.367 3.860 20 10 DHCDMN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227873 1026713318 /nfs/dbraw/zinc/71/33/18/1026713318.db2.gz LXHZLKRJQZQDFU-KGLIPLIRSA-N 0 1 317.351 3.877 20 10 DHCDMN CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226384 1026713468 /nfs/dbraw/zinc/71/34/68/1026713468.db2.gz FEODHXXCYZHEIZ-JQWIXIFHSA-N 0 1 305.365 3.957 20 10 DHCDMN CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810230881 1026714742 /nfs/dbraw/zinc/71/47/42/1026714742.db2.gz NEXZCRPQXOJOIJ-BXKDBHETSA-N 0 1 305.340 3.611 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208444 1026718401 /nfs/dbraw/zinc/71/84/01/1026718401.db2.gz VHDHZGKDUFRBGR-YPMHNXCESA-N 0 1 303.324 3.631 20 10 DHCDMN CC[C@H]([NH2+]CCc1cccnc1OC)c1cc(Cl)ccc1[O-] ZINC000810259077 1026718886 /nfs/dbraw/zinc/71/88/86/1026718886.db2.gz AQJIYUAGMDVXJG-HNNXBMFYSA-N 0 1 320.820 3.733 20 10 DHCDMN CC[C@H]([NH2+]CCCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208312 1026719268 /nfs/dbraw/zinc/71/92/68/1026719268.db2.gz ATLJFFKGKDFFAG-ZDUSSCGKSA-N 0 1 305.340 3.878 20 10 DHCDMN CC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207338 1026719386 /nfs/dbraw/zinc/71/93/86/1026719386.db2.gz JSPVMAYYQMZRPA-AWEZNQCLSA-N 0 1 316.367 3.546 20 10 DHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812296346 1027246954 /nfs/dbraw/zinc/24/69/54/1027246954.db2.gz PJSBBLCHGGPBPK-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@@H]1CCOC1 ZINC000812296346 1027246971 /nfs/dbraw/zinc/24/69/71/1027246971.db2.gz PJSBBLCHGGPBPK-CYBMUJFWSA-N 0 1 315.413 3.628 20 10 DHCDMN CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H](C)OC ZINC000812302902 1027248555 /nfs/dbraw/zinc/24/85/55/1027248555.db2.gz HQLCTBBZBHGJAZ-ZDUSSCGKSA-N 0 1 317.429 3.874 20 10 DHCDMN CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C[C@H](C)OC ZINC000812302902 1027248568 /nfs/dbraw/zinc/24/85/68/1027248568.db2.gz HQLCTBBZBHGJAZ-ZDUSSCGKSA-N 0 1 317.429 3.874 20 10 DHCDMN CC[C@H]([NH2+]CC(C)(C)OC)c1cc(Br)ccc1[O-] ZINC000157991329 1027408698 /nfs/dbraw/zinc/40/86/98/1027408698.db2.gz ZYJJUHAZYWSCQM-LBPRGKRZSA-N 0 1 316.239 3.620 20 10 DHCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747831509 1027493196 /nfs/dbraw/zinc/49/31/96/1027493196.db2.gz ZVWFTXDUFZJOMX-SJORKVTESA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747831509 1027493199 /nfs/dbraw/zinc/49/31/99/1027493199.db2.gz ZVWFTXDUFZJOMX-SJORKVTESA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000747831509 1027493203 /nfs/dbraw/zinc/49/32/03/1027493203.db2.gz ZVWFTXDUFZJOMX-SJORKVTESA-N 0 1 311.425 3.794 20 10 DHCDMN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813877043 1027748055 /nfs/dbraw/zinc/74/80/55/1027748055.db2.gz JADIMFPOHLEYCW-VHSXEESVSA-N 0 1 305.249 3.547 20 10 DHCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000779009035 1027769861 /nfs/dbraw/zinc/76/98/61/1027769861.db2.gz IILSVSOGSCLVFV-HNNXBMFYSA-N 0 1 315.344 3.597 20 10 DHCDMN Cc1ccc(O)c(CNCc2nc3cc(Cl)ccc3n2C)c1 ZINC000778202378 1027840493 /nfs/dbraw/zinc/84/04/93/1027840493.db2.gz SJDPNVVFMKJCEC-UHFFFAOYSA-N 0 1 315.804 3.531 20 10 DHCDMN Cc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000527989382 1028015672 /nfs/dbraw/zinc/01/56/72/1028015672.db2.gz YVIUHUHLZYGGEX-LLVKDONJSA-N 0 1 321.218 3.709 20 10 DHCDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncccc1F ZINC000528036858 1028051063 /nfs/dbraw/zinc/05/10/63/1028051063.db2.gz ZABAFHZNRGNMDE-GBIKHYSHSA-N 0 1 304.340 3.965 20 10 DHCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000779154981 1028451752 /nfs/dbraw/zinc/45/17/52/1028451752.db2.gz XTOMSLCVOLIROJ-IINYFYTJSA-N 0 1 318.244 3.682 20 10 DHCDMN [O-]c1c(C[N@H+]2CCc3ccc(O)cc3CC2)ccc2ccccc21 ZINC000816498592 1028904992 /nfs/dbraw/zinc/90/49/92/1028904992.db2.gz BDBLENVYBVXIOV-UHFFFAOYSA-N 0 1 319.404 3.852 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc2ccccc21 ZINC000816498592 1028905011 /nfs/dbraw/zinc/90/50/11/1028905011.db2.gz BDBLENVYBVXIOV-UHFFFAOYSA-N 0 1 319.404 3.852 20 10 DHCDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N1CCCC[C@H]1C ZINC000816535329 1028921905 /nfs/dbraw/zinc/92/19/05/1028921905.db2.gz MCXXJVUQKCNKQG-CVEARBPZSA-N 0 1 312.457 3.898 20 10 DHCDMN [O-]c1c(C[NH2+]CCOc2ccc(F)cc2)ccc2ccccc21 ZINC000816532824 1028922863 /nfs/dbraw/zinc/92/28/63/1028922863.db2.gz XARMNLUFYYJDJL-UHFFFAOYSA-N 0 1 311.356 3.853 20 10 DHCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])Cc1ccccc1 ZINC000816538530 1028925776 /nfs/dbraw/zinc/92/57/76/1028925776.db2.gz UTCZYZHHPWIGDP-UHFFFAOYSA-N 0 1 320.436 3.767 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1O ZINC000816545002 1028926512 /nfs/dbraw/zinc/92/65/12/1028926512.db2.gz ZPVCHNQXDXXJLP-UHFFFAOYSA-N 0 1 309.365 3.549 20 10 DHCDMN CN(C)CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816550069 1028932724 /nfs/dbraw/zinc/93/27/24/1028932724.db2.gz HJOJVJWGKZSJAK-OAHLLOKOSA-N 0 1 316.848 3.641 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521707 1028933784 /nfs/dbraw/zinc/93/37/84/1028933784.db2.gz XBSYGDLHACIQTL-SJLPKXTDSA-N 0 1 311.425 3.794 20 10 DHCDMN [O-]c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816521707 1028933792 /nfs/dbraw/zinc/93/37/92/1028933792.db2.gz XBSYGDLHACIQTL-SJLPKXTDSA-N 0 1 311.425 3.794 20 10 DHCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1OC ZINC000816528410 1028935335 /nfs/dbraw/zinc/93/53/35/1028935335.db2.gz BJAMILMJUDHDCV-UHFFFAOYSA-N 0 1 323.392 3.852 20 10 DHCDMN CCCC(O)(CCC)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552216 1028939979 /nfs/dbraw/zinc/93/99/79/1028939979.db2.gz DUUFNHXOKUJFQH-UHFFFAOYSA-N 0 1 301.430 3.966 20 10 DHCDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCO[C@H]1C1CC1 ZINC000816570804 1028948234 /nfs/dbraw/zinc/94/82/34/1028948234.db2.gz HUOIAOLMEHJSKF-VQTJNVASSA-N 0 1 311.425 3.840 20 10 DHCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H](O)Cc1ccccc1 ZINC000816624756 1028953225 /nfs/dbraw/zinc/95/32/25/1028953225.db2.gz GVLFIFNBPXSVEN-LJQANCHMSA-N 0 1 321.420 3.581 20 10 DHCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H](O)Cc1ccccc1 ZINC000816624756 1028953238 /nfs/dbraw/zinc/95/32/38/1028953238.db2.gz GVLFIFNBPXSVEN-LJQANCHMSA-N 0 1 321.420 3.581 20 10 DHCDMN Oc1cc(F)c(Cl)cc1CN1CCC=C(Br)C1 ZINC000816599331 1028955750 /nfs/dbraw/zinc/95/57/50/1028955750.db2.gz JFUWAFGSEICJAA-UHFFFAOYSA-N 0 1 320.589 3.669 20 10 DHCDMN Cn1nccc1[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000816598670 1028957479 /nfs/dbraw/zinc/95/74/79/1028957479.db2.gz LIWAOTZINRNQFV-OAHLLOKOSA-N 0 1 323.799 3.645 20 10 DHCDMN CCOC1CC2(C1)CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816609030 1028959592 /nfs/dbraw/zinc/95/95/92/1028959592.db2.gz QAWQKTTUVLRIKP-UHFFFAOYSA-N 0 1 311.425 3.936 20 10 DHCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816609030 1028959598 /nfs/dbraw/zinc/95/95/98/1028959598.db2.gz QAWQKTTUVLRIKP-UHFFFAOYSA-N 0 1 311.425 3.936 20 10 DHCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816609283 1028960306 /nfs/dbraw/zinc/96/03/06/1028960306.db2.gz WOYHXTDNBSGJMR-YPMHNXCESA-N 0 1 315.816 3.700 20 10 DHCDMN Cn1ncc2ccc(C[NH2+]Cc3ccc4ccccc4c3[O-])cc21 ZINC000816615646 1028965907 /nfs/dbraw/zinc/96/59/07/1028965907.db2.gz BIFFXISFYBFHBM-UHFFFAOYSA-N 0 1 317.392 3.722 20 10 DHCDMN Oc1c(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc2ccccc21 ZINC000816667361 1028984373 /nfs/dbraw/zinc/98/43/73/1028984373.db2.gz LBKZRRUESVDGBA-SFHVURJKSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc2ccccc21 ZINC000816667361 1028984385 /nfs/dbraw/zinc/98/43/85/1028984385.db2.gz LBKZRRUESVDGBA-SFHVURJKSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc2ccccc21 ZINC000816667361 1028984407 /nfs/dbraw/zinc/98/44/07/1028984407.db2.gz LBKZRRUESVDGBA-SFHVURJKSA-N 0 1 311.425 3.936 20 10 DHCDMN Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630763 1028985034 /nfs/dbraw/zinc/98/50/34/1028985034.db2.gz QVRUAWZWGSLYDJ-FQEVSTJZSA-N 0 1 323.436 3.939 20 10 DHCDMN Oc1c(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc2ccccc21 ZINC000816667360 1028986021 /nfs/dbraw/zinc/98/60/21/1028986021.db2.gz LBKZRRUESVDGBA-GOSISDBHSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc2ccccc21 ZINC000816667360 1028986035 /nfs/dbraw/zinc/98/60/35/1028986035.db2.gz LBKZRRUESVDGBA-GOSISDBHSA-N 0 1 311.425 3.936 20 10 DHCDMN [O-]c1c(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc2ccccc21 ZINC000816667360 1028986042 /nfs/dbraw/zinc/98/60/42/1028986042.db2.gz LBKZRRUESVDGBA-GOSISDBHSA-N 0 1 311.425 3.936 20 10 DHCDMN C[C@@H]1CC[C@@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000190859632 1029184407 /nfs/dbraw/zinc/18/44/07/1029184407.db2.gz LURLKFMQEXLPTQ-PBHICJAKSA-N 0 1 301.386 3.555 20 10 DHCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccncc1Cl ZINC000817578796 1029206845 /nfs/dbraw/zinc/20/68/45/1029206845.db2.gz YLBHWWCJOMDXMA-ZDUSSCGKSA-N 0 1 303.837 3.960 20 10 DHCDMN CCOCc1cc(CNCc2cccc(F)c2F)ccc1OC ZINC000865676648 1029970084 /nfs/dbraw/zinc/97/00/84/1029970084.db2.gz MFCLGAKVGVRSIA-UHFFFAOYSA-N 0 1 321.367 3.800 20 10 DHCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccnn1C1CCC1 ZINC000924862927 1030212414 /nfs/dbraw/zinc/21/24/14/1030212414.db2.gz SGNIGRCUXWQLMI-CYBMUJFWSA-N 0 1 316.424 3.664 20 10 DHCDMN C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(Cl)ccc1[O-] ZINC000866478792 1030312745 /nfs/dbraw/zinc/31/27/45/1030312745.db2.gz LCKOZKMMVSEOFT-LBPRGKRZSA-N 0 1 317.816 3.969 20 10 DHCDMN C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000866528070 1030344042 /nfs/dbraw/zinc/34/40/42/1030344042.db2.gz BDBVJYRKWYVCBF-CHWSQXEVSA-N 0 1 309.837 3.903 20 10 DHCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000866540273 1030360405 /nfs/dbraw/zinc/36/04/05/1030360405.db2.gz XNOQXELEQULUQZ-RBOXIYTFSA-N 0 1 309.837 3.759 20 10 DHCDMN CC[C@H](NCc1nn(C)cc1C(F)F)c1ccc(C)cc1O ZINC000866565900 1030379745 /nfs/dbraw/zinc/37/97/45/1030379745.db2.gz UNSFMHLHTJMGOU-ZDUSSCGKSA-N 0 1 309.360 3.613 20 10 DHCDMN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824515052 1030570475 /nfs/dbraw/zinc/57/04/75/1030570475.db2.gz DDKDUALPRYUWFR-SMDDNHRTSA-N 0 1 319.367 3.860 20 10 DHCDMN O=[N+]([O-])c1cc(CN2CC[C@@H]2C2CC2)ccc1N1CCCCC1 ZINC000824651328 1030599814 /nfs/dbraw/zinc/59/98/14/1030599814.db2.gz XFZGEQHJSVMQFC-MRXNPFEDSA-N 0 1 315.417 3.569 20 10 DHCDMN COc1cccc(O)c1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045841 1030707183 /nfs/dbraw/zinc/70/71/83/1030707183.db2.gz MLYNSOMGOGCYJR-GFCCVEGCSA-N 0 1 323.314 3.595 20 10 DHCDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1Cl ZINC000825085522 1030720957 /nfs/dbraw/zinc/72/09/57/1030720957.db2.gz YKXYYJGWJMJXRT-OAHLLOKOSA-N 0 1 324.877 3.808 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](CCCO)c2ccccc2)cc1Cl ZINC000825297300 1030769122 /nfs/dbraw/zinc/76/91/22/1030769122.db2.gz AHPOEIJKVRVXDZ-QGZVFWFLSA-N 0 1 319.832 3.957 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1Cl ZINC000825327263 1030773968 /nfs/dbraw/zinc/77/39/68/1030773968.db2.gz XLDQLGOIMMUPCA-INIZCTEOSA-N 0 1 321.852 3.965 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1Cl ZINC000825394484 1030800539 /nfs/dbraw/zinc/80/05/39/1030800539.db2.gz AVACWPMLEYIVSC-ABAIWWIYSA-N 0 1 309.793 3.549 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1Cl ZINC000825412171 1030803104 /nfs/dbraw/zinc/80/31/04/1030803104.db2.gz DPVVOOYUUCOWAX-MRXNPFEDSA-N 0 1 309.837 3.745 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1Cl ZINC000825412171 1030803116 /nfs/dbraw/zinc/80/31/16/1030803116.db2.gz DPVVOOYUUCOWAX-MRXNPFEDSA-N 0 1 309.837 3.745 20 10 DHCDMN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000927072950 1031075089 /nfs/dbraw/zinc/07/50/89/1031075089.db2.gz ZTHHDCYVTBDBBS-BDJLRTHQSA-N 0 1 307.825 3.827 20 10 DHCDMN CCN(Cc1ccccc1O)Cc1ccc(OC)c(F)c1F ZINC001143916089 1031081217 /nfs/dbraw/zinc/08/12/17/1031081217.db2.gz PLRPCEOWEIMFEG-UHFFFAOYSA-N 0 1 307.340 3.701 20 10 DHCDMN CCOc1cccc(CN2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000292864062 1031221926 /nfs/dbraw/zinc/22/19/26/1031221926.db2.gz VQVAPLNIUQYUML-GOSISDBHSA-N 0 1 312.413 3.769 20 10 DHCDMN Oc1cc(F)c(Br)cc1CN1CCCC[C@@H](F)C1 ZINC001144298434 1031436865 /nfs/dbraw/zinc/43/68/65/1031436865.db2.gz DJYZBRXNDSIKDE-SNVBAGLBSA-N 0 1 320.177 3.618 20 10 DHCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H]1C ZINC001144299932 1031440057 /nfs/dbraw/zinc/44/00/57/1031440057.db2.gz MSAOKQJMXDQYFT-ZJUUUORDSA-N 0 1 316.214 3.914 20 10 DHCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CCCC1 ZINC001144306959 1031455694 /nfs/dbraw/zinc/45/56/94/1031455694.db2.gz XYKKQJRJEGIZNC-UHFFFAOYSA-N 0 1 316.214 3.916 20 10 DHCDMN FC(F)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000872254909 1031562519 /nfs/dbraw/zinc/56/25/19/1031562519.db2.gz MXYABISDLZHCKE-KRWDZBQOSA-N 0 1 324.415 3.533 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261441 1031563905 /nfs/dbraw/zinc/56/39/05/1031563905.db2.gz FFNHYLFDOXCWOK-CQSZACIVSA-N 0 1 309.837 3.969 20 10 DHCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261441 1031563910 /nfs/dbraw/zinc/56/39/10/1031563910.db2.gz FFNHYLFDOXCWOK-CQSZACIVSA-N 0 1 309.837 3.969 20 10 DHCDMN Cc1cccc(CN[C@H](Cc2ccccc2)c2nccn2C)c1O ZINC000846058534 1031815850 /nfs/dbraw/zinc/81/58/50/1031815850.db2.gz QDRDEUZTINRNFT-GOSISDBHSA-N 0 1 321.424 3.508 20 10 DHCDMN COc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1OC ZINC000846058995 1031817614 /nfs/dbraw/zinc/81/76/14/1031817614.db2.gz WNJVRFUASBAMAM-UHFFFAOYSA-N 0 1 321.804 3.661 20 10 DHCDMN CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000846055005 1031843512 /nfs/dbraw/zinc/84/35/12/1031843512.db2.gz IKRXGLQIKYSELN-GFCCVEGCSA-N 0 1 307.825 3.544 20 10 DHCDMN C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000846185541 1031918341 /nfs/dbraw/zinc/91/83/41/1031918341.db2.gz APTYROHJTRQKER-ZJNRKIDTSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@](C)(O)c1ccccc1 ZINC000846185286 1031919136 /nfs/dbraw/zinc/91/91/36/1031919136.db2.gz AZVOPRJROIOGLH-JCGVRSQUSA-N 0 1 319.832 3.992 20 10 DHCDMN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189337 1031925177 /nfs/dbraw/zinc/92/51/77/1031925177.db2.gz SXLRXVSOJLRONA-PIGZYNQJSA-N 0 1 309.837 3.901 20 10 DHCDMN Cc1cc(C[N@H+](CCC(=O)[O-])C(C)C)ccc1N1CCCCC1 ZINC000846270415 1031951526 /nfs/dbraw/zinc/95/15/26/1031951526.db2.gz WPSDIVCRSFGDAX-UHFFFAOYSA-N 0 1 318.461 3.670 20 10 DHCDMN C[C@@]12CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]1C2(Cl)Cl ZINC000877506726 1033327680 /nfs/dbraw/zinc/32/76/80/1033327680.db2.gz CPIKXRBBLBKJLR-GXFFZTMASA-N 0 1 322.182 3.686 20 10 DHCDMN CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172762379 1033355809 /nfs/dbraw/zinc/35/58/09/1033355809.db2.gz WWPVXELOWBIZOK-CQSZACIVSA-N 0 1 315.413 3.755 20 10 DHCDMN Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000877812517 1033462408 /nfs/dbraw/zinc/46/24/08/1033462408.db2.gz BYXYNBIULURRKI-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000877812517 1033462415 /nfs/dbraw/zinc/46/24/15/1033462415.db2.gz BYXYNBIULURRKI-LLVKDONJSA-N 0 1 308.834 3.800 20 10 DHCDMN CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(F)c(F)c1O ZINC000877847673 1033484464 /nfs/dbraw/zinc/48/44/64/1033484464.db2.gz CCJPSWCNIJBFGM-CQSZACIVSA-N 0 1 324.714 3.520 20 10 DHCDMN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000927066341 1033486938 /nfs/dbraw/zinc/48/69/38/1033486938.db2.gz BHYWFDYVVHFSJJ-MEDUHNTESA-N 0 1 307.825 3.827 20 10 DHCDMN CCOc1cccc(CN[C@@](C)(CC)c2nccs2)c1O ZINC000152654630 1033535369 /nfs/dbraw/zinc/53/53/69/1033535369.db2.gz OJRQFPQATLITJT-INIZCTEOSA-N 0 1 306.431 3.662 20 10 DHCDMN CC[N@@H+](Cc1ccccc1O)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234021 1033609134 /nfs/dbraw/zinc/60/91/34/1033609134.db2.gz OCLRTZQFWAQTSA-AWEZNQCLSA-N 0 1 314.385 3.754 20 10 DHCDMN Oc1ccc(F)cc1CNC1(c2c(F)cccc2F)CCC1 ZINC000862551627 1033886236 /nfs/dbraw/zinc/88/62/36/1033886236.db2.gz TWZRQQXOSUWGOV-UHFFFAOYSA-N 0 1 307.315 3.979 20 10 DHCDMN C[C@H](NCc1ccn(CCc2ccccc2)n1)c1ccccc1O ZINC000879650390 1034074208 /nfs/dbraw/zinc/07/42/08/1034074208.db2.gz ZCESBQYXPOMWPM-INIZCTEOSA-N 0 1 321.424 3.682 20 10 DHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000826120268 1034118977 /nfs/dbraw/zinc/11/89/77/1034118977.db2.gz APZRYVMTCGLWBJ-VXGBXAGGSA-N 0 1 302.187 3.525 20 10 DHCDMN Cc1cc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1Cl ZINC000826122055 1034119797 /nfs/dbraw/zinc/11/97/97/1034119797.db2.gz XJHPNZFQCOMCOT-KRWDZBQOSA-N 0 1 323.864 3.991 20 10 DHCDMN Cc1cc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1Cl ZINC000826122055 1034119807 /nfs/dbraw/zinc/11/98/07/1034119807.db2.gz XJHPNZFQCOMCOT-KRWDZBQOSA-N 0 1 323.864 3.991 20 10 DHCDMN Oc1c(CNc2cc3c(cc2Cl)OCO3)ccc(F)c1F ZINC000864030584 1034265950 /nfs/dbraw/zinc/26/59/50/1034265950.db2.gz NAVKYPYIINLLPJ-UHFFFAOYSA-N 0 1 313.687 3.665 20 10 DHCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])c1cccnc1 ZINC000184883222 1034507255 /nfs/dbraw/zinc/50/72/55/1034507255.db2.gz VNNVIFCCXCKJTN-MNOVXSKESA-N 0 1 321.218 3.962 20 10 DHCDMN CC(C)OCCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000184863591 1034507564 /nfs/dbraw/zinc/50/75/64/1034507564.db2.gz BSKZPSSTSOUYDC-LLVKDONJSA-N 0 1 316.239 3.620 20 10 DHCDMN C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000185518489 1034555256 /nfs/dbraw/zinc/55/52/56/1034555256.db2.gz QBZFJUDQPLFONY-BONVTDFDSA-N 0 1 311.834 3.665 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(C)cc2O)o1 ZINC000185548503 1034557353 /nfs/dbraw/zinc/55/73/53/1034557353.db2.gz WAFKCFGQRQOVIN-CZUORRHYSA-N 0 1 303.402 3.894 20 10 DHCDMN C[C@@H]([NH2+]C1CCSCC1)c1cc(Br)ccc1[O-] ZINC000185978443 1034590862 /nfs/dbraw/zinc/59/08/62/1034590862.db2.gz SZVAZYOAOXRXIE-SECBINFHSA-N 0 1 316.264 3.701 20 10 DHCDMN COc1ccsc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000186137644 1034602521 /nfs/dbraw/zinc/60/25/21/1034602521.db2.gz IKFDPQRFGYUQEW-LLVKDONJSA-N 0 1 308.422 3.813 20 10 DHCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CCO)c2ccco2)cc1 ZINC000186542920 1034641904 /nfs/dbraw/zinc/64/19/04/1034641904.db2.gz PMGPVCAYKAZQIH-PBHICJAKSA-N 0 1 302.418 3.510 20 10 DHCDMN Cc1c2ccccc2n(C)c1CNCc1nn(C)c2ccccc12 ZINC001178454342 1035429557 /nfs/dbraw/zinc/42/95/57/1035429557.db2.gz MAKKEQIXGLEXOE-UHFFFAOYSA-N 0 1 318.424 3.663 20 10 DHCDMN CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000773756939 1035439609 /nfs/dbraw/zinc/43/96/09/1035439609.db2.gz XRFCIXKEEYHBJN-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN CCN(C)c1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000773756939 1035439611 /nfs/dbraw/zinc/43/96/11/1035439611.db2.gz XRFCIXKEEYHBJN-UHFFFAOYSA-N 0 1 303.837 3.823 20 10 DHCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCC(C)CC2)c(Cl)c1 ZINC001179148809 1035467390 /nfs/dbraw/zinc/46/73/90/1035467390.db2.gz WDIUPFMXJVJGDB-AWEZNQCLSA-N 0 1 310.869 3.564 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc(C2CCC2)o1 ZINC000905426513 1035527533 /nfs/dbraw/zinc/52/75/33/1035527533.db2.gz OTWGXJMRFBVDIG-UHFFFAOYSA-N 0 1 314.172 3.962 20 10 DHCDMN O=C(Nc1ccc2c(c1)N=NC2)c1cc(O)c(O)c(Cl)c1 ZINC001193624448 1035677231 /nfs/dbraw/zinc/67/72/31/1035677231.db2.gz FMKCDORDXZFKAJ-UHFFFAOYSA-N 0 1 303.705 3.601 20 10 DHCDMN CN(Cc1cccs1)c1ccc(CN2CC[C@H](F)C2)cc1 ZINC001181894238 1036037870 /nfs/dbraw/zinc/03/78/70/1036037870.db2.gz WQNMGLHNKUEEDB-HNNXBMFYSA-N 0 1 304.434 3.928 20 10 DHCDMN C[N@@H+](CCOc1ccccc1F)Cc1cccc(Cl)c1[O-] ZINC000775646929 1036192311 /nfs/dbraw/zinc/19/23/11/1036192311.db2.gz MLETYJOYGUOYBK-UHFFFAOYSA-N 0 1 309.768 3.696 20 10 DHCDMN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(Cl)ccc1[O-] ZINC000774381552 1036306532 /nfs/dbraw/zinc/30/65/32/1036306532.db2.gz YSWHKFMQDZCFEE-SWLSCSKDSA-N 0 1 308.853 3.713 20 10 DHCDMN COc1cc(CN(C)[C@H](C)c2ccc(Cl)cc2)cc(O)c1O ZINC001204346725 1036387344 /nfs/dbraw/zinc/38/73/44/1036387344.db2.gz XDVLVXWIIKZPFL-LLVKDONJSA-N 0 1 321.804 3.953 20 10 DHCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H]1CC1(C)C ZINC001235068542 1036749204 /nfs/dbraw/zinc/74/92/04/1036749204.db2.gz KKMNQDSZJKHBJT-SNVBAGLBSA-N 0 1 316.214 3.772 20 10 DHCDMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833823 1036988855 /nfs/dbraw/zinc/98/88/55/1036988855.db2.gz MVYGMWVDJUXYTH-QWHCGFSZSA-N 0 1 316.401 3.544 20 10 DHCDMN CCC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774836231 1037049447 /nfs/dbraw/zinc/04/94/47/1037049447.db2.gz QTGAOMPGQPTSLL-UHFFFAOYSA-N 0 1 322.405 3.710 20 10 DHCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775176239 1037919406 /nfs/dbraw/zinc/91/94/06/1037919406.db2.gz MNOBWRWEFUGHLF-OAHLLOKOSA-N 0 1 318.244 3.826 20 10 DHCDMN COc1ccc(O)c([C@@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000775368642 1038277665 /nfs/dbraw/zinc/27/76/65/1038277665.db2.gz CGZUHYPWWIQYCY-CYBMUJFWSA-N 0 1 324.380 3.907 20 10 DHCDMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775408422 1038380213 /nfs/dbraw/zinc/38/02/13/1038380213.db2.gz YUGMOZNAOPJAIK-LLVKDONJSA-N 0 1 318.804 3.603 20 10 DHCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000775492219 1038565202 /nfs/dbraw/zinc/56/52/02/1038565202.db2.gz NPBKGVQORCLVPD-NVXWUHKLSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775510835 1038601422 /nfs/dbraw/zinc/60/14/22/1038601422.db2.gz AANWMNLARPPXCU-PBHICJAKSA-N 0 1 319.832 3.862 20 10 DHCDMN CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000775523734 1038635651 /nfs/dbraw/zinc/63/56/51/1038635651.db2.gz NACRORANAZKITM-HNNXBMFYSA-N 0 1 319.836 3.748 20 10 DHCDMN CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000775524383 1038642414 /nfs/dbraw/zinc/64/24/14/1038642414.db2.gz OPXLMTOGXPHARU-JKSUJKDBSA-N 0 1 323.795 3.959 20 10 DHCDMN CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775531703 1038668220 /nfs/dbraw/zinc/66/82/20/1038668220.db2.gz MPNBXFKNBFSQBX-GOEBONIOSA-N 0 1 311.853 3.883 20 10 DHCDMN CCCN(Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000170779311 1038959389 /nfs/dbraw/zinc/95/93/89/1038959389.db2.gz JGKIUDRFEVZLRE-UHFFFAOYSA-N 0 1 323.396 3.854 20 10 DHCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000230148085 1039722812 /nfs/dbraw/zinc/72/28/12/1039722812.db2.gz HOJDMIQWOJXCDK-LBPRGKRZSA-N 0 1 316.264 3.530 20 10 DHCDMN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(Cl)c1O ZINC000172858530 1040072979 /nfs/dbraw/zinc/07/29/79/1040072979.db2.gz DCURMIGTMRWLHE-HNNXBMFYSA-N 0 1 322.836 3.589 20 10 DHCDMN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(Cl)c1O ZINC000172858523 1040073167 /nfs/dbraw/zinc/07/31/67/1040073167.db2.gz DCURMIGTMRWLHE-OAHLLOKOSA-N 0 1 322.836 3.589 20 10 DHCDMN C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(Br)ccc1[O-] ZINC000273621534 130145323 /nfs/dbraw/zinc/14/53/23/130145323.db2.gz ZFAIVLGIQRLRRH-GXSJLCMTSA-N 0 1 316.264 3.701 20 10 DHCDMN Cc1nnc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000274287693 130223145 /nfs/dbraw/zinc/22/31/45/130223145.db2.gz ZSUKYJNJRFNVGD-QWRGUYRKSA-N 0 1 317.458 3.843 20 10 DHCDMN Oc1c(Cl)cc(Cl)cc1CNc1cc2n(n1)CCCC2 ZINC000285435946 131168446 /nfs/dbraw/zinc/16/84/46/131168446.db2.gz HUOXSXXLVCRFNZ-UHFFFAOYSA-N 0 1 312.200 3.844 20 10 DHCDMN Cc1csc(C2(NCc3ccc(N(C)C)cc3)CCC2)n1 ZINC000299588245 132112459 /nfs/dbraw/zinc/11/24/59/132112459.db2.gz JMGYOFUBQCJHNI-UHFFFAOYSA-N 0 1 301.459 3.687 20 10 DHCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294652430 334211724 /nfs/dbraw/zinc/21/17/24/334211724.db2.gz KWFBYJXYQWZQRT-OAHLLOKOSA-N 0 1 301.789 3.576 20 10 DHCDMN Cc1ccc([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212361 336840301 /nfs/dbraw/zinc/84/03/01/336840301.db2.gz NAIQTOMNGVFCIQ-HZMBPMFUSA-N 0 1 305.324 3.763 20 10 DHCDMN Cc1ccc([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000368212362 336840305 /nfs/dbraw/zinc/84/03/05/336840305.db2.gz NAIQTOMNGVFCIQ-IINYFYTJSA-N 0 1 305.324 3.763 20 10 DHCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000377198156 337048561 /nfs/dbraw/zinc/04/85/61/337048561.db2.gz OASCANNFKIORAR-AWEZNQCLSA-N 0 1 323.799 3.564 20 10 DHCDMN Cc1cccc(CN[C@@H](C)c2nccn2-c2ccccc2)c1O ZINC000377870254 337063070 /nfs/dbraw/zinc/06/30/70/337063070.db2.gz TXWFEZKIEAHLIT-HNNXBMFYSA-N 0 1 307.397 3.737 20 10 DHCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000378032236 337065386 /nfs/dbraw/zinc/06/53/86/337065386.db2.gz AYIATBPECPUMMO-UHFFFAOYSA-N 0 1 309.837 3.875 20 10 DHCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000378129950 337066915 /nfs/dbraw/zinc/06/69/15/337066915.db2.gz MTNONHWAVDTNCB-OAHLLOKOSA-N 0 1 318.244 3.539 20 10 DHCDMN CC[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000183339148 337191414 /nfs/dbraw/zinc/19/14/14/337191414.db2.gz DLODATFYCJUOHX-WMLDXEAASA-N 0 1 322.412 3.775 20 10 DHCDMN Cc1nc([C@@H](N[C@H](C)c2cc(C)ccc2O)c2ccccc2)n[nH]1 ZINC000185324279 337205137 /nfs/dbraw/zinc/20/51/37/337205137.db2.gz PHTWMGYRCBXIHW-ACJLOTCBSA-N 0 1 322.412 3.567 20 10 DHCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156389153 523155951 /nfs/dbraw/zinc/15/59/51/523155951.db2.gz QJKRWEJDFVNQER-LZQZEXGQSA-N 0 1 311.425 3.791 20 10 DHCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156389153 523155964 /nfs/dbraw/zinc/15/59/64/523155964.db2.gz QJKRWEJDFVNQER-LZQZEXGQSA-N 0 1 311.425 3.791 20 10 DHCDMN CCc1ccc([C@@H](COC)N[C@H](CC)c2ccccc2O)o1 ZINC000156014317 524032072 /nfs/dbraw/zinc/03/20/72/524032072.db2.gz ABXHBMIVYCPLFL-HZPDHXFCSA-N 0 1 303.402 3.976 20 10 DHCDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(N)cc2)c1 ZINC000364886442 524388464 /nfs/dbraw/zinc/38/84/64/524388464.db2.gz SENNNQSPRWJZPD-LJQANCHMSA-N 0 1 323.440 3.570 20 10 DHCDMN C[C@H]1[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCC12CCOCC2 ZINC000364780831 525004201 /nfs/dbraw/zinc/00/42/01/525004201.db2.gz XFXBLFRYSAXMMC-LLVKDONJSA-N 0 1 313.800 3.576 20 10 DHCDMN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185453913 525488848 /nfs/dbraw/zinc/48/88/48/525488848.db2.gz CAJHFNCYZBIDKX-SJKOYZFVSA-N 0 1 305.805 3.604 20 10 DHCDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)ccc1[O-] ZINC000186355254 525639719 /nfs/dbraw/zinc/63/97/19/525639719.db2.gz PLYMYSPTHOBIDY-SCTFDZSOSA-N 0 1 305.393 3.530 20 10 DHCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000264987438 526365093 /nfs/dbraw/zinc/36/50/93/526365093.db2.gz WGDDETWOYRQMRJ-CQSZACIVSA-N 0 1 307.752 3.798 20 10 DHCDMN Oc1cccc(Cl)c1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000264987438 526365098 /nfs/dbraw/zinc/36/50/98/526365098.db2.gz WGDDETWOYRQMRJ-CQSZACIVSA-N 0 1 307.752 3.798 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1[O-] ZINC000127458919 527333278 /nfs/dbraw/zinc/33/32/78/527333278.db2.gz IYTVWUDXQUULCX-CYBMUJFWSA-N 0 1 321.764 3.619 20 10 DHCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1[O-] ZINC000127458919 527333283 /nfs/dbraw/zinc/33/32/83/527333283.db2.gz IYTVWUDXQUULCX-CYBMUJFWSA-N 0 1 321.764 3.619 20 10 DHCDMN CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287319334 535912504 /nfs/dbraw/zinc/91/25/04/535912504.db2.gz DIEPMFUUKGWGBT-WBMJQRKESA-N 0 1 308.853 3.571 20 10 DHCDMN CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(Cl)c1[O-] ZINC000287308102 535936347 /nfs/dbraw/zinc/93/63/47/535936347.db2.gz CUQDWZDCDKHYJV-UONOGXRCSA-N 0 1 305.809 3.887 20 10 DHCDMN CC[C@H](N[C@H](C)c1ccccc1O)c1nnc2n1CCCCC2 ZINC000272864198 535943270 /nfs/dbraw/zinc/94/32/70/535943270.db2.gz NKPJJLPQIUBTFD-HIFRSBDPSA-N 0 1 314.433 3.512 20 10 DHCDMN