smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NC/C=C/c3ccccc3)[nH+]2)cc1 ZINC000012353889 562981197 /nfs/dbraw/zinc/98/11/97/562981197.db2.gz MYWMXSJPLVTXFS-QPJJXVBHSA-N 2 1 431.544 2.767 1 0 IFAFMP COCC[C@H]1C[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OCC[NH+](C)C)(C2)[C@H]13 ZINC000013522293 562991371 /nfs/dbraw/zinc/99/13/71/562991371.db2.gz NLVQALDWFSJMGA-GMMXXOHYSA-N 2 1 425.573 2.814 1 0 in-vivo IFAFMP COC[C@H]1CC[N@@H+](Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000015066233 563017588 /nfs/dbraw/zinc/01/75/88/563017588.db2.gz BKDPLGGLXKNPRI-FQEVSTJZSA-N 2 1 439.604 2.893 3 0 IFAFMP COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cc3[nH]cc(C)[nH+]3)cc2)cc1OC ZINC000026019713 563028681 /nfs/dbraw/zinc/02/86/81/563028681.db2.gz LISSQGZPXPIKHH-FQEVSTJZSA-N 2 1 425.529 2.898 1 0 IFAFMP c1ccc(CNCc2ccc(CN3CC[NH2+]CCc4cccc(n4)CC[NH2+]CC3)cc2)nc1 ZINC000045245650 563126579 /nfs/dbraw/zinc/12/65/79/563126579.db2.gz DZMPVGVHOGGLAB-UHFFFAOYSA-N 2 1 444.627 2.546 1 0 IFAFMP COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(C[NH2+]CC[NH3+])c1 ZINC000049031227 563135759 /nfs/dbraw/zinc/13/57/59/563135759.db2.gz NCAXMLPLIHPMQU-UHFFFAOYSA-N 2 1 447.461 2.878 1 0 IFAFMP Cc1cc([C@H](OC[C@@H](O)C[NH2+]CC[NH3+])c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048977 563136769 /nfs/dbraw/zinc/13/67/69/563136769.db2.gz IICUDTKHXAPGKE-LAUBAEHRSA-N 2 1 445.361 2.716 1 0 IFAFMP CCc1[nH+]c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cn2c1N(CC)CC[NH+](C)C ZINC000061903325 563147910 /nfs/dbraw/zinc/14/79/10/563147910.db2.gz WRODHODUZZTOQQ-UHFFFAOYSA-N 2 1 437.544 2.943 3 0 IFAFMP C[NH+](C)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000064540068 563155197 /nfs/dbraw/zinc/15/51/97/563155197.db2.gz PEIVQINSXIEBQD-KRWDZBQOSA-N 2 1 426.952 2.680 1 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000082149088 563172956 /nfs/dbraw/zinc/17/29/56/563172956.db2.gz OHZBEXNQDNVNLI-VJBMBRPKSA-N 2 1 428.621 2.830 1 0 IFAFMP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2)CC1 ZINC000084854164 563179842 /nfs/dbraw/zinc/17/98/42/563179842.db2.gz NNUVUXVSCFWCLA-HSZRJFAPSA-N 2 1 443.613 2.995 1 0 IFAFMP CCNC(=O)N(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000034800941 563087366 /nfs/dbraw/zinc/08/73/66/563087366.db2.gz XEMCUJCVRDSIHH-YFVAEKQCSA-N 2 1 425.577 2.638 1 0 IFAFMP C[NH+]1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6C[N@H+](C)C[C@@H]6C5)ccc3-4)C[C@H]2C1 ZINC000038334778 563097421 /nfs/dbraw/zinc/09/74/21/563097421.db2.gz PRVQUHCHLVLICX-WTGUMLROSA-N 2 1 428.580 2.894 1 0 IFAFMP c1ccc(CNCc2ccc(CN3CC[NH2+]CCc4cncc(c4)CC[NH2+]CC3)cc2)nc1 ZINC000045256186 563127325 /nfs/dbraw/zinc/12/73/25/563127325.db2.gz PFSXVKFIGWIZFZ-UHFFFAOYSA-N 2 1 444.627 2.546 1 0 IFAFMP Cc1cc([C@@H](OC[C@H](O)C[NH2+]CC[NH3+])c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048973 563136756 /nfs/dbraw/zinc/13/67/56/563136756.db2.gz IICUDTKHXAPGKE-UTKZUKDTSA-N 2 1 445.361 2.716 1 0 IFAFMP CCc1[nH+]c2ccc(C(=O)N3CCN(C)CC3)cn2c1N(CCC(C)C)CC[NH+](C)C ZINC000061895535 563147088 /nfs/dbraw/zinc/14/70/88/563147088.db2.gz KCGDMJBCSPDOJF-UHFFFAOYSA-N 2 1 428.625 2.698 3 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)C1CCCCC1 ZINC000082152402 563173362 /nfs/dbraw/zinc/17/33/62/563173362.db2.gz CHTNLBXSBITESO-OYDLWJJNSA-N 2 1 442.648 2.873 1 0 IFAFMP NC(=[NH2+])c1cc(F)c([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]23)c(F)c1 ZINC000096941631 563200273 /nfs/dbraw/zinc/20/02/73/563200273.db2.gz XTZZXYSXGCNSCN-LEAZDLGRSA-N 2 1 442.441 2.708 1 0 IFAFMP CN(CC[N@@H+](C)CCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1 ZINC000019360946 563022745 /nfs/dbraw/zinc/02/27/45/563022745.db2.gz GHRJGIRGSVEHBA-UHFFFAOYSA-N 2 1 429.436 2.954 1 0 IFAFMP O=C(C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000049067394 563137395 /nfs/dbraw/zinc/13/73/95/563137395.db2.gz IDJLCESCKMKJFN-CLJLJLNGSA-N 2 1 433.596 2.571 1 0 IFAFMP COc1ccc2c(c1)C[NH2+][C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC[NH+](C)C)C2 ZINC000058563895 563144579 /nfs/dbraw/zinc/14/45/79/563144579.db2.gz PCTPVZRMOUJRQY-JOCHJYFZSA-N 2 1 435.528 2.679 1 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CCCCC1 ZINC000082149892 563173110 /nfs/dbraw/zinc/17/31/10/563173110.db2.gz IELLGYJMVPHBIT-TZYHBYERSA-N 2 1 446.611 2.622 1 0 IFAFMP NC(=[NH2+])c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]23)c(F)c1F ZINC000096941632 563200294 /nfs/dbraw/zinc/20/02/94/563200294.db2.gz OKXBXPCSCCLAKO-BOSXTWCSSA-N 2 1 442.441 2.708 1 0 IFAFMP [NH3+]CCCC[C@H](NC(=O)C[N@H+](C1CC1)C1Cc2ccccc2C1)C(=O)c1nccs1 ZINC000013491428 562990481 /nfs/dbraw/zinc/99/04/81/562990481.db2.gz JSKMVHUXIFUGCO-FQEVSTJZSA-N 2 1 426.586 2.571 1 0 IFAFMP [NH3+]CCCC[C@H](NC(=O)C[N@@H+](C1CC1)C1Cc2ccccc2C1)C(=O)c1nccs1 ZINC000013491428 562990483 /nfs/dbraw/zinc/99/04/83/562990483.db2.gz JSKMVHUXIFUGCO-FQEVSTJZSA-N 2 1 426.586 2.571 1 0 IFAFMP OC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 ZINC000013794098 563007068 /nfs/dbraw/zinc/00/70/68/563007068.db2.gz QYBNKBNKUCJAOT-UQBPGWFLSA-N 2 1 430.556 2.936 1 0 IFAFMP OC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 ZINC000013794098 563007070 /nfs/dbraw/zinc/00/70/70/563007070.db2.gz QYBNKBNKUCJAOT-UQBPGWFLSA-N 2 1 430.556 2.936 1 0 IFAFMP COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000015066232 563017452 /nfs/dbraw/zinc/01/74/52/563017452.db2.gz BKDPLGGLXKNPRI-HXUWFJFHSA-N 2 1 439.604 2.893 3 0 IFAFMP CC(C)C[NH+](CCCN1CC[NH+](CCCNc2ncnc3[nH]cnc32)CC1)CC(C)C ZINC000027211590 563041078 /nfs/dbraw/zinc/04/10/78/563041078.db2.gz UICAFCUSJUHCJA-UHFFFAOYSA-N 2 1 430.645 2.777 1 0 IFAFMP c1cc(C2=[NH+]CCCN2)cc2[nH]c(CCc3nc4cc(C5=[NH+]CCCN5)ccc4[nH]3)nc12 ZINC000029465904 563080316 /nfs/dbraw/zinc/08/03/16/563080316.db2.gz MOQICNYYDKSYTL-UHFFFAOYSA-N 2 1 426.528 2.704 1 0 IFAFMP C[NH+](C)CCNC(=O)c1cccc(-c2cc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]n2)c1 ZINC000066102917 563158580 /nfs/dbraw/zinc/15/85/80/563158580.db2.gz QAQWPWFBJVAUGI-UHFFFAOYSA-N 2 1 432.572 2.787 1 0 IFAFMP [NH3+]C1(C(=O)N[C@H](CCCO)c2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000095585033 563188700 /nfs/dbraw/zinc/18/87/00/563188700.db2.gz LDSYQXFMCPTTQM-GOSISDBHSA-N 2 1 442.951 2.539 1 0 IFAFMP C[NH+]1CCN(c2nc(N3CCc4ccccc4C3)nc(N3CCc4ccccc4C3)n2)CC1 ZINC000058494175 563143587 /nfs/dbraw/zinc/14/35/87/563143587.db2.gz GPVYLUYIZNGZRG-UHFFFAOYSA-N 2 1 441.583 2.749 1 0 IFAFMP COCC[C@@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(Cl)cc1 ZINC000095581934 563187780 /nfs/dbraw/zinc/18/77/80/563187780.db2.gz IDQNLUQAYNKBEW-GOSISDBHSA-N 2 1 442.951 2.803 1 0 IFAFMP C[NH+]1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6C[N@@H+](C)C[C@@H]6C5)ccc3-4)C[C@@H]2C1 ZINC000038334777 563097397 /nfs/dbraw/zinc/09/73/97/563097397.db2.gz PRVQUHCHLVLICX-LWYYNNOASA-N 2 1 428.580 2.894 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000025982082 563027968 /nfs/dbraw/zinc/02/79/68/563027968.db2.gz VPXOYTUYUSWRNP-SFTDATJTSA-N 2 1 439.581 2.675 1 0 IFAFMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000028472207 563055569 /nfs/dbraw/zinc/05/55/69/563055569.db2.gz IUEOPNSORDJPDT-FQEVSTJZSA-N 2 1 425.529 2.750 1 0 IFAFMP Cc1cc([C@H](OC[C@H](O)C[NH2+]CC[NH3+])c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048969 563136753 /nfs/dbraw/zinc/13/67/53/563136753.db2.gz IICUDTKHXAPGKE-DYESRHJHSA-N 2 1 445.361 2.716 1 0 IFAFMP CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCC[NH2+]CC[NH3+] ZINC000022927889 563026152 /nfs/dbraw/zinc/02/61/52/563026152.db2.gz KUDFYAJTEPHREW-QFIPXVFZSA-N 2 1 434.625 2.615 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000025982073 563027991 /nfs/dbraw/zinc/02/79/91/563027991.db2.gz VPXOYTUYUSWRNP-OYRHEFFESA-N 2 1 439.581 2.675 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000025982073 563027992 /nfs/dbraw/zinc/02/79/92/563027992.db2.gz VPXOYTUYUSWRNP-OYRHEFFESA-N 2 1 439.581 2.675 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000025982073 563027993 /nfs/dbraw/zinc/02/79/93/563027993.db2.gz VPXOYTUYUSWRNP-OYRHEFFESA-N 2 1 439.581 2.675 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000025982073 563027994 /nfs/dbraw/zinc/02/79/94/563027994.db2.gz VPXOYTUYUSWRNP-OYRHEFFESA-N 2 1 439.581 2.675 1 0 IFAFMP COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cc3[nH]cc(C)[nH+]3)cc2)cc1OC ZINC000026019706 563028673 /nfs/dbraw/zinc/02/86/73/563028673.db2.gz LISSQGZPXPIKHH-HXUWFJFHSA-N 2 1 425.529 2.898 1 0 IFAFMP COc1ccc2[nH+]ccc(N3CCC(CC[NH2+]Cc4ccc5c(n4)NC(=O)CO5)CC3)c2n1 ZINC000045210800 563125320 /nfs/dbraw/zinc/12/53/20/563125320.db2.gz JPZBGPPBGDLRMB-UHFFFAOYSA-N 2 1 448.527 2.761 1 0 IFAFMP CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCC[NH2+]CC[NH3+] ZINC000027649704 563045171 /nfs/dbraw/zinc/04/51/71/563045171.db2.gz KUDFYAJTEPHREW-JOCHJYFZSA-N 2 1 434.625 2.615 1 0 IFAFMP COc1cccc2c1C[NH2+][C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC[NH+](C)C)C2 ZINC000058568625 563144561 /nfs/dbraw/zinc/14/45/61/563144561.db2.gz AMNIVLUAYOFKBK-NRFANRHFSA-N 2 1 435.528 2.679 1 0 IFAFMP [NH3+]C1(C(=O)N[C@@H](CCCO)c2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000095585034 563188712 /nfs/dbraw/zinc/18/87/12/563188712.db2.gz LDSYQXFMCPTTQM-SFHVURJKSA-N 2 1 442.951 2.539 1 0 IFAFMP c1cc(C2=[NH+]CCN2)cc2[nH]c(CCCCc3nc4cc(C5=[NH+]CCN5)ccc4[nH]3)nc12 ZINC000001541647 562922634 /nfs/dbraw/zinc/92/26/34/562922634.db2.gz HSOKEDVIVDSCPU-UHFFFAOYSA-N 2 1 426.528 2.704 1 0 IFAFMP OC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 ZINC000013794095 563007102 /nfs/dbraw/zinc/00/71/02/563007102.db2.gz QYBNKBNKUCJAOT-DFBJGRDBSA-N 2 1 430.556 2.936 1 0 IFAFMP OC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2c[nH]c3ccc(-n4cnnc4)cc23)C1)c1ccccc1 ZINC000013794095 563007104 /nfs/dbraw/zinc/00/71/04/563007104.db2.gz QYBNKBNKUCJAOT-DFBJGRDBSA-N 2 1 430.556 2.936 1 0 IFAFMP CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+]2C1 ZINC000040897834 563110658 /nfs/dbraw/zinc/11/06/58/563110658.db2.gz AYYVLQZMTIGZEW-MLCQCVOFSA-N 2 1 434.584 2.741 1 0 IFAFMP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2)CC1 ZINC000084854163 563179835 /nfs/dbraw/zinc/17/98/35/563179835.db2.gz NNUVUXVSCFWCLA-QHCPKHFHSA-N 2 1 443.613 2.995 1 0 IFAFMP CNS(=O)(=O)Cc1ccc2[nH]cc(CC[N@H+]3CC[C@@H](C[NH2+]Cc4ccccc4)C3)c2c1 ZINC000003826485 562939008 /nfs/dbraw/zinc/93/90/08/562939008.db2.gz MGCUTECDFDAQCK-NRFANRHFSA-N 2 1 440.613 2.871 1 0 IFAFMP O=C1c2ccccc2S(=O)(=O)N1CCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000025982089 563027975 /nfs/dbraw/zinc/02/79/75/563027975.db2.gz VPXOYTUYUSWRNP-NHCUHLMSSA-N 2 1 439.581 2.675 1 0 IFAFMP COCCN(C)CC[NH+]1CCC(n2cc(-c3cccc(OC)c3)c3c2nc[nH+]c3N)CC1 ZINC000027900837 563048352 /nfs/dbraw/zinc/04/83/52/563048352.db2.gz HNYSHAGTWNOVGB-UHFFFAOYSA-N 2 1 438.576 2.904 1 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C1CCCCC1 ZINC000073199125 563170190 /nfs/dbraw/zinc/17/01/90/563170190.db2.gz DWCMJOABGJQOPI-HARLFGEKSA-N 2 1 446.611 2.622 1 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C1CCCCC1 ZINC000073199770 563170258 /nfs/dbraw/zinc/17/02/58/563170258.db2.gz FVHUOYRFKRONMN-TZYHBYERSA-N 2 1 446.611 2.622 1 0 IFAFMP COCC[C@H](NC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1ccc(Cl)cc1 ZINC000095581933 563187753 /nfs/dbraw/zinc/18/77/53/563187753.db2.gz IDQNLUQAYNKBEW-SFHVURJKSA-N 2 1 442.951 2.803 1 0 IFAFMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)N1CCc2[nH]c(=O)c3cc(F)ccc3c2C1 ZINC000013536356 562992476 /nfs/dbraw/zinc/99/24/76/562992476.db2.gz LLOZCXSFXPVSID-UHFFFAOYSA-N 2 1 426.536 2.915 1 0 IFAFMP OCC[NH+]1CCN(Cc2ccc3c(c2)C[N@H+](Cc2cccc4ncccc24)CCO3)CC1 ZINC000019740749 563022847 /nfs/dbraw/zinc/02/28/47/563022847.db2.gz LIBJZOHGWMUCFJ-UHFFFAOYSA-N 2 1 432.568 2.739 1 0 IFAFMP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(CCC[NH2+]CC2CCCCC2)CC1 ZINC000029341888 563078587 /nfs/dbraw/zinc/07/85/87/563078587.db2.gz WFLGVZBPAQEEGC-UHFFFAOYSA-N 2 1 426.605 2.850 1 0 IFAFMP NC(=[NH2+])c1c(F)cc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCC[N@@H+]23)cc1F ZINC000034480135 563086356 /nfs/dbraw/zinc/08/63/56/563086356.db2.gz ZFDWMVFQODXKMG-LEAZDLGRSA-N 2 1 442.441 2.708 1 0 IFAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCC[NH2+]CCc1ccccc1)ccc2O ZINC000034946057 563088539 /nfs/dbraw/zinc/08/85/39/563088539.db2.gz FMRMQJKRHKYSLD-IBGZPJMESA-N 2 1 447.626 2.874 1 0 IFAFMP COc1ccc2[nH+]ccc(N3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000006716196 562948263 /nfs/dbraw/zinc/94/82/63/562948263.db2.gz FJJRARSJHITRGH-UHFFFAOYSA-N 2 1 436.541 2.836 1 0 IFAFMP c1ccc(CNCc2ccc(CN3CC[NH2+]CCCSCCC[NH2+]CC3)cc2)nc1 ZINC000022451156 563025564 /nfs/dbraw/zinc/02/55/64/563025564.db2.gz FGBPUOCVXGNHPY-UHFFFAOYSA-N 2 1 427.662 2.880 1 0 IFAFMP O=C([C@H]1CCC[NH2+]1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)cc[nH+]2)CC1 ZINC000028563239 563057648 /nfs/dbraw/zinc/05/76/48/563057648.db2.gz KRHPKCNOPOMSIP-QGZVFWFLSA-N 2 1 435.359 2.796 1 0 IFAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCc3ccccc3)[nH+]2)cc1 ZINC000013492547 562990610 /nfs/dbraw/zinc/99/06/10/562990610.db2.gz CHVWALVAKFEZLK-UHFFFAOYSA-N 2 1 433.560 2.686 1 0 IFAFMP c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCNCC[NH2+]CCc4cccc(n4)CC3)cc2)nc1 ZINC000045260049 563127657 /nfs/dbraw/zinc/12/76/57/563127657.db2.gz JNHUKKWCWSUTLU-UHFFFAOYSA-N 3 1 444.627 2.546 1 0 IFAFMP c1ccc(CNCc2ccc(C[N@@H+]3CCNCC[NH2+]CCc4cccc(n4)CC3)cc2)nc1 ZINC000045260049 563127658 /nfs/dbraw/zinc/12/76/58/563127658.db2.gz JNHUKKWCWSUTLU-UHFFFAOYSA-N 2 1 444.627 2.546 1 0 IFAFMP c1ccc(CNCc2ccc(C[N@H+]3CCNCC[NH2+]CCc4cccc(n4)CC3)cc2)nc1 ZINC000045260049 563127659 /nfs/dbraw/zinc/12/76/59/563127659.db2.gz JNHUKKWCWSUTLU-UHFFFAOYSA-N 2 1 444.627 2.546 1 0 IFAFMP C[NH+]1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6C[N@@H+](C)C[C@@H]6C5)ccc3-4)C[C@H]2C1 ZINC000038334776 563097434 /nfs/dbraw/zinc/09/74/34/563097434.db2.gz PRVQUHCHLVLICX-FGYAAKKASA-N 2 1 428.580 2.894 1 0 IFAFMP Cc1cc([C@@H](OC[C@@H](O)C[NH2+]CC[NH3+])c2ccncc2)c2cc(Br)ccc2n1 ZINC000049048981 563136747 /nfs/dbraw/zinc/13/67/47/563136747.db2.gz IICUDTKHXAPGKE-UWJYYQICSA-N 2 1 445.361 2.716 1 0 IFAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(C)(C)C ZINC000082151594 563173266 /nfs/dbraw/zinc/17/32/66/563173266.db2.gz NRCKEKHBXPOXNH-FFZOFVMBSA-N 2 1 437.028 2.602 1 0 IFAFMP