smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4 ZINC000003995590 552425473 /nfs/dbraw/zinc/42/54/73/552425473.db2.gz APSUXPSYBJVPPS-YAUKWVCOSA-N 2 1 661.799 3.824 50 0 in-vivo KHAAMP COc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c(OC)c1 ZINC000009265755 553229855 /nfs/dbraw/zinc/22/98/55/553229855.db2.gz ZKLGFSGMWCMACE-UHFFFAOYSA-N 2 1 504.660 3.958 50 0 KHAAMP COc1ccc(OC)c(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000009265756 553229834 /nfs/dbraw/zinc/22/98/34/553229834.db2.gz GLXYDAUDOULDLV-UHFFFAOYSA-N 2 1 504.660 3.958 50 0 KHAAMP C[N@H+](Cc1cccc(OCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000011967788 1066503938 /nfs/dbraw/zinc/50/39/38/1066503938.db2.gz CSJUUOGIFYNWAL-LJAQVGFWSA-N 2 1 540.708 3.752 50 0 KHAAMP C[N@H+](Cc1cccc(OCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000011967805 1066503803 /nfs/dbraw/zinc/50/38/03/1066503803.db2.gz CSJUUOGIFYNWAL-GDLZYMKVSA-N 2 1 540.708 3.752 50 0 KHAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014534069 1066855136 /nfs/dbraw/zinc/85/51/36/1066855136.db2.gz YVQWCDUXQPSTAY-LITSAYRRSA-N 2 1 505.703 3.573 50 0 KHAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014534069 1066855127 /nfs/dbraw/zinc/85/51/27/1066855127.db2.gz YVQWCDUXQPSTAY-LITSAYRRSA-N 2 1 505.703 3.573 50 0 KHAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014536065 1066855922 /nfs/dbraw/zinc/85/59/22/1066855922.db2.gz IQHYAPBFOCHOMD-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014536065 1066855918 /nfs/dbraw/zinc/85/59/18/1066855918.db2.gz IQHYAPBFOCHOMD-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(O)cc2)C1 ZINC000014536065 1066855915 /nfs/dbraw/zinc/85/59/15/1066855915.db2.gz IQHYAPBFOCHOMD-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014536066 1066856030 /nfs/dbraw/zinc/85/60/30/1066856030.db2.gz IQHYAPBFOCHOMD-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014536066 1066856022 /nfs/dbraw/zinc/85/60/22/1066856022.db2.gz IQHYAPBFOCHOMD-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(O)cc2)C1 ZINC000014536066 1066856011 /nfs/dbraw/zinc/85/60/11/1066856011.db2.gz IQHYAPBFOCHOMD-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539509 553518349 /nfs/dbraw/zinc/51/83/49/553518349.db2.gz XTCNLYBPFIVGDK-SGIRGMQISA-N 2 1 526.653 3.520 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539509 553518346 /nfs/dbraw/zinc/51/83/46/553518346.db2.gz XTCNLYBPFIVGDK-SGIRGMQISA-N 2 1 526.653 3.520 50 0 KHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[NH+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539509 553518343 /nfs/dbraw/zinc/51/83/43/553518343.db2.gz XTCNLYBPFIVGDK-SGIRGMQISA-N 2 1 526.653 3.520 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539510 553518331 /nfs/dbraw/zinc/51/83/31/553518331.db2.gz XTCNLYBPFIVGDK-FBLLAGFSSA-N 2 1 526.653 3.520 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539510 553518328 /nfs/dbraw/zinc/51/83/28/553518328.db2.gz XTCNLYBPFIVGDK-FBLLAGFSSA-N 2 1 526.653 3.520 50 0 KHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[NH+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014539510 553518325 /nfs/dbraw/zinc/51/83/25/553518325.db2.gz XTCNLYBPFIVGDK-FBLLAGFSSA-N 2 1 526.653 3.520 50 0 KHAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014539987 553518576 /nfs/dbraw/zinc/51/85/76/553518576.db2.gz ZAYALHITZNAGFE-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014539987 553518575 /nfs/dbraw/zinc/51/85/75/553518575.db2.gz ZAYALHITZNAGFE-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014539987 553518573 /nfs/dbraw/zinc/51/85/73/553518573.db2.gz ZAYALHITZNAGFE-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014539988 553518541 /nfs/dbraw/zinc/51/85/41/553518541.db2.gz ZAYALHITZNAGFE-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014539988 553518539 /nfs/dbraw/zinc/51/85/39/553518539.db2.gz ZAYALHITZNAGFE-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014539988 553518538 /nfs/dbraw/zinc/51/85/38/553518538.db2.gz ZAYALHITZNAGFE-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014540941 553518587 /nfs/dbraw/zinc/51/85/87/553518587.db2.gz GSIWUAWBYCKYSY-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014540941 553518586 /nfs/dbraw/zinc/51/85/86/553518586.db2.gz GSIWUAWBYCKYSY-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(O)cc2)C1 ZINC000014540941 553518585 /nfs/dbraw/zinc/51/85/85/553518585.db2.gz GSIWUAWBYCKYSY-ZWEKWIFMSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014540942 553518561 /nfs/dbraw/zinc/51/85/61/553518561.db2.gz GSIWUAWBYCKYSY-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014540942 553518559 /nfs/dbraw/zinc/51/85/59/553518559.db2.gz GSIWUAWBYCKYSY-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(O)cc2)C1 ZINC000014540942 553518557 /nfs/dbraw/zinc/51/85/57/553518557.db2.gz GSIWUAWBYCKYSY-WEWMWRJBSA-N 2 1 504.675 3.558 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541214 553518526 /nfs/dbraw/zinc/51/85/26/553518526.db2.gz GZPDWWAPWJRVPK-ARNLJNQMSA-N 2 1 513.654 3.961 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541214 553518525 /nfs/dbraw/zinc/51/85/25/553518525.db2.gz GZPDWWAPWJRVPK-ARNLJNQMSA-N 2 1 513.654 3.961 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541214 553518524 /nfs/dbraw/zinc/51/85/24/553518524.db2.gz GZPDWWAPWJRVPK-ARNLJNQMSA-N 2 1 513.654 3.961 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541215 553518514 /nfs/dbraw/zinc/51/85/14/553518514.db2.gz GZPDWWAPWJRVPK-JBRSBNLGSA-N 2 1 513.654 3.961 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541215 553518513 /nfs/dbraw/zinc/51/85/13/553518513.db2.gz GZPDWWAPWJRVPK-JBRSBNLGSA-N 2 1 513.654 3.961 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000014541215 553518512 /nfs/dbraw/zinc/51/85/12/553518512.db2.gz GZPDWWAPWJRVPK-JBRSBNLGSA-N 2 1 513.654 3.961 50 0 KHAAMP C[NH+](C)CCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014542456 1066855830 /nfs/dbraw/zinc/85/58/30/1066855830.db2.gz VUOLMFCIIJWAIG-BJKOFHAPSA-N 2 1 501.675 3.801 50 0 KHAAMP Cn1ccnc1C[NH+]1C[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855734 /nfs/dbraw/zinc/85/57/34/1066855734.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[NH+]1C[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855726 /nfs/dbraw/zinc/85/57/26/1066855726.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[N@@H+]1C[C@H](C(=O)NCC[C@H]2CCC[NH+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855719 /nfs/dbraw/zinc/85/57/19/1066855719.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[N@H+]1C[C@H](C(=O)NCC[C@H]2CCC[NH+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855711 /nfs/dbraw/zinc/85/57/11/1066855711.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[NH+]1C[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855994 /nfs/dbraw/zinc/85/59/94/1066855994.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[NH+]1C[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855988 /nfs/dbraw/zinc/85/59/88/1066855988.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[N@@H+]1C[C@H](C(=O)NCC[C@@H]2CCC[NH+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855984 /nfs/dbraw/zinc/85/59/84/1066855984.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 2 1 507.601 3.557 50 0 KHAAMP Cn1ccnc1C[N@H+]1C[C@H](C(=O)NCC[C@@H]2CCC[NH+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855980 /nfs/dbraw/zinc/85/59/80/1066855980.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 2 1 507.601 3.557 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014731673 553519330 /nfs/dbraw/zinc/51/93/30/553519330.db2.gz ZAWYGADIHLPIPD-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014731673 553519328 /nfs/dbraw/zinc/51/93/28/553519328.db2.gz ZAWYGADIHLPIPD-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014731673 553519327 /nfs/dbraw/zinc/51/93/27/553519327.db2.gz ZAWYGADIHLPIPD-YIKNKFAXSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014731676 553519434 /nfs/dbraw/zinc/51/94/34/553519434.db2.gz ZAWYGADIHLPIPD-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014731676 553519432 /nfs/dbraw/zinc/51/94/32/553519432.db2.gz ZAWYGADIHLPIPD-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014731676 553519429 /nfs/dbraw/zinc/51/94/29/553519429.db2.gz ZAWYGADIHLPIPD-GKRYNVPLSA-N 2 1 502.703 3.895 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[NH+](C)C)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014732667 553519417 /nfs/dbraw/zinc/51/94/17/553519417.db2.gz NWBRINYJTXHZRO-LEWJYISDSA-N 2 1 523.596 3.918 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746334 553520135 /nfs/dbraw/zinc/52/01/35/553520135.db2.gz NIEVCEWZWKAJPZ-GVAUOCQISA-N 2 1 510.679 3.525 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746334 553520132 /nfs/dbraw/zinc/52/01/32/553520132.db2.gz NIEVCEWZWKAJPZ-GVAUOCQISA-N 2 1 510.679 3.525 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746334 553520129 /nfs/dbraw/zinc/52/01/29/553520129.db2.gz NIEVCEWZWKAJPZ-GVAUOCQISA-N 2 1 510.679 3.525 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746335 553520013 /nfs/dbraw/zinc/52/00/13/553520013.db2.gz NIEVCEWZWKAJPZ-ISJGIBHGSA-N 2 1 510.679 3.525 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746335 553520012 /nfs/dbraw/zinc/52/00/12/553520012.db2.gz NIEVCEWZWKAJPZ-ISJGIBHGSA-N 2 1 510.679 3.525 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014746335 553520011 /nfs/dbraw/zinc/52/00/11/553520011.db2.gz NIEVCEWZWKAJPZ-ISJGIBHGSA-N 2 1 510.679 3.525 50 0 KHAAMP C[NH+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978739 553523272 /nfs/dbraw/zinc/52/32/72/553523272.db2.gz VRTBMOBVTDDRRL-PMERELPUSA-N 2 1 515.702 3.874 50 0 KHAAMP C[NH+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978739 553523270 /nfs/dbraw/zinc/52/32/70/553523270.db2.gz VRTBMOBVTDDRRL-PMERELPUSA-N 2 1 515.702 3.874 50 0 KHAAMP C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978739 553523267 /nfs/dbraw/zinc/52/32/67/553523267.db2.gz VRTBMOBVTDDRRL-PMERELPUSA-N 2 1 515.702 3.874 50 0 KHAAMP C[NH+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978743 553523180 /nfs/dbraw/zinc/52/31/80/553523180.db2.gz VRTBMOBVTDDRRL-SSEXGKCCSA-N 2 1 515.702 3.874 50 0 KHAAMP C[NH+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978743 553523178 /nfs/dbraw/zinc/52/31/78/553523178.db2.gz VRTBMOBVTDDRRL-SSEXGKCCSA-N 2 1 515.702 3.874 50 0 KHAAMP C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000014978743 553523177 /nfs/dbraw/zinc/52/31/77/553523177.db2.gz VRTBMOBVTDDRRL-SSEXGKCCSA-N 2 1 515.702 3.874 50 0 KHAAMP CCN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)C[N@H+]3Cc3cccc(C)c3)CC2)CC1 ZINC000019840440 553623264 /nfs/dbraw/zinc/62/32/64/553623264.db2.gz KKZJMSURFRKEGY-SVBPBHIXSA-N 2 1 507.748 3.754 50 0 KHAAMP C[NH+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)c1 ZINC000020119149 1066291202 /nfs/dbraw/zinc/29/12/02/1066291202.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 2 1 518.727 3.960 50 0 KHAAMP C[NH+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)c1 ZINC000020119149 1066291191 /nfs/dbraw/zinc/29/11/91/1066291191.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 2 1 518.727 3.960 50 0 KHAAMP C[N@@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH+]3C)CC2)c1 ZINC000020119149 1066291171 /nfs/dbraw/zinc/29/11/71/1066291171.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 2 1 518.727 3.960 50 0 KHAAMP C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH+]3C)CC2)c1 ZINC000020119149 1066291157 /nfs/dbraw/zinc/29/11/57/1066291157.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 2 1 518.727 3.960 50 0 KHAAMP C[NH+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)c1 ZINC000020119152 1066291353 /nfs/dbraw/zinc/29/13/53/1066291353.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 2 1 518.727 3.960 50 0 KHAAMP C[NH+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)c1 ZINC000020119152 1066291345 /nfs/dbraw/zinc/29/13/45/1066291345.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 2 1 518.727 3.960 50 0 KHAAMP C[N@@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4C[NH+]3C)CC2)c1 ZINC000020119152 1066291326 /nfs/dbraw/zinc/29/13/26/1066291326.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 2 1 518.727 3.960 50 0 KHAAMP C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4C[NH+]3C)CC2)c1 ZINC000020119152 1066291313 /nfs/dbraw/zinc/29/13/13/1066291313.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 2 1 518.727 3.960 50 0 KHAAMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020136264 553593933 /nfs/dbraw/zinc/59/39/33/553593933.db2.gz HPAIWGUTDLGNOA-XMMPIXPASA-N 2 1 508.711 3.785 50 0 KHAAMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020136268 553593861 /nfs/dbraw/zinc/59/38/61/553593861.db2.gz HPAIWGUTDLGNOA-DEOSSOPVSA-N 2 1 508.711 3.785 50 0 KHAAMP Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000020153859 553598661 /nfs/dbraw/zinc/59/86/61/553598661.db2.gz ALOSKXJVICKPQS-UHFFFAOYSA-N 2 1 535.737 3.933 50 0 KHAAMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc4ccccc43)C2)CC1 ZINC000020908260 553703565 /nfs/dbraw/zinc/70/35/65/553703565.db2.gz OXEJVYGYPYXJLM-IAPPQJPRSA-N 2 1 514.670 3.554 50 0 KHAAMP COc1ccc(CCN(C)C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CC[NH+](C)CC2)cc1OC ZINC000023340445 553774498 /nfs/dbraw/zinc/77/44/98/553774498.db2.gz MWYJGEDLQWRBGE-WUFINQPMSA-N 2 1 522.734 3.623 50 0 KHAAMP COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CC[NH+](C)CC3)C[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000023353874 1066217735 /nfs/dbraw/zinc/21/77/35/1066217735.db2.gz JXBFZGOZULWQSS-GGXMVOPNSA-N 2 1 500.687 3.850 50 0 KHAAMP COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000023354190 1066218834 /nfs/dbraw/zinc/21/88/34/1066218834.db2.gz RPQOVJSTSDECSS-VAVYLYDRSA-N 2 1 500.687 3.850 50 0 KHAAMP Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCC[NH+]2CCCC2)C[C@@H]2CCCO2)c1 ZINC000034708286 553994405 /nfs/dbraw/zinc/99/44/05/553994405.db2.gz UQHNWNUVIVLZOR-IGKIAQTJSA-N 2 1 501.618 3.914 50 0 KHAAMP Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCC[NH+]2CCCC2)C[C@H]2CCCO2)c1 ZINC000034708287 553994545 /nfs/dbraw/zinc/99/45/45/553994545.db2.gz UQHNWNUVIVLZOR-SQHAQQRYSA-N 2 1 501.618 3.914 50 0 KHAAMP O=C(NCC[NH+]1CCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871572 554086129 /nfs/dbraw/zinc/08/61/29/554086129.db2.gz PQZBCIJUUFDXPQ-AHWVRZQESA-N 2 1 516.608 3.659 50 0 KHAAMP O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000035926861 554100751 /nfs/dbraw/zinc/10/07/51/554100751.db2.gz ULNIQFCLAZWGEN-UHFFFAOYSA-N 2 1 518.628 3.561 50 0 KHAAMP O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000035926877 554100792 /nfs/dbraw/zinc/10/07/92/554100792.db2.gz NFIGTSYXPWZDLU-UHFFFAOYSA-N 2 1 532.655 3.951 50 0 KHAAMP O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000035926877 554100789 /nfs/dbraw/zinc/10/07/89/554100789.db2.gz NFIGTSYXPWZDLU-UHFFFAOYSA-N 2 1 532.655 3.951 50 0 KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085432544 553682019 /nfs/dbraw/zinc/68/20/19/553682019.db2.gz JXLYSJRDGCGARV-CFWMRBGOSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085432544 553682016 /nfs/dbraw/zinc/68/20/16/553682016.db2.gz JXLYSJRDGCGARV-CFWMRBGOSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085432544 553682014 /nfs/dbraw/zinc/68/20/14/553682014.db2.gz JXLYSJRDGCGARV-CFWMRBGOSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085555528 553683936 /nfs/dbraw/zinc/68/39/36/553683936.db2.gz JXLYSJRDGCGARV-XQKSVPLYSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085555528 553683934 /nfs/dbraw/zinc/68/39/34/553683934.db2.gz JXLYSJRDGCGARV-XQKSVPLYSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000085555528 553683931 /nfs/dbraw/zinc/68/39/31/553683931.db2.gz JXLYSJRDGCGARV-XQKSVPLYSA-N 2 1 810.989 3.991 50 0 biogenic,fda KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000094313262 553697518 /nfs/dbraw/zinc/69/75/18/553697518.db2.gz JXLYSJRDGCGARV-WWYNWVTFSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000094313262 553697516 /nfs/dbraw/zinc/69/75/16/553697516.db2.gz JXLYSJRDGCGARV-WWYNWVTFSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000094313262 553697515 /nfs/dbraw/zinc/69/75/15/553697515.db2.gz JXLYSJRDGCGARV-WWYNWVTFSA-N 2 1 810.989 3.991 50 0 KHAAMP O=C(CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCC(O)CC1 ZINC000100962527 554542631 /nfs/dbraw/zinc/54/26/31/554542631.db2.gz VAHJQFINIGMFKQ-FREGXXQWSA-N 2 1 534.720 3.569 50 0 KHAAMP C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000101370930 1066194798 /nfs/dbraw/zinc/19/47/98/1066194798.db2.gz DYOCWWPWLNGNCL-VWLOTQADSA-N 2 1 541.696 3.659 50 0 KHAAMP C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000101370936 1066194876 /nfs/dbraw/zinc/19/48/76/1066194876.db2.gz DYOCWWPWLNGNCL-RUZDIDTESA-N 2 1 541.696 3.659 50 0 KHAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[NH+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554835008 /nfs/dbraw/zinc/83/50/08/554835008.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 2 1 556.711 3.928 50 0 KHAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[NH+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554835007 /nfs/dbraw/zinc/83/50/07/554835007.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 2 1 556.711 3.928 50 0 KHAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554835005 /nfs/dbraw/zinc/83/50/05/554835005.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 2 1 556.711 3.928 50 0 KHAAMP COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554835003 /nfs/dbraw/zinc/83/50/03/554835003.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 2 1 556.711 3.928 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C2)cc1OC ZINC000101931261 554851773 /nfs/dbraw/zinc/85/17/73/554851773.db2.gz ODIZCMCYSQTDCL-ZRRKCSAHSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C2)cc1OC ZINC000101931261 554851769 /nfs/dbraw/zinc/85/17/69/554851769.db2.gz ODIZCMCYSQTDCL-ZRRKCSAHSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@H]3CCC[NH+]3C)C2)cc1OC ZINC000101931261 554851767 /nfs/dbraw/zinc/85/17/67/554851767.db2.gz ODIZCMCYSQTDCL-ZRRKCSAHSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C2)cc1OC ZINC000101931265 554851890 /nfs/dbraw/zinc/85/18/90/554851890.db2.gz ODIZCMCYSQTDCL-REUBFRLUSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(C[NH+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C2)cc1OC ZINC000101931265 554851889 /nfs/dbraw/zinc/85/18/89/554851889.db2.gz ODIZCMCYSQTDCL-REUBFRLUSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C2)cc1OC ZINC000101931265 554851887 /nfs/dbraw/zinc/85/18/87/554851887.db2.gz ODIZCMCYSQTDCL-REUBFRLUSA-N 2 1 548.728 3.870 50 0 KHAAMP COc1ccc(OC)c(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000101993371 554864229 /nfs/dbraw/zinc/86/42/29/554864229.db2.gz ZNDMOSYVQXSXLX-IZLXSDGUSA-N 2 1 556.748 3.817 50 0 KHAAMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc4ccccc43)C2)CC1 ZINC000102084215 554876309 /nfs/dbraw/zinc/87/63/09/554876309.db2.gz OMDJAJTZWXIFCI-PXJZQJOASA-N 2 1 528.697 3.944 50 0 KHAAMP COc1ccccc1N1CCN([C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000102409778 554923287 /nfs/dbraw/zinc/92/32/87/554923287.db2.gz FVSXBXMDLDFVMO-URLMMPGGSA-N 2 1 533.761 3.652 50 0 KHAAMP COc1ccccc1N1CCN([C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000102409778 554923284 /nfs/dbraw/zinc/92/32/84/554923284.db2.gz FVSXBXMDLDFVMO-URLMMPGGSA-N 2 1 533.761 3.652 50 0 KHAAMP COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCC[NH+](C)CC2)CC1 ZINC000102409778 554923281 /nfs/dbraw/zinc/92/32/81/554923281.db2.gz FVSXBXMDLDFVMO-URLMMPGGSA-N 2 1 533.761 3.652 50 0 KHAAMP COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCC[NH+]3CCOCC3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102420437 554925417 /nfs/dbraw/zinc/92/54/17/554925417.db2.gz HKXUIYJDINQPEG-LBNVMWSVSA-N 2 1 551.728 3.548 50 0 KHAAMP COc1ccc(C[N@H+]2C[C@H](C(=O)NCCC[NH+]3CCOCC3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102420437 554925416 /nfs/dbraw/zinc/92/54/16/554925416.db2.gz HKXUIYJDINQPEG-LBNVMWSVSA-N 2 1 551.728 3.548 50 0 KHAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000102428682 554926270 /nfs/dbraw/zinc/92/62/70/554926270.db2.gz JWUVILRUUQKMIN-XZOQPEGZSA-N 2 1 535.607 3.767 50 0 KHAAMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000102428682 554926269 /nfs/dbraw/zinc/92/62/69/554926269.db2.gz JWUVILRUUQKMIN-XZOQPEGZSA-N 2 1 535.607 3.767 50 0 KHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102534309 554954977 /nfs/dbraw/zinc/95/49/77/554954977.db2.gz YTEUIQHVEGMODO-ZRRKCSAHSA-N 2 1 548.728 3.870 50 0 KHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[NH+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102534314 554955130 /nfs/dbraw/zinc/95/51/30/554955130.db2.gz YTEUIQHVEGMODO-REUBFRLUSA-N 2 1 548.728 3.870 50 0 KHAAMP CCn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000102634404 554990344 /nfs/dbraw/zinc/99/03/44/554990344.db2.gz TWYSOFFZVXEHGD-UHFFFAOYSA-N 2 1 540.668 3.931 50 0 KHAAMP CCn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000102634404 554990342 /nfs/dbraw/zinc/99/03/42/554990342.db2.gz TWYSOFFZVXEHGD-UHFFFAOYSA-N 2 1 540.668 3.931 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000102634420 554990536 /nfs/dbraw/zinc/99/05/36/554990536.db2.gz NTKZDVNQRIQLOZ-UHFFFAOYSA-N 2 1 586.712 3.864 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000102634420 554990534 /nfs/dbraw/zinc/99/05/34/554990534.db2.gz NTKZDVNQRIQLOZ-UHFFFAOYSA-N 2 1 586.712 3.864 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000102634435 554990435 /nfs/dbraw/zinc/99/04/35/554990435.db2.gz HLSMGPKKWKTEAP-UHFFFAOYSA-N 2 1 586.712 3.864 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000102634435 554990432 /nfs/dbraw/zinc/99/04/32/554990432.db2.gz HLSMGPKKWKTEAP-UHFFFAOYSA-N 2 1 586.712 3.864 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](CCc4ccc(OC)cc4)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000102634448 554990383 /nfs/dbraw/zinc/99/03/83/554990383.db2.gz CQCHTAVPAHKIPL-UHFFFAOYSA-N 2 1 612.775 3.776 50 0 KHAAMP CCn1c2c(C(=O)NCC3CC[NH+](CCc4ccc(OC)cc4)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000102634448 554990378 /nfs/dbraw/zinc/99/03/78/554990378.db2.gz CQCHTAVPAHKIPL-UHFFFAOYSA-N 2 1 612.775 3.776 50 0 KHAAMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000102652128 1066209812 /nfs/dbraw/zinc/20/98/12/1066209812.db2.gz UOVVKKMOFSCAHP-XNMCCTNNSA-N 2 1 562.755 3.792 50 0 KHAAMP C[NH+]1CCCN(C(=O)CC[C@H]2C[N@H+](C3Cc4ccccc4C3)CC[C@H]2N2CCN(c3ccccc3F)CC2)CC1 ZINC000102710961 555016816 /nfs/dbraw/zinc/01/68/16/555016816.db2.gz FJPDGNLVUBEKST-QCENPCRXSA-N 2 1 547.763 3.750 50 0 KHAAMP C[NH+]1CCCN(C(=O)CC[C@H]2C[N@@H+](C3Cc4ccccc4C3)CC[C@H]2N2CCN(c3ccccc3F)CC2)CC1 ZINC000102710961 555016814 /nfs/dbraw/zinc/01/68/14/555016814.db2.gz FJPDGNLVUBEKST-QCENPCRXSA-N 2 1 547.763 3.750 50 0 KHAAMP C[N@H+]1CCCN(C(=O)CC[C@H]2C[NH+](C3Cc4ccccc4C3)CC[C@H]2N2CCN(c3ccccc3F)CC2)CC1 ZINC000102710961 555016813 /nfs/dbraw/zinc/01/68/13/555016813.db2.gz FJPDGNLVUBEKST-QCENPCRXSA-N 2 1 547.763 3.750 50 0 KHAAMP O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000103978753 1066318804 /nfs/dbraw/zinc/31/88/04/1066318804.db2.gz NTABIFJFULKRAX-RRPNLBNLSA-N 2 1 532.660 3.894 50 0 KHAAMP O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000103978753 1066318787 /nfs/dbraw/zinc/31/87/87/1066318787.db2.gz NTABIFJFULKRAX-RRPNLBNLSA-N 2 1 532.660 3.894 50 0 KHAAMP O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000104919483 571387578 /nfs/dbraw/zinc/38/75/78/571387578.db2.gz RRAYKOGQUHMMIC-AOYPEHQESA-N 2 1 534.598 3.546 50 0 KHAAMP O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919483 571387577 /nfs/dbraw/zinc/38/75/77/571387577.db2.gz RRAYKOGQUHMMIC-AOYPEHQESA-N 2 1 534.598 3.546 50 0 KHAAMP O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000104919485 571387463 /nfs/dbraw/zinc/38/74/63/571387463.db2.gz RRAYKOGQUHMMIC-AZGAKELHSA-N 2 1 534.598 3.546 50 0 KHAAMP O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919485 571387461 /nfs/dbraw/zinc/38/74/61/571387461.db2.gz RRAYKOGQUHMMIC-AZGAKELHSA-N 2 1 534.598 3.546 50 0 KHAAMP Cc1cccc(C[N@@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCC[NH+]2CCCC2)C[C@@H]2CCCO2)c1 ZINC000105044996 571390328 /nfs/dbraw/zinc/39/03/28/571390328.db2.gz UQHNWNUVIVLZOR-RPLLCQBOSA-N 2 1 501.618 3.914 50 0 KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169289779 562851755 /nfs/dbraw/zinc/85/17/55/562851755.db2.gz JXLYSJRDGCGARV-CRUUYHEXSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169289779 562851754 /nfs/dbraw/zinc/85/17/54/562851754.db2.gz JXLYSJRDGCGARV-CRUUYHEXSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169289779 562851753 /nfs/dbraw/zinc/85/17/53/562851753.db2.gz JXLYSJRDGCGARV-CRUUYHEXSA-N 2 1 810.989 3.991 50 0 KHAAMP O=C(NCC[NH+]1CCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677244 571554851 /nfs/dbraw/zinc/55/48/51/571554851.db2.gz PQZBCIJUUFDXPQ-RSXGOPAZSA-N 2 1 516.608 3.659 50 0 KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000242543346 572197857 /nfs/dbraw/zinc/19/78/57/572197857.db2.gz JXLYSJRDGCGARV-VQYNDOGZSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000242543346 572197851 /nfs/dbraw/zinc/19/78/51/572197851.db2.gz JXLYSJRDGCGARV-VQYNDOGZSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000242543346 572197847 /nfs/dbraw/zinc/19/78/47/572197847.db2.gz JXLYSJRDGCGARV-VQYNDOGZSA-N 2 1 810.989 3.991 50 0 KHAAMP Cc1cccc(C[N@@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCC[NH+]2CCCC2)C[C@H]2CCCO2)c1 ZINC000245280853 572224503 /nfs/dbraw/zinc/22/45/03/572224503.db2.gz UQHNWNUVIVLZOR-SHQCIBLASA-N 2 1 501.618 3.914 50 0 KHAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000245343516 572239059 /nfs/dbraw/zinc/23/90/59/572239059.db2.gz QSTMPOJKYWVMPT-AMGIVPHBSA-N 2 1 519.130 3.803 50 0 KHAAMP CCOC(=O)C1=C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)NC(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)=C(C(=O)OCC)C1c1ccccc1 ZINC000252470043 572261489 /nfs/dbraw/zinc/26/14/89/572261489.db2.gz REVLNVASBNRPMS-BETQZWDCSA-N 2 1 705.856 3.570 50 0 KHAAMP CCOC(=O)C1=C(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)NC(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)=C(C(=O)OCC)C1c1ccccc1 ZINC000252470043 572261487 /nfs/dbraw/zinc/26/14/87/572261487.db2.gz REVLNVASBNRPMS-BETQZWDCSA-N 2 1 705.856 3.570 50 0 KHAAMP CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000252585621 572264779 /nfs/dbraw/zinc/26/47/79/572264779.db2.gz JXLYSJRDGCGARV-JVZLHVILSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[N@H+]3CC[C@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000252585621 572264777 /nfs/dbraw/zinc/26/47/77/572264777.db2.gz JXLYSJRDGCGARV-JVZLHVILSA-N 2 1 810.989 3.991 50 0 KHAAMP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000252585621 572264776 /nfs/dbraw/zinc/26/47/76/572264776.db2.gz JXLYSJRDGCGARV-JVZLHVILSA-N 2 1 810.989 3.991 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CC[NH+](C2CCCC2)CC1 ZINC000257182849 1066295379 /nfs/dbraw/zinc/29/53/79/1066295379.db2.gz GXPJFYHYJITORL-JGOFXRRVSA-N 2 1 507.723 3.654 50 0 KHAAMP Cc1nn(C)c(C)c1CCN(C)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1cccnc1)[C@@H]23 ZINC000257184320 1066295197 /nfs/dbraw/zinc/29/51/97/1066295197.db2.gz IKKDOSSVXFVMIG-UKRRFPHRSA-N 2 1 506.739 3.978 50 0 KHAAMP Cc1nn(C)c(C)c1CCN(C)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1cccnc1)[C@@H]23 ZINC000257184320 1066295181 /nfs/dbraw/zinc/29/51/81/1066295181.db2.gz IKKDOSSVXFVMIG-UKRRFPHRSA-N 2 1 506.739 3.978 50 0 KHAAMP Cc1nn(C)c(C)c1CCN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23 ZINC000257184320 1066295165 /nfs/dbraw/zinc/29/51/65/1066295165.db2.gz IKKDOSSVXFVMIG-UKRRFPHRSA-N 2 1 506.739 3.978 50 0 KHAAMP C[NH+]1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](C[N@H+]3Cc3ccccc3)[C@@H]45)CC2)CC1 ZINC000257185117 1066295983 /nfs/dbraw/zinc/29/59/83/1066295983.db2.gz JEIHPTWAUNCROW-HYUUEHCLSA-N 2 1 521.794 3.770 50 0 KHAAMP C[NH+]1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](C[N@@H+]3Cc3ccccc3)[C@@H]45)CC2)CC1 ZINC000257185117 1066295955 /nfs/dbraw/zinc/29/59/55/1066295955.db2.gz JEIHPTWAUNCROW-HYUUEHCLSA-N 2 1 521.794 3.770 50 0 KHAAMP C[NH+]1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCC[NH+]5CCC[C@@H](C[N@H+]3Cc3ccccc3)[C@@H]45)CC2)CC1 ZINC000257185117 1066295938 /nfs/dbraw/zinc/29/59/38/1066295938.db2.gz JEIHPTWAUNCROW-HYUUEHCLSA-N 3 1 521.794 3.770 50 0 KHAAMP C[NH+]1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCC[NH+]5CCC[C@@H](C[N@@H+]3Cc3ccccc3)[C@@H]45)CC2)CC1 ZINC000257185117 1066295920 /nfs/dbraw/zinc/29/59/20/1066295920.db2.gz JEIHPTWAUNCROW-HYUUEHCLSA-N 3 1 521.794 3.770 50 0 KHAAMP C[NH+]1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCC[N@H+]5CCC[C@@H](C[NH+]3Cc3ccccc3)[C@@H]45)CC2)CC1 ZINC000257185117 1066295905 /nfs/dbraw/zinc/29/59/05/1066295905.db2.gz JEIHPTWAUNCROW-HYUUEHCLSA-N 3 1 521.794 3.770 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NCCC[NH+]1CCCCCC1 ZINC000257186782 1066296009 /nfs/dbraw/zinc/29/60/09/1066296009.db2.gz KTFUUISSSYOMPX-ODNCNNFYSA-N 2 1 509.739 3.949 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1cccnc1)[C@@H]23)N1CCN(c2ccccn2)CC1 ZINC000257186917 1066295717 /nfs/dbraw/zinc/29/57/17/1066295717.db2.gz KYQDALDFUQMKJQ-TXQUNOLYSA-N 2 1 502.707 3.671 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1cccnc1)[C@@H]23)N1CCN(c2ccccn2)CC1 ZINC000257186917 1066295692 /nfs/dbraw/zinc/29/56/92/1066295692.db2.gz KYQDALDFUQMKJQ-TXQUNOLYSA-N 2 1 502.707 3.671 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23)N1CCN(c2ccccn2)CC1 ZINC000257186917 1066295681 /nfs/dbraw/zinc/29/56/81/1066295681.db2.gz KYQDALDFUQMKJQ-TXQUNOLYSA-N 2 1 502.707 3.671 50 0 KHAAMP CC[NH+]1CCC(CCNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)CC1 ZINC000257191082 1066498191 /nfs/dbraw/zinc/49/81/91/1066498191.db2.gz PISNKTFHRLUQLD-ODNCNNFYSA-N 2 1 509.739 3.805 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CC[NH+](Cc2ccccc2)CC1 ZINC000257194041 1066296569 /nfs/dbraw/zinc/29/65/69/1066296569.db2.gz SKLDUKWFHQTWPR-MLSIGSLTSA-N 2 1 529.729 3.911 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CC[NH+](Cc2ccccc2)CC1 ZINC000257194041 1066296563 /nfs/dbraw/zinc/29/65/63/1066296563.db2.gz SKLDUKWFHQTWPR-MLSIGSLTSA-N 2 1 529.729 3.911 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CCN(Cc2ccccc2)CC1 ZINC000257194041 1066296545 /nfs/dbraw/zinc/29/65/45/1066296545.db2.gz SKLDUKWFHQTWPR-MLSIGSLTSA-N 2 1 529.729 3.911 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23)N1CCN(c2ncccn2)CC1 ZINC000257194298 1066296816 /nfs/dbraw/zinc/29/68/16/1066296816.db2.gz SZWUWLNZVULMDX-ODNCNNFYSA-N 2 1 502.707 3.671 50 0 KHAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)N1CCN(c2ncccn2)CC1 ZINC000257194298 1066296810 /nfs/dbraw/zinc/29/68/10/1066296810.db2.gz SZWUWLNZVULMDX-ODNCNNFYSA-N 2 1 502.707 3.671 50 0 KHAAMP C[NH+](CCNC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)C1CCCCC1 ZINC000257196188 1066297090 /nfs/dbraw/zinc/29/70/90/1066297090.db2.gz XTPDZDKBTKFPCC-JGOFXRRVSA-N 2 1 509.739 3.948 50 0 KHAAMP C[NH+](CCNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)C1CCCCC1 ZINC000257196188 1066297079 /nfs/dbraw/zinc/29/70/79/1066297079.db2.gz XTPDZDKBTKFPCC-JGOFXRRVSA-N 2 1 509.739 3.948 50 0 KHAAMP C[N@@H+](CCNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)C1CCCCC1 ZINC000257196188 1066297063 /nfs/dbraw/zinc/29/70/63/1066297063.db2.gz XTPDZDKBTKFPCC-JGOFXRRVSA-N 2 1 509.739 3.948 50 0 KHAAMP O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000299783585 1066319756 /nfs/dbraw/zinc/31/97/56/1066319756.db2.gz WUKKZYQNBGDBCE-IHLOFXLRSA-N 2 1 540.708 3.971 50 0 KHAAMP O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1C1Cc2ccccc2C1 ZINC000299798311 1066319811 /nfs/dbraw/zinc/31/98/11/1066319811.db2.gz QTUJXAOGVKECSA-SMCANUKXSA-N 2 1 509.698 3.562 50 0 KHAAMP COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1ccccc1OCC[NH+]1CCCCC1)CCCNC(=O)CC2 ZINC000952856939 1066518596 /nfs/dbraw/zinc/51/85/96/1066518596.db2.gz OLPAMNKYRPJJSE-LJAQVGFWSA-N 2 1 665.876 3.637 50 0 KHAAMP