smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Sc3ccccc3)cc1)CCC2 ZINC000548922587 567929894 /nfs/dbraw/zinc/92/98/94/567929894.db2.gz OVGLXYCRRXDWLP-IBGZPJMESA-N 2 2 363.530 5.010 20 0 FKADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Sc3ccccc3)cc1)CCC2 ZINC000548922588 567929872 /nfs/dbraw/zinc/92/98/72/567929872.db2.gz OVGLXYCRRXDWLP-LJQANCHMSA-N 2 2 363.530 5.010 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)c3ccc(F)cc3)ccc2n1C1CC1 ZINC000549226278 567995338 /nfs/dbraw/zinc/99/53/38/567995338.db2.gz WIMPRPTTWMRZBS-IBGZPJMESA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H](CC)c3ccc(F)cc3)ccc2n1C1CC1 ZINC000549226279 567995365 /nfs/dbraw/zinc/99/53/65/567995365.db2.gz WIMPRPTTWMRZBS-LJQANCHMSA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCSc4ccccc43)ccc2n1C1CC1 ZINC000549226423 567995382 /nfs/dbraw/zinc/99/53/82/567995382.db2.gz XQHRAZVSIUTXSR-GOSISDBHSA-N 2 2 363.530 5.260 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCSc4ccccc43)ccc2n1C1CC1 ZINC000549226424 567995349 /nfs/dbraw/zinc/99/53/49/567995349.db2.gz XQHRAZVSIUTXSR-SFHVURJKSA-N 2 2 363.530 5.260 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)c3cccc(OC)c3)ccc2n1C1CC1 ZINC000549235645 567998956 /nfs/dbraw/zinc/99/89/56/567998956.db2.gz LCWFNDRXHASKMH-FQEVSTJZSA-N 2 2 363.505 5.183 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H](CC)c3cccc(OC)c3)ccc2n1C1CC1 ZINC000549235646 567998971 /nfs/dbraw/zinc/99/89/71/567998971.db2.gz LCWFNDRXHASKMH-HXUWFJFHSA-N 2 2 363.505 5.183 20 0 FKADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000549710793 568030204 /nfs/dbraw/zinc/03/02/04/568030204.db2.gz FMQFBKQPRSROBR-UHFFFAOYSA-N 2 2 371.937 5.017 20 0 FKADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)n1-c1ccccc1 ZINC000549830548 568032442 /nfs/dbraw/zinc/03/24/42/568032442.db2.gz JUFKAPWVCWXMMZ-FQEVSTJZSA-N 2 2 373.422 5.007 20 0 FKADLP Cc1[nH+]cc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)n1-c1ccccc1 ZINC000549830550 568032456 /nfs/dbraw/zinc/03/24/56/568032456.db2.gz JUFKAPWVCWXMMZ-HXUWFJFHSA-N 2 2 373.422 5.007 20 0 FKADLP Cc1sccc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000550123480 568040448 /nfs/dbraw/zinc/04/04/48/568040448.db2.gz VTEHIBLFTPPZCR-UHFFFAOYSA-N 2 2 373.525 5.258 20 0 FKADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c2ccccc21 ZINC000550604982 568080623 /nfs/dbraw/zinc/08/06/23/568080623.db2.gz ITHIOCKSGIIXCB-GOSISDBHSA-N 2 2 373.475 5.117 20 0 FKADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)c2ccccc21 ZINC000550604983 568080786 /nfs/dbraw/zinc/08/07/86/568080786.db2.gz ITHIOCKSGIIXCB-SFHVURJKSA-N 2 2 373.475 5.117 20 0 FKADLP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000550857244 568109606 /nfs/dbraw/zinc/10/96/06/568109606.db2.gz PPZNDGCGSPOVFZ-JXFKEZNVSA-N 2 2 373.422 5.259 20 0 FKADLP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000550857245 568109614 /nfs/dbraw/zinc/10/96/14/568109614.db2.gz PPZNDGCGSPOVFZ-OXJNMPFZSA-N 2 2 373.422 5.259 20 0 FKADLP C[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000550857246 568109622 /nfs/dbraw/zinc/10/96/22/568109622.db2.gz PPZNDGCGSPOVFZ-OXQOHEQNSA-N 2 2 373.422 5.259 20 0 FKADLP C[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000550857247 568109588 /nfs/dbraw/zinc/10/95/88/568109588.db2.gz PPZNDGCGSPOVFZ-UZLBHIALSA-N 2 2 373.422 5.259 20 0 FKADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000550970573 568122764 /nfs/dbraw/zinc/12/27/64/568122764.db2.gz PNHCMEPWCVUZHY-FQEVSTJZSA-N 2 2 372.299 5.015 20 0 FKADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000550970577 568122805 /nfs/dbraw/zinc/12/28/05/568122805.db2.gz PNHCMEPWCVUZHY-HXUWFJFHSA-N 2 2 372.299 5.015 20 0 FKADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000550996499 568127032 /nfs/dbraw/zinc/12/70/32/568127032.db2.gz PUKQJSHWSXMFOR-KRWDZBQOSA-N 2 2 359.448 5.075 20 0 FKADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000550996500 568127029 /nfs/dbraw/zinc/12/70/29/568127029.db2.gz PUKQJSHWSXMFOR-QGZVFWFLSA-N 2 2 359.448 5.075 20 0 FKADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c2ccccc21 ZINC000551006986 568127271 /nfs/dbraw/zinc/12/72/71/568127271.db2.gz BEBVQEJHWYRIEQ-HNNXBMFYSA-N 2 2 363.411 5.155 20 0 FKADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c2ccccc21 ZINC000551006987 568127260 /nfs/dbraw/zinc/12/72/60/568127260.db2.gz BEBVQEJHWYRIEQ-OAHLLOKOSA-N 2 2 363.411 5.155 20 0 FKADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C2CC2)c1 ZINC000551177099 568160187 /nfs/dbraw/zinc/16/01/87/568160187.db2.gz RBDSIDDMOFKQOO-JAGHRAMZSA-N 2 2 366.471 5.020 20 0 FKADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C2CC2)c1 ZINC000551177106 568160159 /nfs/dbraw/zinc/16/01/59/568160159.db2.gz RBDSIDDMOFKQOO-WPUWVODUSA-N 2 2 366.471 5.020 20 0 FKADLP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000551530230 568231321 /nfs/dbraw/zinc/23/13/21/568231321.db2.gz PIXZAWVMKCPGME-INIZCTEOSA-N 2 2 369.896 5.164 20 0 FKADLP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000551530231 568231325 /nfs/dbraw/zinc/23/13/25/568231325.db2.gz PIXZAWVMKCPGME-MRXNPFEDSA-N 2 2 369.896 5.164 20 0 FKADLP CCCCCOc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000551563564 568232510 /nfs/dbraw/zinc/23/25/10/568232510.db2.gz IDTBSGCYUIOMBH-HSZRJFAPSA-N 2 2 367.537 5.029 20 0 FKADLP CCCCCOc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000551563573 568232546 /nfs/dbraw/zinc/23/25/46/568232546.db2.gz IDTBSGCYUIOMBH-QHCPKHFHSA-N 2 2 367.537 5.029 20 0 FKADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000551812829 568251054 /nfs/dbraw/zinc/25/10/54/568251054.db2.gz GKJKGUROIGPKJY-AWEZNQCLSA-N 2 2 371.937 5.452 20 0 FKADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000551812838 568251030 /nfs/dbraw/zinc/25/10/30/568251030.db2.gz GKJKGUROIGPKJY-CQSZACIVSA-N 2 2 371.937 5.452 20 0 FKADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(Cl)c1Cl ZINC000551813174 568251048 /nfs/dbraw/zinc/25/10/48/568251048.db2.gz IYKYLORWVHJYDJ-JTQLQIEISA-N 2 2 358.700 5.030 20 0 FKADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(Cl)c1Cl ZINC000551813175 568251097 /nfs/dbraw/zinc/25/10/97/568251097.db2.gz IYKYLORWVHJYDJ-SNVBAGLBSA-N 2 2 358.700 5.030 20 0 FKADLP CC(C)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000551818526 568251458 /nfs/dbraw/zinc/25/14/58/568251458.db2.gz VNDUDXPKAOARIA-GOSISDBHSA-N 2 2 365.443 5.115 20 0 FKADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000551818527 568251506 /nfs/dbraw/zinc/25/15/06/568251506.db2.gz VNDUDXPKAOARIA-SFHVURJKSA-N 2 2 365.443 5.115 20 0 FKADLP c1csc([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CCCC2)c1 ZINC000552522392 568291290 /nfs/dbraw/zinc/29/12/90/568291290.db2.gz QSYIGAJEMWRIAG-NRFANRHFSA-N 2 2 351.519 5.014 20 0 FKADLP c1csc([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C2CCCC2)c1 ZINC000552522393 568291265 /nfs/dbraw/zinc/29/12/65/568291265.db2.gz QSYIGAJEMWRIAG-OAQYLSRUSA-N 2 2 351.519 5.014 20 0 FKADLP Fc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000552761079 568283005 /nfs/dbraw/zinc/28/30/05/568283005.db2.gz GNQOEPAXMHJFKN-NRFANRHFSA-N 2 2 369.871 5.296 20 0 FKADLP Fc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000552761080 568283148 /nfs/dbraw/zinc/28/31/48/568283148.db2.gz GNQOEPAXMHJFKN-OAQYLSRUSA-N 2 2 369.871 5.296 20 0 FKADLP c1cn(Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CCCCC2)c[nH+]1 ZINC000553095125 568312267 /nfs/dbraw/zinc/31/22/67/568312267.db2.gz HFSQBIMTRRWAAU-XMMPIXPASA-N 2 2 359.517 5.343 20 0 FKADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C)CCC2 ZINC000553098308 568313118 /nfs/dbraw/zinc/31/31/18/568313118.db2.gz QVDJLLJEZJOVOV-AEFFLSMTSA-N 2 2 365.443 5.075 20 0 FKADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C)CCC2 ZINC000553098312 568313139 /nfs/dbraw/zinc/31/31/39/568313139.db2.gz QVDJLLJEZJOVOV-FUHWJXTLSA-N 2 2 365.443 5.075 20 0 FKADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C)CCC2 ZINC000553098313 568313174 /nfs/dbraw/zinc/31/31/74/568313174.db2.gz QVDJLLJEZJOVOV-SJLPKXTDSA-N 2 2 365.443 5.075 20 0 FKADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C)CCC2 ZINC000553098315 568313209 /nfs/dbraw/zinc/31/32/09/568313209.db2.gz QVDJLLJEZJOVOV-WMZOPIPTSA-N 2 2 365.443 5.075 20 0 FKADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(SCc4ccccc4)c3)CC2)[nH]1 ZINC000553887185 568401431 /nfs/dbraw/zinc/40/14/31/568401431.db2.gz SWDMZUXWEWOOTH-UHFFFAOYSA-N 2 2 363.530 5.082 20 0 FKADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(SCc4ccccc4)c3)C2)[nH]1 ZINC000554247298 568403896 /nfs/dbraw/zinc/40/38/96/568403896.db2.gz RDUPINQVIHKVOY-FQEVSTJZSA-N 2 2 363.530 5.082 20 0 FKADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(SCc4ccccc4)c3)C2)[nH]1 ZINC000554247298 568403895 /nfs/dbraw/zinc/40/38/95/568403895.db2.gz RDUPINQVIHKVOY-FQEVSTJZSA-N 2 2 363.530 5.082 20 0 FKADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(SCc4ccccc4)c3)C2)[nH]1 ZINC000554247299 568403949 /nfs/dbraw/zinc/40/39/49/568403949.db2.gz RDUPINQVIHKVOY-HXUWFJFHSA-N 2 2 363.530 5.082 20 0 FKADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(SCc4ccccc4)c3)C2)[nH]1 ZINC000554247299 568403948 /nfs/dbraw/zinc/40/39/48/568403948.db2.gz RDUPINQVIHKVOY-HXUWFJFHSA-N 2 2 363.530 5.082 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)ccc2n1C1CC1 ZINC000554917656 568411374 /nfs/dbraw/zinc/41/13/74/568411374.db2.gz GTKMZWHHSCZACG-CABCVRRESA-N 2 2 365.443 5.144 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)ccc2n1C1CC1 ZINC000554917657 568411416 /nfs/dbraw/zinc/41/14/16/568411416.db2.gz GTKMZWHHSCZACG-GJZGRUSLSA-N 2 2 365.443 5.144 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc2n1C1CC1 ZINC000554917658 568411400 /nfs/dbraw/zinc/41/14/00/568411400.db2.gz GTKMZWHHSCZACG-HUUCEWRRSA-N 2 2 365.443 5.144 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)ccc2n1C1CC1 ZINC000554917659 568411426 /nfs/dbraw/zinc/41/14/26/568411426.db2.gz GTKMZWHHSCZACG-LSDHHAIUSA-N 2 2 365.443 5.144 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCCc4sccc43)ccc2n1C1CC1 ZINC000555232275 568412143 /nfs/dbraw/zinc/41/21/43/568412143.db2.gz AARSIEDQTLMNJQ-KRWDZBQOSA-N 2 2 351.519 5.162 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCCc4sccc43)ccc2n1C1CC1 ZINC000555232276 568412112 /nfs/dbraw/zinc/41/21/12/568412112.db2.gz AARSIEDQTLMNJQ-QGZVFWFLSA-N 2 2 351.519 5.162 20 0 FKADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000555461879 568414564 /nfs/dbraw/zinc/41/45/64/568414564.db2.gz BVRDDEUZINXKOR-UHFFFAOYSA-N 2 2 362.521 5.009 20 0 FKADLP Cc1c2cccc(Cl)c2sc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000555586883 568421038 /nfs/dbraw/zinc/42/10/38/568421038.db2.gz IWSYQLFXJXXWQM-UHFFFAOYSA-N 2 2 368.893 5.115 20 0 FKADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)c2ccccc21 ZINC000556054676 568427644 /nfs/dbraw/zinc/42/76/44/568427644.db2.gz GVSNYSBXHJVMSS-QGZVFWFLSA-N 2 2 359.448 5.075 20 0 FKADLP C[N@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C[C@H]1c1ccccc1 ZINC000556118721 568429078 /nfs/dbraw/zinc/42/90/78/568429078.db2.gz ITCWJMOTZSOWOL-ROUUACIJSA-N 2 2 368.571 5.324 20 0 FKADLP C[N@@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C[C@H]1c1ccccc1 ZINC000556118721 568429077 /nfs/dbraw/zinc/42/90/77/568429077.db2.gz ITCWJMOTZSOWOL-ROUUACIJSA-N 2 2 368.571 5.324 20 0 FKADLP C[N@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C[C@@H]1c1ccccc1 ZINC000556118722 568428988 /nfs/dbraw/zinc/42/89/88/568428988.db2.gz ITCWJMOTZSOWOL-ZWKOTPCHSA-N 2 2 368.571 5.324 20 0 FKADLP C[N@@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C[C@@H]1c1ccccc1 ZINC000556118722 568428986 /nfs/dbraw/zinc/42/89/86/568428986.db2.gz ITCWJMOTZSOWOL-ZWKOTPCHSA-N 2 2 368.571 5.324 20 0 FKADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556607477 568438926 /nfs/dbraw/zinc/43/89/26/568438926.db2.gz DINJOCMDGOLWEW-GOSISDBHSA-N 2 2 361.489 5.045 20 0 FKADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556607479 568438959 /nfs/dbraw/zinc/43/89/59/568438959.db2.gz DINJOCMDGOLWEW-SFHVURJKSA-N 2 2 361.489 5.045 20 0 FKADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000556609648 568431060 /nfs/dbraw/zinc/43/10/60/568431060.db2.gz ZSUOLOQUSRLRME-GOSISDBHSA-N 2 2 352.309 5.013 20 0 FKADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000556609651 568431049 /nfs/dbraw/zinc/43/10/49/568431049.db2.gz ZSUOLOQUSRLRME-SFHVURJKSA-N 2 2 352.309 5.013 20 0 FKADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(SC2CCCC2)cc1 ZINC000556611312 568432380 /nfs/dbraw/zinc/43/23/80/568432380.db2.gz ZFPOMOZLEWDMDY-INIZCTEOSA-N 2 2 355.551 5.105 20 0 FKADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(SC2CCCC2)cc1 ZINC000556611313 568432370 /nfs/dbraw/zinc/43/23/70/568432370.db2.gz ZFPOMOZLEWDMDY-MRXNPFEDSA-N 2 2 355.551 5.105 20 0 FKADLP CCc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)o2)cc1 ZINC000557684591 568459409 /nfs/dbraw/zinc/45/94/09/568459409.db2.gz FVHCRFQDXNCEMH-UHFFFAOYSA-N 2 2 371.484 5.044 20 0 FKADLP CC(C)(C)C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000557767668 568460714 /nfs/dbraw/zinc/46/07/14/568460714.db2.gz FUCYAHDCECIZNR-JOCHJYFZSA-N 2 2 365.496 5.338 20 0 FKADLP CC(C)(C)C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000557767677 568460769 /nfs/dbraw/zinc/46/07/69/568460769.db2.gz FUCYAHDCECIZNR-QFIPXVFZSA-N 2 2 365.496 5.338 20 0 FKADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000557770313 568460679 /nfs/dbraw/zinc/46/06/79/568460679.db2.gz YIQBWNJUSMMLIY-SFHVURJKSA-N 2 2 373.500 5.399 20 0 FKADLP COc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000558250447 568466559 /nfs/dbraw/zinc/46/65/59/568466559.db2.gz ICJAUNGKTUJHBN-KRWDZBQOSA-N 2 2 372.940 5.013 20 0 FKADLP COc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000558250447 568466558 /nfs/dbraw/zinc/46/65/58/568466558.db2.gz ICJAUNGKTUJHBN-KRWDZBQOSA-N 2 2 372.940 5.013 20 0 FKADLP COc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000558250448 568466564 /nfs/dbraw/zinc/46/65/64/568466564.db2.gz ICJAUNGKTUJHBN-QGZVFWFLSA-N 2 2 372.940 5.013 20 0 FKADLP COc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000558250448 568466563 /nfs/dbraw/zinc/46/65/63/568466563.db2.gz ICJAUNGKTUJHBN-QGZVFWFLSA-N 2 2 372.940 5.013 20 0 FKADLP Cc1nc(-c2ccc([C@H](C)[NH2+]CCCc3c[nH+]ccc3C)cc2)cs1 ZINC000558403818 568480034 /nfs/dbraw/zinc/48/00/34/568480034.db2.gz LCZHEMKIRRPDEQ-INIZCTEOSA-N 2 2 351.519 5.105 20 0 FKADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]CCCc3c[nH+]ccc3C)cc2)cs1 ZINC000558403819 568479965 /nfs/dbraw/zinc/47/99/65/568479965.db2.gz LCZHEMKIRRPDEQ-MRXNPFEDSA-N 2 2 351.519 5.105 20 0 FKADLP Cc1sc(C[NH2+]CCCc2c[nH+]ccc2C)nc1-c1ccc(Cl)cc1 ZINC000558404700 568479951 /nfs/dbraw/zinc/47/99/51/568479951.db2.gz JRCILMFZEFPZDF-UHFFFAOYSA-N 2 2 371.937 5.198 20 0 FKADLP Cc1cc2cc([C@@H](C)[NH2+]Cc3ccccc3Cn3cc[nH+]c3)oc2cc1C ZINC000558508173 568481713 /nfs/dbraw/zinc/48/17/13/568481713.db2.gz CUHQHMUMTFMMPF-GOSISDBHSA-N 2 2 359.473 5.145 20 0 FKADLP Cc1cc2cc([C@H](C)[NH2+]Cc3ccccc3Cn3cc[nH+]c3)oc2cc1C ZINC000558508174 568481725 /nfs/dbraw/zinc/48/17/25/568481725.db2.gz CUHQHMUMTFMMPF-SFHVURJKSA-N 2 2 359.473 5.145 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)c3ccccc3F)ccc2n1C1CC1 ZINC000558968214 568489032 /nfs/dbraw/zinc/48/90/32/568489032.db2.gz JKLMYKNVPPRLEM-IBGZPJMESA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H](CC)c3ccccc3F)ccc2n1C1CC1 ZINC000558968215 568488976 /nfs/dbraw/zinc/48/89/76/568488976.db2.gz JKLMYKNVPPRLEM-LJQANCHMSA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)c3cccc(F)c3)ccc2n1C1CC1 ZINC000558968577 568489035 /nfs/dbraw/zinc/48/90/35/568489035.db2.gz QUMMBGFYYYRLNT-IBGZPJMESA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H](CC)c3cccc(F)c3)ccc2n1C1CC1 ZINC000558968579 568489016 /nfs/dbraw/zinc/48/90/16/568489016.db2.gz QUMMBGFYYYRLNT-LJQANCHMSA-N 2 2 351.469 5.314 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)c3csc(Cl)c3)ccc2n1C1CC1 ZINC000558969123 568489058 /nfs/dbraw/zinc/48/90/58/568489058.db2.gz YWQACGRMYSUFOA-GFCCVEGCSA-N 2 2 359.926 5.499 20 0 FKADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)c3csc(Cl)c3)ccc2n1C1CC1 ZINC000558969125 568489005 /nfs/dbraw/zinc/48/90/05/568489005.db2.gz YWQACGRMYSUFOA-LBPRGKRZSA-N 2 2 359.926 5.499 20 0 FKADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c2ccccc21 ZINC000559739479 568495059 /nfs/dbraw/zinc/49/50/59/568495059.db2.gz IZADOZMWMWPGGF-KRWDZBQOSA-N 2 2 359.448 5.075 20 0 FKADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c2ccccc21 ZINC000559739480 568495076 /nfs/dbraw/zinc/49/50/76/568495076.db2.gz IZADOZMWMWPGGF-QGZVFWFLSA-N 2 2 359.448 5.075 20 0 FKADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741094 568494952 /nfs/dbraw/zinc/49/49/52/568494952.db2.gz OTWCXQLEYQKIIN-UFYCRDLUSA-N 2 2 362.439 5.105 20 0 FKADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741094 568494951 /nfs/dbraw/zinc/49/49/51/568494951.db2.gz OTWCXQLEYQKIIN-UFYCRDLUSA-N 2 2 362.439 5.105 20 0 FKADLP C[N@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559741096 568494999 /nfs/dbraw/zinc/49/49/99/568494999.db2.gz OTWCXQLEYQKIIN-XUVXKRRUSA-N 2 2 362.439 5.105 20 0 FKADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559741096 568494997 /nfs/dbraw/zinc/49/49/97/568494997.db2.gz OTWCXQLEYQKIIN-XUVXKRRUSA-N 2 2 362.439 5.105 20 0 FKADLP C[N@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741098 568494987 /nfs/dbraw/zinc/49/49/87/568494987.db2.gz OTWCXQLEYQKIIN-ZCNNSNEGSA-N 2 2 362.439 5.105 20 0 FKADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559741098 568494985 /nfs/dbraw/zinc/49/49/85/568494985.db2.gz OTWCXQLEYQKIIN-ZCNNSNEGSA-N 2 2 362.439 5.105 20 0 FKADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842828 568498125 /nfs/dbraw/zinc/49/81/25/568498125.db2.gz JSJPMKUMWWELHF-CVAIRZPRSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842828 568498124 /nfs/dbraw/zinc/49/81/24/568498124.db2.gz JSJPMKUMWWELHF-CVAIRZPRSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842829 568498106 /nfs/dbraw/zinc/49/81/06/568498106.db2.gz JSJPMKUMWWELHF-QKYXUNIQSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842829 568498104 /nfs/dbraw/zinc/49/81/04/568498104.db2.gz JSJPMKUMWWELHF-QKYXUNIQSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842830 568498115 /nfs/dbraw/zinc/49/81/15/568498115.db2.gz JSJPMKUMWWELHF-QSFXBCCZSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842830 568498114 /nfs/dbraw/zinc/49/81/14/568498114.db2.gz JSJPMKUMWWELHF-QSFXBCCZSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842831 568498160 /nfs/dbraw/zinc/49/81/60/568498160.db2.gz JSJPMKUMWWELHF-ZAAXVRCTSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc2cccc(F)c2o1 ZINC000559842831 568498159 /nfs/dbraw/zinc/49/81/59/568498159.db2.gz JSJPMKUMWWELHF-ZAAXVRCTSA-N 2 2 352.453 5.058 20 0 FKADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Oc2ccccc2)c(F)c1 ZINC000560267477 568530244 /nfs/dbraw/zinc/53/02/44/568530244.db2.gz PSIZYUROPLIXNN-INIZCTEOSA-N 2 2 365.452 5.002 20 0 FKADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Oc2ccccc2)c(F)c1 ZINC000560267481 568530168 /nfs/dbraw/zinc/53/01/68/568530168.db2.gz PSIZYUROPLIXNN-MRXNPFEDSA-N 2 2 365.452 5.002 20 0 FKADLP c1[nH+]c2n(c1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1)CCCC2 ZINC000560269487 568530414 /nfs/dbraw/zinc/53/04/14/568530414.db2.gz RGVWQEVILWNVKE-HSZRJFAPSA-N 2 2 359.517 5.073 20 0 FKADLP c1[nH+]c2n(c1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1)CCCC2 ZINC000560269488 568530471 /nfs/dbraw/zinc/53/04/71/568530471.db2.gz RGVWQEVILWNVKE-QHCPKHFHSA-N 2 2 359.517 5.073 20 0 FKADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1Cl ZINC000560270242 568530619 /nfs/dbraw/zinc/53/06/19/568530619.db2.gz KVKBQKNWGCHOHB-KRWDZBQOSA-N 2 2 352.309 5.157 20 0 FKADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1Cl ZINC000560270245 568530594 /nfs/dbraw/zinc/53/05/94/568530594.db2.gz KVKBQKNWGCHOHB-QGZVFWFLSA-N 2 2 352.309 5.157 20 0 FKADLP CC(C)Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000560546929 568547624 /nfs/dbraw/zinc/54/76/24/568547624.db2.gz YABJWMIAWVWVTB-UXHICEINSA-N 2 2 365.565 5.156 20 0 FKADLP CC(C)Cc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000560546931 568547619 /nfs/dbraw/zinc/54/76/19/568547619.db2.gz YABJWMIAWVWVTB-VQTJNVASSA-N 2 2 365.565 5.156 20 0 FKADLP CC(C)Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000560546934 568547566 /nfs/dbraw/zinc/54/75/66/568547566.db2.gz YABJWMIAWVWVTB-WOJBJXKFSA-N 2 2 365.565 5.156 20 0 FKADLP