smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298889743 1064699226 /nfs/dbraw/zinc/69/92/26/1064699226.db2.gz WDLOZORWFIZDQM-FQEVSTJZSA-N 1 3 487.718 3.311 20 0 JGADHO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298889743 1064699232 /nfs/dbraw/zinc/69/92/32/1064699232.db2.gz WDLOZORWFIZDQM-FQEVSTJZSA-N 1 3 487.718 3.311 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001299855104 1065063454 /nfs/dbraw/zinc/06/34/54/1065063454.db2.gz KKYPPEDCMDMRES-NRFANRHFSA-N 1 3 457.537 3.321 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C3CCCC3)CC2)n1CCOCC[NH+](C)C ZINC001299908986 1065154852 /nfs/dbraw/zinc/15/48/52/1065154852.db2.gz KPBOYUQBTLGZMG-UHFFFAOYSA-N 1 3 477.053 3.250 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301708299 1066599970 /nfs/dbraw/zinc/59/99/70/1066599970.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 1 3 487.737 3.075 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301708299 1066599978 /nfs/dbraw/zinc/59/99/78/1066599978.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 1 3 487.737 3.075 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001301735557 1066657387 /nfs/dbraw/zinc/65/73/87/1066657387.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301735557 1066657391 /nfs/dbraw/zinc/65/73/91/1066657391.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301735797 1066658006 /nfs/dbraw/zinc/65/80/06/1066658006.db2.gz DTSOZDNANUFHBO-UHFFFAOYSA-N 1 3 460.692 3.209 20 0 JGADHO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900104 1066924787 /nfs/dbraw/zinc/92/47/87/1066924787.db2.gz XBDMIUOTFOXQMM-AVRDEDQJSA-N 1 3 472.037 3.386 20 0 JGADHO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900104 1066924794 /nfs/dbraw/zinc/92/47/94/1066924794.db2.gz XBDMIUOTFOXQMM-AVRDEDQJSA-N 1 3 472.037 3.386 20 0 JGADHO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295334 /nfs/dbraw/zinc/29/53/34/1067295334.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 1 3 481.689 3.057 20 0 JGADHO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295340 /nfs/dbraw/zinc/29/53/40/1067295340.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 1 3 481.689 3.057 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560354 1067629934 /nfs/dbraw/zinc/62/99/34/1067629934.db2.gz UFGSSGQWCZBYGE-RUZDIDTESA-N 1 3 495.716 3.039 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303195848 1067729168 /nfs/dbraw/zinc/72/91/68/1067729168.db2.gz DKFAQOFRPGTJEX-HSZRJFAPSA-N 1 3 475.081 3.147 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303195848 1067729169 /nfs/dbraw/zinc/72/91/69/1067729169.db2.gz DKFAQOFRPGTJEX-HSZRJFAPSA-N 1 3 475.081 3.147 20 0 JGADHO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303268499 1067796383 /nfs/dbraw/zinc/79/63/83/1067796383.db2.gz HYJUMLGFINOJAO-UHFFFAOYSA-N 1 3 464.456 3.441 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303268499 1067796389 /nfs/dbraw/zinc/79/63/89/1067796389.db2.gz HYJUMLGFINOJAO-UHFFFAOYSA-N 1 3 464.456 3.441 20 0 JGADHO CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303269233 1067797735 /nfs/dbraw/zinc/79/77/35/1067797735.db2.gz UXYOLTOQNCSEOP-IBGZPJMESA-N 1 3 491.478 3.206 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303269233 1067797739 /nfs/dbraw/zinc/79/77/39/1067797739.db2.gz UXYOLTOQNCSEOP-IBGZPJMESA-N 1 3 491.478 3.206 20 0 JGADHO CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303269234 1067797779 /nfs/dbraw/zinc/79/77/79/1067797779.db2.gz UXYOLTOQNCSEOP-LJQANCHMSA-N 1 3 491.478 3.206 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303269234 1067797787 /nfs/dbraw/zinc/79/77/87/1067797787.db2.gz UXYOLTOQNCSEOP-LJQANCHMSA-N 1 3 491.478 3.206 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001304754024 1067835765 /nfs/dbraw/zinc/83/57/65/1067835765.db2.gz IVIOSJUMVZHEOE-DEOSSOPVSA-N 1 3 464.662 3.409 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001303317723 1067847010 /nfs/dbraw/zinc/84/70/10/1067847010.db2.gz BRJDFOHRCOYPFY-DNQXCXABSA-N 1 3 475.726 3.243 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317931 1067847549 /nfs/dbraw/zinc/84/75/49/1067847549.db2.gz FQLSZEOCOOHOMP-QFIPXVFZSA-N 1 3 473.735 3.123 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303366208 1067894437 /nfs/dbraw/zinc/89/44/37/1067894437.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 1 3 461.699 3.093 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303366208 1067894449 /nfs/dbraw/zinc/89/44/49/1067894449.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 1 3 461.699 3.093 20 0 JGADHO Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001304861175 1067910421 /nfs/dbraw/zinc/91/04/21/1067910421.db2.gz SPTZFHQVQOHRQJ-JOCHJYFZSA-N 1 3 453.679 3.355 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC001303463698 1067983042 /nfs/dbraw/zinc/98/30/42/1067983042.db2.gz WVYXHRQAEHIMCJ-OAQYLSRUSA-N 1 3 490.656 3.413 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303464499 1067983513 /nfs/dbraw/zinc/98/35/13/1067983513.db2.gz JRPDXSWNNCAGSE-QFIPXVFZSA-N 1 3 454.598 3.087 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303503572 1068035120 /nfs/dbraw/zinc/03/51/20/1068035120.db2.gz SPLZRRQORPKQCH-VWLOTQADSA-N 1 3 462.683 3.114 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503572 1068035128 /nfs/dbraw/zinc/03/51/28/1068035128.db2.gz SPLZRRQORPKQCH-VWLOTQADSA-N 1 3 462.683 3.114 20 0 JGADHO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015476 1068058083 /nfs/dbraw/zinc/05/80/83/1068058083.db2.gz JQMPQBXCQOOZDA-NHCUHLMSSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015476 1068058094 /nfs/dbraw/zinc/05/80/94/1068058094.db2.gz JQMPQBXCQOOZDA-NHCUHLMSSA-N 1 3 459.683 3.052 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305043551 1068099857 /nfs/dbraw/zinc/09/98/57/1068099857.db2.gz SJCOIGLKGQFRFM-JOCHJYFZSA-N 1 3 473.710 3.383 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305043551 1068099868 /nfs/dbraw/zinc/09/98/68/1068099868.db2.gz SJCOIGLKGQFRFM-JOCHJYFZSA-N 1 3 473.710 3.383 20 0 JGADHO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001303719205 1068268055 /nfs/dbraw/zinc/26/80/55/1068268055.db2.gz SVUBAWVIEOXACN-UXHICEINSA-N 1 3 477.698 3.263 20 0 JGADHO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734429 1068290752 /nfs/dbraw/zinc/29/07/52/1068290752.db2.gz INZADYZCQDIKAZ-YADHBBJMSA-N 1 3 454.663 3.093 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458108 1068699792 /nfs/dbraw/zinc/69/97/92/1068699792.db2.gz MKDWWOVXOGWGRZ-GOTSBHOMSA-N 1 3 489.753 3.286 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305520222 1068771426 /nfs/dbraw/zinc/77/14/26/1068771426.db2.gz UOIIELMSQHTTPS-NZQKXSOJSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305520222 1068771433 /nfs/dbraw/zinc/77/14/33/1068771433.db2.gz UOIIELMSQHTTPS-NZQKXSOJSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305544140 1068819232 /nfs/dbraw/zinc/81/92/32/1068819232.db2.gz YTWMZZQITFJTLC-YADHBBJMSA-N 1 3 473.735 3.449 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001305602568 1068866528 /nfs/dbraw/zinc/86/65/28/1068866528.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 1 3 490.656 3.368 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001305602568 1068866550 /nfs/dbraw/zinc/86/65/50/1068866550.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 1 3 490.656 3.368 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305607846 1068877186 /nfs/dbraw/zinc/87/71/86/1068877186.db2.gz ZLWWDPSAGAZHBJ-HXUWFJFHSA-N 1 3 468.650 3.110 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305607846 1068877191 /nfs/dbraw/zinc/87/71/91/1068877191.db2.gz ZLWWDPSAGAZHBJ-HXUWFJFHSA-N 1 3 468.650 3.110 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305608880 1068879597 /nfs/dbraw/zinc/87/95/97/1068879597.db2.gz VBCQRIBKTUEYJH-FQEVSTJZSA-N 1 3 488.080 3.073 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305608880 1068879608 /nfs/dbraw/zinc/87/96/08/1068879608.db2.gz VBCQRIBKTUEYJH-FQEVSTJZSA-N 1 3 488.080 3.073 20 0 JGADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022800 /nfs/dbraw/zinc/02/28/00/1069022800.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 1 3 495.716 3.293 20 0 JGADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022812 /nfs/dbraw/zinc/02/28/12/1069022812.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 1 3 495.716 3.293 20 0 JGADHO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001305706719 1069096375 /nfs/dbraw/zinc/09/63/75/1069096375.db2.gz OTAOUYGMSLFUBH-QFIPXVFZSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738050 1069161606 /nfs/dbraw/zinc/16/16/06/1069161606.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738050 1069161613 /nfs/dbraw/zinc/16/16/13/1069161613.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744085 1069182520 /nfs/dbraw/zinc/18/25/20/1069182520.db2.gz ZTSHTHPOKHEVMM-LEWJYISDSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305778283 1069265572 /nfs/dbraw/zinc/26/55/72/1069265572.db2.gz AOZVDCYRXYBBMY-HXUWFJFHSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305778283 1069265582 /nfs/dbraw/zinc/26/55/82/1069265582.db2.gz AOZVDCYRXYBBMY-HXUWFJFHSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001305786326 1069290167 /nfs/dbraw/zinc/29/01/67/1069290167.db2.gz UURJUUOWQJGWJY-UHFFFAOYSA-N 1 3 459.683 3.137 20 0 JGADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681393 719658530 /nfs/dbraw/zinc/65/85/30/719658530.db2.gz NNHBVHZKKTZYHU-QFIPXVFZSA-N 1 3 476.669 3.479 20 0 JGADHO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)N1CCCC1 ZINC001305815974 1069349384 /nfs/dbraw/zinc/34/93/84/1069349384.db2.gz QRZUIRFKNYATBR-JOCHJYFZSA-N 1 3 488.702 3.190 20 0 JGADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920513 1069475830 /nfs/dbraw/zinc/47/58/30/1069475830.db2.gz SGVYRSSJRPIJDW-XMMPIXPASA-N 1 3 454.663 3.254 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC[N@H+](C)C(C)C ZINC001299908735 1065153450 /nfs/dbraw/zinc/15/34/50/1065153450.db2.gz ATEXPGVQHPNUFX-LJQANCHMSA-N 1 3 477.053 3.106 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299908735 1065153455 /nfs/dbraw/zinc/15/34/55/1065153455.db2.gz ATEXPGVQHPNUFX-LJQANCHMSA-N 1 3 477.053 3.106 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302078694 1066492155 /nfs/dbraw/zinc/49/21/55/1066492155.db2.gz LRRWTRLAQKCEGK-NHCUHLMSSA-N 1 3 450.672 3.045 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302201707 1066696787 /nfs/dbraw/zinc/69/67/87/1066696787.db2.gz ASDHZAJEUHNSJL-FQEVSTJZSA-N 1 3 490.643 3.305 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302201707 1066696791 /nfs/dbraw/zinc/69/67/91/1066696791.db2.gz ASDHZAJEUHNSJL-FQEVSTJZSA-N 1 3 490.643 3.305 20 0 JGADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304029757 1067077623 /nfs/dbraw/zinc/07/76/23/1067077623.db2.gz MLASYWAQFDMJPX-YMPZKCBVSA-N 1 3 470.662 3.144 20 0 JGADHO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295156 /nfs/dbraw/zinc/29/51/56/1067295156.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 1 3 481.689 3.057 20 0 JGADHO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295163 /nfs/dbraw/zinc/29/51/63/1067295163.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 1 3 481.689 3.057 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560355 1067629896 /nfs/dbraw/zinc/62/98/96/1067629896.db2.gz UFGSSGQWCZBYGE-VWLOTQADSA-N 1 3 495.716 3.039 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001303185149 1067719566 /nfs/dbraw/zinc/71/95/66/1067719566.db2.gz UQHYOYIVSFNPRD-ZEVJAHDQSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303185149 1067719575 /nfs/dbraw/zinc/71/95/75/1067719575.db2.gz UQHYOYIVSFNPRD-ZEVJAHDQSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303188713 1067722647 /nfs/dbraw/zinc/72/26/47/1067722647.db2.gz HGDRFMPETDQGKY-QFIPXVFZSA-N 1 3 464.662 3.367 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303188713 1067722655 /nfs/dbraw/zinc/72/26/55/1067722655.db2.gz HGDRFMPETDQGKY-QFIPXVFZSA-N 1 3 464.662 3.367 20 0 JGADHO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807302 /nfs/dbraw/zinc/80/73/02/1067807302.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 1 3 474.625 3.026 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807317 /nfs/dbraw/zinc/80/73/17/1067807317.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 1 3 474.625 3.026 20 0 JGADHO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001303290874 1067814812 /nfs/dbraw/zinc/81/48/12/1067814812.db2.gz GLRFWSHIJANHSJ-UHFFFAOYSA-N 1 3 469.678 3.398 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304759643 1067845226 /nfs/dbraw/zinc/84/52/26/1067845226.db2.gz KYPYQIFOXBBJOW-NHCUHLMSSA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304759646 1067845673 /nfs/dbraw/zinc/84/56/73/1067845673.db2.gz KYPYQIFOXBBJOW-SFTDATJTSA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304762922 1067850524 /nfs/dbraw/zinc/85/05/24/1067850524.db2.gz HDIVKUHHZBPTIV-OAQYLSRUSA-N 1 3 470.710 3.430 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304762922 1067850533 /nfs/dbraw/zinc/85/05/33/1067850533.db2.gz HDIVKUHHZBPTIV-OAQYLSRUSA-N 1 3 470.710 3.430 20 0 JGADHO Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001304860081 1067910075 /nfs/dbraw/zinc/91/00/75/1067910075.db2.gz MBONVDXHMBMJEC-UHFFFAOYSA-N 1 3 453.679 3.357 20 0 JGADHO C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982385 1068023529 /nfs/dbraw/zinc/02/35/29/1068023529.db2.gz AHHSFMWPHBMMAK-AMGIVPHBSA-N 1 3 487.737 3.122 20 0 JGADHO C[C@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982389 1068023694 /nfs/dbraw/zinc/02/36/94/1068023694.db2.gz AHHSFMWPHBMMAK-WXVAWEFUSA-N 1 3 487.737 3.122 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503272 1068034393 /nfs/dbraw/zinc/03/43/93/1068034393.db2.gz BZSDCSBYTOKMEF-HFZDXXHNSA-N 1 3 476.710 3.360 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503272 1068034403 /nfs/dbraw/zinc/03/44/03/1068034403.db2.gz BZSDCSBYTOKMEF-HFZDXXHNSA-N 1 3 476.710 3.360 20 0 JGADHO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112212 1068186003 /nfs/dbraw/zinc/18/60/03/1068186003.db2.gz KHSIHIKOMMXHPV-BDTNDASRSA-N 1 3 476.710 3.012 20 0 JGADHO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112212 1068186006 /nfs/dbraw/zinc/18/60/06/1068186006.db2.gz KHSIHIKOMMXHPV-BDTNDASRSA-N 1 3 476.710 3.012 20 0 JGADHO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303663718 1068195636 /nfs/dbraw/zinc/19/56/36/1068195636.db2.gz OQFBCWJWIBNLKQ-QFIPXVFZSA-N 1 3 481.689 3.345 20 0 JGADHO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303663718 1068195641 /nfs/dbraw/zinc/19/56/41/1068195641.db2.gz OQFBCWJWIBNLKQ-QFIPXVFZSA-N 1 3 481.689 3.345 20 0 JGADHO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CN2CCOCC2)CC1)[NH+](C)C ZINC001303692281 1068233447 /nfs/dbraw/zinc/23/34/47/1068233447.db2.gz UHXDXCYTTRHSCZ-SFHVURJKSA-N 1 3 491.478 3.206 20 0 JGADHO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001303719206 1068267916 /nfs/dbraw/zinc/26/79/16/1068267916.db2.gz SVUBAWVIEOXACN-VQTJNVASSA-N 1 3 477.698 3.263 20 0 JGADHO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001303719204 1068267930 /nfs/dbraw/zinc/26/79/30/1068267930.db2.gz SVUBAWVIEOXACN-PMACEKPBSA-N 1 3 477.698 3.263 20 0 JGADHO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1)[NH+](C)C ZINC001303895886 1068534464 /nfs/dbraw/zinc/53/44/64/1068534464.db2.gz TZYKYLWSONMSQK-UXHICEINSA-N 1 3 474.625 3.056 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512605 1068755377 /nfs/dbraw/zinc/75/53/77/1068755377.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512605 1068755389 /nfs/dbraw/zinc/75/53/89/1068755389.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001305602569 1068866024 /nfs/dbraw/zinc/86/60/24/1068866024.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 1 3 490.656 3.368 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001305602569 1068866044 /nfs/dbraw/zinc/86/60/44/1068866044.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 1 3 490.656 3.368 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305609215 1068881329 /nfs/dbraw/zinc/88/13/29/1068881329.db2.gz SAEYSRSRYHONGA-UPVQGACJSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305609215 1068881335 /nfs/dbraw/zinc/88/13/35/1068881335.db2.gz SAEYSRSRYHONGA-UPVQGACJSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305616384 1068895691 /nfs/dbraw/zinc/89/56/91/1068895691.db2.gz AKFFKGIQEAESQV-HXUWFJFHSA-N 1 3 458.626 3.039 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305616384 1068895703 /nfs/dbraw/zinc/89/57/03/1068895703.db2.gz AKFFKGIQEAESQV-HXUWFJFHSA-N 1 3 458.626 3.039 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305616383 1068896091 /nfs/dbraw/zinc/89/60/91/1068896091.db2.gz AKFFKGIQEAESQV-FQEVSTJZSA-N 1 3 458.626 3.039 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305616383 1068896098 /nfs/dbraw/zinc/89/60/98/1068896098.db2.gz AKFFKGIQEAESQV-FQEVSTJZSA-N 1 3 458.626 3.039 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCCN1CC ZINC001305769528 1069244568 /nfs/dbraw/zinc/24/45/68/1069244568.db2.gz HDTWQYDOBBCNGB-FCHUYYIVSA-N 1 3 459.683 3.136 20 0 JGADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c21 ZINC001164406947 718863518 /nfs/dbraw/zinc/86/35/18/718863518.db2.gz HXRVJIWCZRSIEA-FPOVZHCZSA-N 1 3 483.012 3.211 20 0 JGADHO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1 ZINC001164783170 721373179 /nfs/dbraw/zinc/37/31/79/721373179.db2.gz NUYVPNMKUMMSHF-SANMLTNESA-N 1 3 469.630 3.278 20 0 JGADHO CC[C@H](Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851277 1069405384 /nfs/dbraw/zinc/40/53/84/1069405384.db2.gz ZSHJOYUFQVIXOH-BWKNWUBXSA-N 1 3 462.683 3.114 20 0 JGADHO CN1CCCC(C)(C)[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885134 1064691016 /nfs/dbraw/zinc/69/10/16/1064691016.db2.gz GYYPHZHXOHTDFU-NRFANRHFSA-N 1 3 473.710 3.193 20 0 JGADHO COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299858515 1065071282 /nfs/dbraw/zinc/07/12/82/1065071282.db2.gz PPFGMXYZGYPABL-HXUWFJFHSA-N 1 3 486.661 3.232 20 0 JGADHO Cc1ccc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492359252 1065420567 /nfs/dbraw/zinc/42/05/67/1065420567.db2.gz HWJAYQORZVEWRP-ZEQRLZLVSA-N 1 3 483.705 3.029 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302001577 1066335593 /nfs/dbraw/zinc/33/55/93/1066335593.db2.gz TZDOHPZXPALOJT-PJIZGREPSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302001577 1066335615 /nfs/dbraw/zinc/33/56/15/1066335615.db2.gz TZDOHPZXPALOJT-PJIZGREPSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092746 1066520494 /nfs/dbraw/zinc/52/04/94/1066520494.db2.gz JRZULZQUGQIGDG-FCHUYYIVSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302092746 1066520503 /nfs/dbraw/zinc/52/05/03/1066520503.db2.gz JRZULZQUGQIGDG-FCHUYYIVSA-N 1 3 462.683 3.187 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001302202940 1066698590 /nfs/dbraw/zinc/69/85/90/1066698590.db2.gz LNLINDKDBZEZEV-XMMPIXPASA-N 1 3 468.690 3.221 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302202940 1066698597 /nfs/dbraw/zinc/69/85/97/1066698597.db2.gz LNLINDKDBZEZEV-XMMPIXPASA-N 1 3 468.690 3.221 20 0 JGADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302305400 1066894273 /nfs/dbraw/zinc/89/42/73/1066894273.db2.gz OPXRIXIDIAEZLZ-FKBYEOEOSA-N 1 3 462.683 3.043 20 0 JGADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302305400 1066894280 /nfs/dbraw/zinc/89/42/80/1066894280.db2.gz OPXRIXIDIAEZLZ-FKBYEOEOSA-N 1 3 462.683 3.043 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175597 1067224610 /nfs/dbraw/zinc/22/46/10/1067224610.db2.gz VZFJCTMSAAFGHP-VWLOTQADSA-N 1 3 497.732 3.419 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175597 1067224612 /nfs/dbraw/zinc/22/46/12/1067224612.db2.gz VZFJCTMSAAFGHP-VWLOTQADSA-N 1 3 497.732 3.419 20 0 JGADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001302674711 1067300296 /nfs/dbraw/zinc/30/02/96/1067300296.db2.gz UTSVUQYVJYJPAM-HSZRJFAPSA-N 1 3 454.663 3.327 20 0 JGADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302674711 1067300306 /nfs/dbraw/zinc/30/03/06/1067300306.db2.gz UTSVUQYVJYJPAM-HSZRJFAPSA-N 1 3 454.663 3.327 20 0 JGADHO Cc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304313867 1067360761 /nfs/dbraw/zinc/36/07/61/1067360761.db2.gz BBTKSZUUJKGLIF-OAQYLSRUSA-N 1 3 457.667 3.039 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303177519 1067710214 /nfs/dbraw/zinc/71/02/14/1067710214.db2.gz DGNRGGKBKYXFKU-UHFFFAOYSA-N 1 3 488.080 3.124 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001303185165 1067719229 /nfs/dbraw/zinc/71/92/29/1067719229.db2.gz UYINFZFZWDQSLX-LJQANCHMSA-N 1 3 464.456 3.154 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303197542 1067731797 /nfs/dbraw/zinc/73/17/97/1067731797.db2.gz QPJUIUBEIOYRLC-UHFFFAOYSA-N 1 3 475.081 3.411 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303261846 1067788939 /nfs/dbraw/zinc/78/89/39/1067788939.db2.gz YUJWOJSRACBWSY-OAQYLSRUSA-N 1 3 487.718 3.322 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303261846 1067788945 /nfs/dbraw/zinc/78/89/45/1067788945.db2.gz YUJWOJSRACBWSY-OAQYLSRUSA-N 1 3 487.718 3.322 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316610 1067843753 /nfs/dbraw/zinc/84/37/53/1067843753.db2.gz GPFDXQQCEZSHDO-YADHBBJMSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316610 1067843762 /nfs/dbraw/zinc/84/37/62/1067843762.db2.gz GPFDXQQCEZSHDO-YADHBBJMSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303316987 1067844770 /nfs/dbraw/zinc/84/47/70/1067844770.db2.gz MCOCKKVMSPJADF-DNQXCXABSA-N 1 3 489.753 3.001 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304760752 1067847139 /nfs/dbraw/zinc/84/71/39/1067847139.db2.gz SWPWKBLDDKYNKA-UHFFFAOYSA-N 1 3 456.683 3.182 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304760752 1067847146 /nfs/dbraw/zinc/84/71/46/1067847146.db2.gz SWPWKBLDDKYNKA-UHFFFAOYSA-N 1 3 456.683 3.182 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001303318411 1067849813 /nfs/dbraw/zinc/84/98/13/1067849813.db2.gz QYOLAIMFMGEYPQ-HSZRJFAPSA-N 1 3 459.727 3.347 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304762923 1067851045 /nfs/dbraw/zinc/85/10/45/1067851045.db2.gz HGMQDVJXCRKBPX-DEOSSOPVSA-N 1 3 470.710 3.286 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304762923 1067851052 /nfs/dbraw/zinc/85/10/52/1067851052.db2.gz HGMQDVJXCRKBPX-DEOSSOPVSA-N 1 3 470.710 3.286 20 0 JGADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001304825025 1067894060 /nfs/dbraw/zinc/89/40/60/1067894060.db2.gz FPOSOYFRSHOBLS-QPPBQGQZSA-N 1 3 453.679 3.321 20 0 JGADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001304825027 1067894255 /nfs/dbraw/zinc/89/42/55/1067894255.db2.gz FPOSOYFRSHOBLS-XUZZJYLKSA-N 1 3 453.679 3.321 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304978821 1068017368 /nfs/dbraw/zinc/01/73/68/1068017368.db2.gz GZEWNWPAJQBDRN-UHFFFAOYSA-N 1 3 461.699 3.236 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501209 1068028991 /nfs/dbraw/zinc/02/89/91/1068028991.db2.gz GAKJBILCTXZSHF-ATIYNZHBSA-N 1 3 476.710 3.360 20 0 JGADHO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1)[NH+](C)C ZINC001303739355 1068299928 /nfs/dbraw/zinc/29/99/28/1068299928.db2.gz ZCMAIGUULLXHTF-LJQANCHMSA-N 1 3 477.053 3.009 20 0 JGADHO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303926366 1068584365 /nfs/dbraw/zinc/58/43/65/1068584365.db2.gz KNEJLARFQGNOIU-HXUWFJFHSA-N 1 3 488.652 3.325 20 0 JGADHO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932539 1068591652 /nfs/dbraw/zinc/59/16/52/1068591652.db2.gz VTNSEZIYIOJSQH-HSALFYBXSA-N 1 3 474.625 3.197 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001305615350 1068892953 /nfs/dbraw/zinc/89/29/53/1068892953.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001305615350 1068892961 /nfs/dbraw/zinc/89/29/61/1068892961.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001305664139 1069005955 /nfs/dbraw/zinc/00/59/55/1069005955.db2.gz NZEZFPYWGOSNLE-QPPBQGQZSA-N 1 3 454.663 3.319 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCCN1CC ZINC001305769530 1069245131 /nfs/dbraw/zinc/24/51/31/1069245131.db2.gz HDTWQYDOBBCNGB-VXKWHMMOSA-N 1 3 459.683 3.136 20 0 JGADHO CN1CCC(Oc2ccnc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2)CC1 ZINC001164684777 719592708 /nfs/dbraw/zinc/59/27/08/719592708.db2.gz JWJBUAOLJPVWSI-QHCPKHFHSA-N 1 3 470.639 3.282 20 0 JGADHO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4c3CCNC4)CC2)c2ccccc21 ZINC001164682139 719676100 /nfs/dbraw/zinc/67/61/00/719676100.db2.gz PFADPFYBGRZBSV-IBGZPJMESA-N 1 3 482.072 3.474 20 0 JGADHO CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)cc1 ZINC001305921660 1069477387 /nfs/dbraw/zinc/47/73/87/1069477387.db2.gz ZLDWHMHXERLDKO-DEOSSOPVSA-N 1 3 481.689 3.044 20 0 JGADHO C[N@H+](CCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678442 1064467273 /nfs/dbraw/zinc/46/72/73/1064467273.db2.gz BITQPVBEDFFRHK-HSZRJFAPSA-N 1 3 454.663 3.256 20 0 JGADHO C[N@@H+](CCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678442 1064467284 /nfs/dbraw/zinc/46/72/84/1064467284.db2.gz BITQPVBEDFFRHK-HSZRJFAPSA-N 1 3 454.663 3.256 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001492266505 1065362264 /nfs/dbraw/zinc/36/22/64/1065362264.db2.gz NITDZXKJIWRYAJ-HSZRJFAPSA-N 1 3 467.662 3.265 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302083411 1066504522 /nfs/dbraw/zinc/50/45/22/1066504522.db2.gz ZVFUUCBNOJTTTC-FQEVSTJZSA-N 1 3 458.651 3.033 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301708301 1066600619 /nfs/dbraw/zinc/60/06/19/1066600619.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 1 3 487.737 3.075 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301708301 1066600625 /nfs/dbraw/zinc/60/06/25/1066600625.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 1 3 487.737 3.075 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001301735555 1066657417 /nfs/dbraw/zinc/65/74/17/1066657417.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301735555 1066657422 /nfs/dbraw/zinc/65/74/22/1066657422.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301737366 1066659606 /nfs/dbraw/zinc/65/96/06/1066659606.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 1 3 472.678 3.363 20 0 JGADHO COCCN(C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301737366 1066659611 /nfs/dbraw/zinc/65/96/11/1066659611.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 1 3 472.678 3.363 20 0 JGADHO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900106 1066924877 /nfs/dbraw/zinc/92/48/77/1066924877.db2.gz XBDMIUOTFOXQMM-PGRDOPGGSA-N 1 3 472.037 3.386 20 0 JGADHO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900106 1066924885 /nfs/dbraw/zinc/92/48/85/1066924885.db2.gz XBDMIUOTFOXQMM-PGRDOPGGSA-N 1 3 472.037 3.386 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001304181223 1067229789 /nfs/dbraw/zinc/22/97/89/1067229789.db2.gz AHILVTARVMIECJ-UHFFFAOYSA-N 1 3 498.716 3.487 20 0 JGADHO CSC1(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302623121 1067253256 /nfs/dbraw/zinc/25/32/56/1067253256.db2.gz VVZXLVJNVPQAGJ-UHFFFAOYSA-N 1 3 457.692 3.012 20 0 JGADHO Cc1ccc(-c2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304299445 1067349035 /nfs/dbraw/zinc/34/90/35/1067349035.db2.gz ZVJRIFAMSSSFLF-UHFFFAOYSA-N 1 3 468.650 3.232 20 0 JGADHO C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302866786 1067447801 /nfs/dbraw/zinc/44/78/01/1067447801.db2.gz RAUIUSKYEJFTGQ-HXUWFJFHSA-N 1 3 454.663 3.375 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304561874 1067632276 /nfs/dbraw/zinc/63/22/76/1067632276.db2.gz RCFAIJXHLDVCEP-ZCYQVOJMSA-N 1 3 468.690 3.312 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001303178629 1067712002 /nfs/dbraw/zinc/71/20/02/1067712002.db2.gz RBTVXFFGVFNZPU-UHFFFAOYSA-N 1 3 481.689 3.181 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001303178629 1067712012 /nfs/dbraw/zinc/71/20/12/1067712012.db2.gz RBTVXFFGVFNZPU-UHFFFAOYSA-N 1 3 481.689 3.181 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182086 1067714320 /nfs/dbraw/zinc/71/43/20/1067714320.db2.gz FFWCXQQAIIJCGH-DEOSSOPVSA-N 1 3 454.663 3.471 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182086 1067714325 /nfs/dbraw/zinc/71/43/25/1067714325.db2.gz FFWCXQQAIIJCGH-DEOSSOPVSA-N 1 3 454.663 3.471 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303189299 1067723526 /nfs/dbraw/zinc/72/35/26/1067723526.db2.gz QWHALVQSBRZFLO-UHFFFAOYSA-N 1 3 451.594 3.389 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303189299 1067723531 /nfs/dbraw/zinc/72/35/31/1067723531.db2.gz QWHALVQSBRZFLO-UHFFFAOYSA-N 1 3 451.594 3.389 20 0 JGADHO CC(C)C[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001303196942 1067731511 /nfs/dbraw/zinc/73/15/11/1067731511.db2.gz QKZYBHNPUNMYJH-DEOSSOPVSA-N 1 3 465.621 3.484 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303258701 1067785390 /nfs/dbraw/zinc/78/53/90/1067785390.db2.gz OCLVDMYOCPKSJG-GOTSBHOMSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303258701 1067785398 /nfs/dbraw/zinc/78/53/98/1067785398.db2.gz OCLVDMYOCPKSJG-GOTSBHOMSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264191 1067791688 /nfs/dbraw/zinc/79/16/88/1067791688.db2.gz BKOAGWOHJWOFBE-QFIPXVFZSA-N 1 3 456.635 3.441 20 0 JGADHO CC(C)[N@@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264191 1067791693 /nfs/dbraw/zinc/79/16/93/1067791693.db2.gz BKOAGWOHJWOFBE-QFIPXVFZSA-N 1 3 456.635 3.441 20 0 JGADHO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)CC1)C(C)C ZINC001303296234 1067820139 /nfs/dbraw/zinc/82/01/39/1067820139.db2.gz COSGDJVRCXQJGA-UHFFFAOYSA-N 1 3 460.692 3.350 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001304754025 1067835670 /nfs/dbraw/zinc/83/56/70/1067835670.db2.gz IVIOSJUMVZHEOE-XMMPIXPASA-N 1 3 464.662 3.409 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317306 1067845891 /nfs/dbraw/zinc/84/58/91/1067845891.db2.gz UERVLYLKHNQQLO-NRFANRHFSA-N 1 3 489.112 3.186 20 0 JGADHO Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001304858817 1067908896 /nfs/dbraw/zinc/90/88/96/1067908896.db2.gz AUOAYMRZVRHSPH-REHUZNOOSA-N 1 3 457.642 3.023 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303402725 1067931193 /nfs/dbraw/zinc/93/11/93/1067931193.db2.gz MLHYZHZQTLGKRG-PZJWPPBQSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303402725 1067931196 /nfs/dbraw/zinc/93/11/96/1067931196.db2.gz MLHYZHZQTLGKRG-PZJWPPBQSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001303405291 1067933840 /nfs/dbraw/zinc/93/38/40/1067933840.db2.gz OPYUFAMFNIWHTF-JOCHJYFZSA-N 1 3 481.689 3.392 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC001303463696 1067983125 /nfs/dbraw/zinc/98/31/25/1067983125.db2.gz WVYXHRQAEHIMCJ-NRFANRHFSA-N 1 3 490.656 3.413 20 0 JGADHO CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304980174 1068019136 /nfs/dbraw/zinc/01/91/36/1068019136.db2.gz GPZMLCRJAIZZOX-VNXZQDSDSA-N 1 3 473.710 3.045 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCCCC2)CCOC1 ZINC001303500512 1068027760 /nfs/dbraw/zinc/02/77/60/1068027760.db2.gz ICSRZZSONAYVPE-RUZDIDTESA-N 1 3 462.683 3.115 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCCCC2)CCOC1 ZINC001303500512 1068027769 /nfs/dbraw/zinc/02/77/69/1068027769.db2.gz ICSRZZSONAYVPE-RUZDIDTESA-N 1 3 462.683 3.115 20 0 JGADHO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1)[NH+](C)C ZINC001303739354 1068300017 /nfs/dbraw/zinc/30/00/17/1068300017.db2.gz ZCMAIGUULLXHTF-IBGZPJMESA-N 1 3 477.053 3.009 20 0 JGADHO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303895887 1068534488 /nfs/dbraw/zinc/53/44/88/1068534488.db2.gz TZYKYLWSONMSQK-VQTJNVASSA-N 1 3 474.625 3.056 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305413950 1068652581 /nfs/dbraw/zinc/65/25/81/1068652581.db2.gz ZNGBADAQVOBCPA-LCXINAFSSA-N 1 3 487.737 3.293 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455603 1068694556 /nfs/dbraw/zinc/69/45/56/1068694556.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455603 1068694559 /nfs/dbraw/zinc/69/45/59/1068694559.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512606 1068755440 /nfs/dbraw/zinc/75/54/40/1068755440.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512606 1068755447 /nfs/dbraw/zinc/75/54/47/1068755447.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305615561 1068893644 /nfs/dbraw/zinc/89/36/44/1068893644.db2.gz QCCZFPGDHWPQTJ-OAQYLSRUSA-N 1 3 483.709 3.103 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305615561 1068893652 /nfs/dbraw/zinc/89/36/52/1068893652.db2.gz QCCZFPGDHWPQTJ-OAQYLSRUSA-N 1 3 483.709 3.103 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001305621592 1068908254 /nfs/dbraw/zinc/90/82/54/1068908254.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 1 3 489.753 3.143 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001305621592 1068908261 /nfs/dbraw/zinc/90/82/61/1068908261.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 1 3 489.753 3.143 20 0 JGADHO CN1CCC(Oc2ccnc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2)CC1 ZINC001164684773 719592518 /nfs/dbraw/zinc/59/25/18/719592518.db2.gz JWJBUAOLJPVWSI-HSZRJFAPSA-N 1 3 470.639 3.282 20 0 JGADHO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)c2c1CCNC2 ZINC001164681361 719653134 /nfs/dbraw/zinc/65/31/34/719653134.db2.gz MJDASDPLDFRZNI-UHFFFAOYSA-N 1 3 450.965 3.392 20 0 JGADHO CC(C)N(c1ccc(CN2CCCC2)cn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001165000825 722220540 /nfs/dbraw/zinc/22/05/40/722220540.db2.gz ZTVMYAPUWFAHMV-UHFFFAOYSA-N 1 3 462.642 3.447 20 0 JGADHO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298889744 1064699441 /nfs/dbraw/zinc/69/94/41/1064699441.db2.gz WDLOZORWFIZDQM-HXUWFJFHSA-N 1 3 487.718 3.311 20 0 JGADHO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298889744 1064699445 /nfs/dbraw/zinc/69/94/45/1064699445.db2.gz WDLOZORWFIZDQM-HXUWFJFHSA-N 1 3 487.718 3.311 20 0 JGADHO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCN2CC=CCC2)c1 ZINC001299946476 1065220768 /nfs/dbraw/zinc/22/07/68/1065220768.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 1 3 454.619 3.145 20 0 JGADHO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCN2CC=CCC2)c1 ZINC001299946476 1065220777 /nfs/dbraw/zinc/22/07/77/1065220777.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 1 3 454.619 3.145 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302080960 1066498796 /nfs/dbraw/zinc/49/87/96/1066498796.db2.gz RANPALWKIKFYMG-NRFANRHFSA-N 1 3 484.689 3.022 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092752 1066520536 /nfs/dbraw/zinc/52/05/36/1066520536.db2.gz JRZULZQUGQIGDG-YADHBBJMSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302092752 1066520547 /nfs/dbraw/zinc/52/05/47/1066520547.db2.gz JRZULZQUGQIGDG-YADHBBJMSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092748 1066520842 /nfs/dbraw/zinc/52/08/42/1066520842.db2.gz JRZULZQUGQIGDG-FGZHOGPDSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302092748 1066520847 /nfs/dbraw/zinc/52/08/47/1066520847.db2.gz JRZULZQUGQIGDG-FGZHOGPDSA-N 1 3 462.683 3.187 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706970 1066597011 /nfs/dbraw/zinc/59/70/11/1066597011.db2.gz AAUVPHPPWYSVPM-WIOPSUGQSA-N 1 3 473.710 3.012 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709047 1066602128 /nfs/dbraw/zinc/60/21/28/1066602128.db2.gz RUKPQQUVXLEWDI-UKILVPOCSA-N 1 3 487.737 3.122 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302202939 1066698652 /nfs/dbraw/zinc/69/86/52/1066698652.db2.gz LNLINDKDBZEZEV-DEOSSOPVSA-N 1 3 468.690 3.221 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302202939 1066698657 /nfs/dbraw/zinc/69/86/57/1066698657.db2.gz LNLINDKDBZEZEV-DEOSSOPVSA-N 1 3 468.690 3.221 20 0 JGADHO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900107 1066924815 /nfs/dbraw/zinc/92/48/15/1066924815.db2.gz XBDMIUOTFOXQMM-XMSQKQJNSA-N 1 3 472.037 3.386 20 0 JGADHO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900107 1066924820 /nfs/dbraw/zinc/92/48/20/1066924820.db2.gz XBDMIUOTFOXQMM-XMSQKQJNSA-N 1 3 472.037 3.386 20 0 JGADHO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013905 /nfs/dbraw/zinc/01/39/05/1067013905.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 1 3 482.677 3.358 20 0 JGADHO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013916 /nfs/dbraw/zinc/01/39/16/1067013916.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 1 3 482.677 3.358 20 0 JGADHO Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC001304276803 1067315138 /nfs/dbraw/zinc/31/51/38/1067315138.db2.gz VPPMKJFDLDHYHM-HSZRJFAPSA-N 1 3 467.662 3.046 20 0 JGADHO Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC001304276803 1067315154 /nfs/dbraw/zinc/31/51/54/1067315154.db2.gz VPPMKJFDLDHYHM-HSZRJFAPSA-N 1 3 467.662 3.046 20 0 JGADHO CC(C)C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001302815815 1067402927 /nfs/dbraw/zinc/40/29/27/1067402927.db2.gz BMKXFCWGWLVSGV-LJQANCHMSA-N 1 3 480.661 3.491 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302897604 1067478581 /nfs/dbraw/zinc/47/85/81/1067478581.db2.gz YJUSCVGJSAHRGI-ZEQRLZLVSA-N 1 3 459.727 3.203 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304511879 1067588234 /nfs/dbraw/zinc/58/82/34/1067588234.db2.gz JDWGZJJUHUCVHV-UHFFFAOYSA-N 1 3 470.662 3.197 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304511879 1067588239 /nfs/dbraw/zinc/58/82/39/1067588239.db2.gz JDWGZJJUHUCVHV-UHFFFAOYSA-N 1 3 470.662 3.197 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304561871 1067632248 /nfs/dbraw/zinc/63/22/48/1067632248.db2.gz RCFAIJXHLDVCEP-ILBGXUMGSA-N 1 3 468.690 3.312 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304561872 1067632317 /nfs/dbraw/zinc/63/23/17/1067632317.db2.gz RCFAIJXHLDVCEP-NOZRDPDXSA-N 1 3 468.690 3.312 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC[NH+](C)C)CC1 ZINC001303184545 1067718079 /nfs/dbraw/zinc/71/80/79/1067718079.db2.gz SUGHQRYAUYEWEK-FQEVSTJZSA-N 1 3 474.719 3.488 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001303195453 1067728400 /nfs/dbraw/zinc/72/84/00/1067728400.db2.gz FXQHYWYNMIHUFP-GOTSBHOMSA-N 1 3 453.679 3.410 20 0 JGADHO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303278478 1067806608 /nfs/dbraw/zinc/80/66/08/1067806608.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 1 3 476.710 3.226 20 0 JGADHO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303278478 1067806612 /nfs/dbraw/zinc/80/66/12/1067806612.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 1 3 476.710 3.226 20 0 JGADHO CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C)C(C)C ZINC001303291551 1067816300 /nfs/dbraw/zinc/81/63/00/1067816300.db2.gz JQWDODNLIWTHTK-HSZRJFAPSA-N 1 3 483.705 3.462 20 0 JGADHO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001303305190 1067833099 /nfs/dbraw/zinc/83/30/99/1067833099.db2.gz OTVHLCNFBCJIEI-HXUWFJFHSA-N 1 3 487.718 3.311 20 0 JGADHO CC(C)[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001303305190 1067833113 /nfs/dbraw/zinc/83/31/13/1067833113.db2.gz OTVHLCNFBCJIEI-HXUWFJFHSA-N 1 3 487.718 3.311 20 0 JGADHO Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001304787222 1067881297 /nfs/dbraw/zinc/88/12/97/1067881297.db2.gz BKPSARYNRYJAIK-UHFFFAOYSA-N 1 3 456.683 3.142 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501213 1068028780 /nfs/dbraw/zinc/02/87/80/1068028780.db2.gz GAKJBILCTXZSHF-NVQXNPDNSA-N 1 3 476.710 3.360 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305408885 1068648009 /nfs/dbraw/zinc/64/80/09/1068648009.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305408885 1068648013 /nfs/dbraw/zinc/64/80/13/1068648013.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305408892 1068648084 /nfs/dbraw/zinc/64/80/84/1068648084.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305408892 1068648090 /nfs/dbraw/zinc/64/80/90/1068648090.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001305611894 1068887002 /nfs/dbraw/zinc/88/70/02/1068887002.db2.gz AHEZSSCRTDZTRO-LJQANCHMSA-N 1 3 466.634 3.102 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001305611894 1068887010 /nfs/dbraw/zinc/88/70/10/1068887010.db2.gz AHEZSSCRTDZTRO-LJQANCHMSA-N 1 3 466.634 3.102 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001305615347 1068892907 /nfs/dbraw/zinc/89/29/07/1068892907.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001305615347 1068892914 /nfs/dbraw/zinc/89/29/14/1068892914.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 1 3 483.709 3.101 20 0 JGADHO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709131 1069102741 /nfs/dbraw/zinc/10/27/41/1069102741.db2.gz ACFVPDGLRFOFBL-NHCUHLMSSA-N 1 3 461.699 3.154 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001305772226 1069250554 /nfs/dbraw/zinc/25/05/54/1069250554.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 1 3 461.699 3.239 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001305772226 1069250561 /nfs/dbraw/zinc/25/05/61/1069250561.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 1 3 461.699 3.239 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305785165 1069284371 /nfs/dbraw/zinc/28/43/71/1069284371.db2.gz IKJGYHSELGZJGH-JOCHJYFZSA-N 1 3 459.683 3.136 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305785165 1069284386 /nfs/dbraw/zinc/28/43/86/1069284386.db2.gz IKJGYHSELGZJGH-JOCHJYFZSA-N 1 3 459.683 3.136 20 0 JGADHO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc4c3CCNC4)CC2)c2ccccc21 ZINC001164682145 719676521 /nfs/dbraw/zinc/67/65/21/719676521.db2.gz PFADPFYBGRZBSV-LJQANCHMSA-N 1 3 482.072 3.474 20 0 JGADHO CC[C@@H](Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851278 1069405377 /nfs/dbraw/zinc/40/53/77/1069405377.db2.gz ZSHJOYUFQVIXOH-OFVILXPXSA-N 1 3 462.683 3.114 20 0 JGADHO C[N@H+](CCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678444 1064468063 /nfs/dbraw/zinc/46/80/63/1064468063.db2.gz BITQPVBEDFFRHK-QHCPKHFHSA-N 1 3 454.663 3.256 20 0 JGADHO C[N@@H+](CCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678444 1064468068 /nfs/dbraw/zinc/46/80/68/1064468068.db2.gz BITQPVBEDFFRHK-QHCPKHFHSA-N 1 3 454.663 3.256 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC[N@H+](C)C(C)C ZINC001299908734 1065153541 /nfs/dbraw/zinc/15/35/41/1065153541.db2.gz ATEXPGVQHPNUFX-IBGZPJMESA-N 1 3 477.053 3.106 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299908734 1065153548 /nfs/dbraw/zinc/15/35/48/1065153548.db2.gz ATEXPGVQHPNUFX-IBGZPJMESA-N 1 3 477.053 3.106 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599193 /nfs/dbraw/zinc/59/91/93/1066599193.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 1 3 473.710 3.045 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599201 /nfs/dbraw/zinc/59/92/01/1066599201.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 1 3 473.710 3.045 20 0 JGADHO COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731017 1066650648 /nfs/dbraw/zinc/65/06/48/1066650648.db2.gz IWDBYMYSCNTNAE-PKTZIBPZSA-N 1 3 462.683 3.190 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175576 1067224215 /nfs/dbraw/zinc/22/42/15/1067224215.db2.gz VIPCOWOTIXJVAH-UHFFFAOYSA-N 1 3 484.689 3.363 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175576 1067224220 /nfs/dbraw/zinc/22/42/20/1067224220.db2.gz VIPCOWOTIXJVAH-UHFFFAOYSA-N 1 3 484.689 3.363 20 0 JGADHO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCN3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486417 /nfs/dbraw/zinc/48/64/17/1067486417.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 1 3 458.695 3.454 20 0 JGADHO C[C@@H]1C[N@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCN3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486421 /nfs/dbraw/zinc/48/64/21/1067486421.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 1 3 458.695 3.454 20 0 JGADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302948574 1067522029 /nfs/dbraw/zinc/52/20/29/1067522029.db2.gz XQSFRTVSUKFIDG-HSZRJFAPSA-N 1 3 454.663 3.012 20 0 JGADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302948574 1067522037 /nfs/dbraw/zinc/52/20/37/1067522037.db2.gz XQSFRTVSUKFIDG-HSZRJFAPSA-N 1 3 454.663 3.012 20 0 JGADHO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302954929 1067526745 /nfs/dbraw/zinc/52/67/45/1067526745.db2.gz VHPOPKNLTQJVCE-VHYCJAOWSA-N 1 3 487.737 3.120 20 0 JGADHO CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302954928 1067526860 /nfs/dbraw/zinc/52/68/60/1067526860.db2.gz VHPOPKNLTQJVCE-KXTRFFEISA-N 1 3 487.737 3.120 20 0 JGADHO Cc1cccc(CN2CCN(c3nnc(C(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)c1 ZINC001304495808 1067572225 /nfs/dbraw/zinc/57/22/25/1067572225.db2.gz NBUMPLIRKCRZJR-UHFFFAOYSA-N 1 3 481.733 3.480 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001303178440 1067711539 /nfs/dbraw/zinc/71/15/39/1067711539.db2.gz OBEGNYKLAXTJEI-UHFFFAOYSA-N 1 3 469.678 3.083 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001303178440 1067711547 /nfs/dbraw/zinc/71/15/47/1067711547.db2.gz OBEGNYKLAXTJEI-UHFFFAOYSA-N 1 3 469.678 3.083 20 0 JGADHO Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cs1 ZINC001304674781 1067745705 /nfs/dbraw/zinc/74/57/05/1067745705.db2.gz VSROBDPZGXRZPI-UHFFFAOYSA-N 1 3 489.734 3.303 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316608 1067843581 /nfs/dbraw/zinc/84/35/81/1067843581.db2.gz GPFDXQQCEZSHDO-FGZHOGPDSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316608 1067843596 /nfs/dbraw/zinc/84/35/96/1067843596.db2.gz GPFDXQQCEZSHDO-FGZHOGPDSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316609 1067843939 /nfs/dbraw/zinc/84/39/39/1067843939.db2.gz GPFDXQQCEZSHDO-VXKWHMMOSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316609 1067843949 /nfs/dbraw/zinc/84/39/49/1067843949.db2.gz GPFDXQQCEZSHDO-VXKWHMMOSA-N 1 3 459.727 3.301 20 0 JGADHO Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001304825028 1067894423 /nfs/dbraw/zinc/89/44/23/1067894423.db2.gz FPOSOYFRSHOBLS-ZJSXRUAMSA-N 1 3 453.679 3.321 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303501890 1068030917 /nfs/dbraw/zinc/03/09/17/1068030917.db2.gz JXQHVBUGQUTUKP-RUZDIDTESA-N 1 3 462.683 3.114 20 0 JGADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028723 1068086456 /nfs/dbraw/zinc/08/64/56/1068086456.db2.gz JDZUWKXCWPVEQS-FGZHOGPDSA-N 1 3 473.710 3.079 20 0 JGADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028723 1068086469 /nfs/dbraw/zinc/08/64/69/1068086469.db2.gz JDZUWKXCWPVEQS-FGZHOGPDSA-N 1 3 473.710 3.079 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305043553 1068099687 /nfs/dbraw/zinc/09/96/87/1068099687.db2.gz SJCOIGLKGQFRFM-QFIPXVFZSA-N 1 3 473.710 3.383 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305043553 1068099700 /nfs/dbraw/zinc/09/97/00/1068099700.db2.gz SJCOIGLKGQFRFM-QFIPXVFZSA-N 1 3 473.710 3.383 20 0 JGADHO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663788 1068195626 /nfs/dbraw/zinc/19/56/26/1068195626.db2.gz FYLMLHIVUDLEBB-NHCUHLMSSA-N 1 3 459.683 3.052 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305413947 1068652606 /nfs/dbraw/zinc/65/26/06/1068652606.db2.gz ZNGBADAQVOBCPA-FVEXOFTDSA-N 1 3 487.737 3.293 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455608 1068694579 /nfs/dbraw/zinc/69/45/79/1068694579.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455608 1068694582 /nfs/dbraw/zinc/69/45/82/1068694582.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456491 1068695879 /nfs/dbraw/zinc/69/58/79/1068695879.db2.gz FOEDTSQAHKAXQV-XWGVYQGASA-N 1 3 453.679 3.311 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305609211 1068881035 /nfs/dbraw/zinc/88/10/35/1068881035.db2.gz SAEYSRSRYHONGA-LADGPHEKSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305609211 1068881049 /nfs/dbraw/zinc/88/10/49/1068881049.db2.gz SAEYSRSRYHONGA-LADGPHEKSA-N 1 3 483.705 3.289 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736660 1069159032 /nfs/dbraw/zinc/15/90/32/1069159032.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305736660 1069159039 /nfs/dbraw/zinc/15/90/39/1069159039.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 1 3 475.726 3.483 20 0 JGADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681392 719658365 /nfs/dbraw/zinc/65/83/65/719658365.db2.gz NNHBVHZKKTZYHU-JOCHJYFZSA-N 1 3 476.669 3.479 20 0 JGADHO CCN1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950636 721991311 /nfs/dbraw/zinc/99/13/11/721991311.db2.gz JSEVEXFZRCPSBJ-BGWNEDDSSA-N 1 3 462.660 3.228 20 0 JGADHO C[N@@H+]1CC[C@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298881943 1064688697 /nfs/dbraw/zinc/68/86/97/1064688697.db2.gz NEJCUJWIWPYQEP-HSZRJFAPSA-N 1 3 479.094 3.211 20 0 JGADHO C[N@H+]1CC[C@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298881943 1064688704 /nfs/dbraw/zinc/68/87/04/1064688704.db2.gz NEJCUJWIWPYQEP-HSZRJFAPSA-N 1 3 479.094 3.211 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001299855105 1065063618 /nfs/dbraw/zinc/06/36/18/1065063618.db2.gz KKYPPEDCMDMRES-OAQYLSRUSA-N 1 3 457.537 3.321 20 0 JGADHO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001299953510 1065233891 /nfs/dbraw/zinc/23/38/91/1065233891.db2.gz ZDRHVQFANHOPSW-QHCPKHFHSA-N 1 3 456.635 3.081 20 0 JGADHO Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492359249 1065420496 /nfs/dbraw/zinc/42/04/96/1065420496.db2.gz HWJAYQORZVEWRP-BJKOFHAPSA-N 1 3 483.705 3.029 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302078696 1066492209 /nfs/dbraw/zinc/49/22/09/1066492209.db2.gz LRRWTRLAQKCEGK-RTWAWAEBSA-N 1 3 450.672 3.045 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302080961 1066498822 /nfs/dbraw/zinc/49/88/22/1066498822.db2.gz RANPALWKIKFYMG-OAQYLSRUSA-N 1 3 484.689 3.022 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706968 1066596951 /nfs/dbraw/zinc/59/69/51/1066596951.db2.gz AAUVPHPPWYSVPM-RCZVLFRGSA-N 1 3 473.710 3.012 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709046 1066602140 /nfs/dbraw/zinc/60/21/40/1066602140.db2.gz RUKPQQUVXLEWDI-NOZRDPDXSA-N 1 3 487.737 3.122 20 0 JGADHO CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001302191320 1066674314 /nfs/dbraw/zinc/67/43/14/1066674314.db2.gz ZOBRHHABRNBMPG-UHFFFAOYSA-N 1 3 473.710 3.338 20 0 JGADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302305528 1066894802 /nfs/dbraw/zinc/89/48/02/1066894802.db2.gz PMOXZOBKFSYJLF-SFTDATJTSA-N 1 3 450.672 3.041 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001303185146 1067719600 /nfs/dbraw/zinc/71/96/00/1067719600.db2.gz UQHYOYIVSFNPRD-FXSPECFOSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001303185146 1067719608 /nfs/dbraw/zinc/71/96/08/1067719608.db2.gz UQHYOYIVSFNPRD-FXSPECFOSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303258699 1067785172 /nfs/dbraw/zinc/78/51/72/1067785172.db2.gz OCLVDMYOCPKSJG-DHIUTWEWSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303258699 1067785182 /nfs/dbraw/zinc/78/51/82/1067785182.db2.gz OCLVDMYOCPKSJG-DHIUTWEWSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303270416 1067799111 /nfs/dbraw/zinc/79/91/11/1067799111.db2.gz KNBXLEGVTHQSBM-UHFFFAOYSA-N 1 3 486.068 3.131 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303270416 1067799117 /nfs/dbraw/zinc/79/91/17/1067799117.db2.gz KNBXLEGVTHQSBM-UHFFFAOYSA-N 1 3 486.068 3.131 20 0 JGADHO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001303303577 1067829234 /nfs/dbraw/zinc/82/92/34/1067829234.db2.gz YCOOQPWWIUDUHQ-UHFFFAOYSA-N 1 3 488.652 3.152 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001303317724 1067847147 /nfs/dbraw/zinc/84/71/47/1067847147.db2.gz BRJDFOHRCOYPFY-RPWUZVMVSA-N 1 3 475.726 3.243 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303405117 1067933393 /nfs/dbraw/zinc/93/33/93/1067933393.db2.gz IATKNIDRIGEKCX-NRFANRHFSA-N 1 3 459.683 3.136 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303405117 1067933397 /nfs/dbraw/zinc/93/33/97/1067933397.db2.gz IATKNIDRIGEKCX-NRFANRHFSA-N 1 3 459.683 3.136 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCCCC2)CCOC1 ZINC001303500513 1068027508 /nfs/dbraw/zinc/02/75/08/1068027508.db2.gz ICSRZZSONAYVPE-VWLOTQADSA-N 1 3 462.683 3.115 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCCCC2)CCOC1 ZINC001303500513 1068027523 /nfs/dbraw/zinc/02/75/23/1068027523.db2.gz ICSRZZSONAYVPE-VWLOTQADSA-N 1 3 462.683 3.115 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503275 1068034566 /nfs/dbraw/zinc/03/45/66/1068034566.db2.gz BZSDCSBYTOKMEF-RLWLMLJZSA-N 1 3 476.710 3.360 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503275 1068034580 /nfs/dbraw/zinc/03/45/80/1068034580.db2.gz BZSDCSBYTOKMEF-RLWLMLJZSA-N 1 3 476.710 3.360 20 0 JGADHO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734428 1068290819 /nfs/dbraw/zinc/29/08/19/1068290819.db2.gz INZADYZCQDIKAZ-VXKWHMMOSA-N 1 3 454.663 3.093 20 0 JGADHO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303926364 1068584239 /nfs/dbraw/zinc/58/42/39/1068584239.db2.gz KNEJLARFQGNOIU-FQEVSTJZSA-N 1 3 488.652 3.325 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001305621589 1068908176 /nfs/dbraw/zinc/90/81/76/1068908176.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 1 3 489.753 3.143 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001305621589 1068908190 /nfs/dbraw/zinc/90/81/90/1068908190.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 1 3 489.753 3.143 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001305621591 1068908410 /nfs/dbraw/zinc/90/84/10/1068908410.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 1 3 489.753 3.143 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001305621591 1068908420 /nfs/dbraw/zinc/90/84/20/1068908420.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 1 3 489.753 3.143 20 0 JGADHO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001305710900 1069108841 /nfs/dbraw/zinc/10/88/41/1069108841.db2.gz XQPGCLYEYYJPGJ-DQEYMECFSA-N 1 3 495.716 3.363 20 0 JGADHO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298882312 1064689507 /nfs/dbraw/zinc/68/95/07/1064689507.db2.gz UIQSMQSWTBBOFG-MHZLTWQESA-N 1 3 484.689 3.142 20 0 JGADHO C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298882312 1064689513 /nfs/dbraw/zinc/68/95/13/1064689513.db2.gz UIQSMQSWTBBOFG-MHZLTWQESA-N 1 3 484.689 3.142 20 0 JGADHO Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492359250 1065420541 /nfs/dbraw/zinc/42/05/41/1065420541.db2.gz HWJAYQORZVEWRP-DNQXCXABSA-N 1 3 483.705 3.029 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302091649 1066519438 /nfs/dbraw/zinc/51/94/38/1066519438.db2.gz FWSIJLAIHWBZKG-YPAWHYETSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302091649 1066519448 /nfs/dbraw/zinc/51/94/48/1066519448.db2.gz FWSIJLAIHWBZKG-YPAWHYETSA-N 1 3 462.683 3.187 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599248 /nfs/dbraw/zinc/59/92/48/1066599248.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 1 3 473.710 3.045 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599258 /nfs/dbraw/zinc/59/92/58/1066599258.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 1 3 473.710 3.045 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001301708300 1066600777 /nfs/dbraw/zinc/60/07/77/1066600777.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 1 3 487.737 3.075 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001301708300 1066600778 /nfs/dbraw/zinc/60/07/78/1066600778.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 1 3 487.737 3.075 20 0 JGADHO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001301726091 1066642339 /nfs/dbraw/zinc/64/23/39/1066642339.db2.gz OMISUOULTVLTQL-UHFFFAOYSA-N 1 3 453.006 3.094 20 0 JGADHO COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001301726091 1066642345 /nfs/dbraw/zinc/64/23/45/1066642345.db2.gz OMISUOULTVLTQL-UHFFFAOYSA-N 1 3 453.006 3.094 20 0 JGADHO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001302817800 1067405098 /nfs/dbraw/zinc/40/50/98/1067405098.db2.gz GBFKRHIYCWCQBJ-NRFANRHFSA-N 1 3 490.643 3.424 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383550 1067432978 /nfs/dbraw/zinc/43/29/78/1067432978.db2.gz ZYFOGZBLDCXWLD-OAQYLSRUSA-N 1 3 456.631 3.069 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304512211 1067588855 /nfs/dbraw/zinc/58/88/55/1067588855.db2.gz NOCILCYJEXJFNF-VWLOTQADSA-N 1 3 472.703 3.381 20 0 JGADHO Cc1ccccc1-c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001304526245 1067599032 /nfs/dbraw/zinc/59/90/32/1067599032.db2.gz UPKQDNZTOXAJLT-UHFFFAOYSA-N 1 3 464.662 3.391 20 0 JGADHO Cc1ccccc1-c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC[N@H+](C)C(C)C ZINC001304526245 1067599038 /nfs/dbraw/zinc/59/90/38/1067599038.db2.gz UPKQDNZTOXAJLT-UHFFFAOYSA-N 1 3 464.662 3.391 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001303276968 1067804704 /nfs/dbraw/zinc/80/47/04/1067804704.db2.gz PWCNCVVKYLTSHG-OAQYLSRUSA-N 1 3 489.659 3.092 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001303276968 1067804706 /nfs/dbraw/zinc/80/47/06/1067804706.db2.gz PWCNCVVKYLTSHG-OAQYLSRUSA-N 1 3 489.659 3.092 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001303316542 1067843504 /nfs/dbraw/zinc/84/35/04/1067843504.db2.gz CZUMTTIEAXRLMT-HSZRJFAPSA-N 1 3 459.727 3.445 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001303316542 1067843524 /nfs/dbraw/zinc/84/35/24/1067843524.db2.gz CZUMTTIEAXRLMT-HSZRJFAPSA-N 1 3 459.727 3.445 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001303318412 1067849783 /nfs/dbraw/zinc/84/97/83/1067849783.db2.gz QYOLAIMFMGEYPQ-QHCPKHFHSA-N 1 3 459.727 3.347 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001303405292 1067933741 /nfs/dbraw/zinc/93/37/41/1067933741.db2.gz OPYUFAMFNIWHTF-QFIPXVFZSA-N 1 3 481.689 3.392 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303410607 1067936993 /nfs/dbraw/zinc/93/69/93/1067936993.db2.gz VXDBHKOVGSOAGR-UHFFFAOYSA-N 1 3 461.699 3.097 20 0 JGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910810 1067954126 /nfs/dbraw/zinc/95/41/26/1067954126.db2.gz IZASEUSJXVARHQ-VSKRKVRLSA-N 1 3 460.711 3.491 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303465463 1067984809 /nfs/dbraw/zinc/98/48/09/1067984809.db2.gz QAOKOLRXGKINHF-JOCHJYFZSA-N 1 3 452.582 3.144 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304979164 1068017541 /nfs/dbraw/zinc/01/75/41/1068017541.db2.gz LSESFWWZVHZENW-XZZNXKJUSA-N 1 3 487.737 3.485 20 0 JGADHO C[C@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982387 1068023577 /nfs/dbraw/zinc/02/35/77/1068023577.db2.gz AHHSFMWPHBMMAK-CUNXSJBXSA-N 1 3 487.737 3.122 20 0 JGADHO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112213 1068185942 /nfs/dbraw/zinc/18/59/42/1068185942.db2.gz KHSIHIKOMMXHPV-FKBYEOEOSA-N 1 3 476.710 3.012 20 0 JGADHO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663789 1068195593 /nfs/dbraw/zinc/19/55/93/1068195593.db2.gz FYLMLHIVUDLEBB-RTWAWAEBSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1)[NH+](C)C ZINC001303895885 1068534384 /nfs/dbraw/zinc/53/43/84/1068534384.db2.gz TZYKYLWSONMSQK-PMACEKPBSA-N 1 3 474.625 3.056 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538442 1068803194 /nfs/dbraw/zinc/80/31/94/1068803194.db2.gz WRQYWTKCRLHFDM-NHCUHLMSSA-N 1 3 476.710 3.371 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305609208 1068881129 /nfs/dbraw/zinc/88/11/29/1068881129.db2.gz SAEYSRSRYHONGA-ISKFKSNPSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305609208 1068881136 /nfs/dbraw/zinc/88/11/36/1068881136.db2.gz SAEYSRSRYHONGA-ISKFKSNPSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001305673186 1069022914 /nfs/dbraw/zinc/02/29/14/1069022914.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 1 3 495.716 3.293 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001305673186 1069022926 /nfs/dbraw/zinc/02/29/26/1069022926.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 1 3 495.716 3.293 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001305673189 1069023005 /nfs/dbraw/zinc/02/30/05/1069023005.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 1 3 495.716 3.293 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001305673189 1069023012 /nfs/dbraw/zinc/02/30/12/1069023012.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 1 3 495.716 3.293 20 0 JGADHO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001305710902 1069108855 /nfs/dbraw/zinc/10/88/55/1069108855.db2.gz XQPGCLYEYYJPGJ-LOSJGSFVSA-N 1 3 495.716 3.363 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736659 1069159154 /nfs/dbraw/zinc/15/91/54/1069159154.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305736659 1069159158 /nfs/dbraw/zinc/15/91/58/1069159158.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738040 1069161529 /nfs/dbraw/zinc/16/15/29/1069161529.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738040 1069161536 /nfs/dbraw/zinc/16/15/36/1069161536.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744089 1069182533 /nfs/dbraw/zinc/18/25/33/1069182533.db2.gz ZTSHTHPOKHEVMM-NHCUHLMSSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744092 1069182574 /nfs/dbraw/zinc/18/25/74/1069182574.db2.gz ZTSHTHPOKHEVMM-RTWAWAEBSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305785749 1069287613 /nfs/dbraw/zinc/28/76/13/1069287613.db2.gz KJTRFMCQBVLOCL-OAQYLSRUSA-N 1 3 461.699 3.095 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305785749 1069287623 /nfs/dbraw/zinc/28/76/23/1069287623.db2.gz KJTRFMCQBVLOCL-OAQYLSRUSA-N 1 3 461.699 3.095 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305785894 1069288609 /nfs/dbraw/zinc/28/86/09/1069288609.db2.gz OAALQLZKRBAKEI-UHFFFAOYSA-N 1 3 496.704 3.286 20 0 JGADHO CCN1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950681 721991595 /nfs/dbraw/zinc/99/15/95/721991595.db2.gz JSEVEXFZRCPSBJ-KIFXHHALSA-N 1 3 462.660 3.228 20 0 JGADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920511 1069475798 /nfs/dbraw/zinc/47/57/98/1069475798.db2.gz SGVYRSSJRPIJDW-DEOSSOPVSA-N 1 3 454.663 3.254 20 0 JGADHO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001299907680 1065149933 /nfs/dbraw/zinc/14/99/33/1065149933.db2.gz KQLUXPULSDDSQE-UHFFFAOYSA-N 1 3 491.080 3.374 20 0 JGADHO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299953509 1065233944 /nfs/dbraw/zinc/23/39/44/1065233944.db2.gz ZDRHVQFANHOPSW-HSZRJFAPSA-N 1 3 456.635 3.081 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302078691 1066492118 /nfs/dbraw/zinc/49/21/18/1066492118.db2.gz LRRWTRLAQKCEGK-LEWJYISDSA-N 1 3 450.672 3.045 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302091646 1066519191 /nfs/dbraw/zinc/51/91/91/1066519191.db2.gz FWSIJLAIHWBZKG-BHDDXSALSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302091646 1066519199 /nfs/dbraw/zinc/51/91/99/1066519199.db2.gz FWSIJLAIHWBZKG-BHDDXSALSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092750 1066520723 /nfs/dbraw/zinc/52/07/23/1066520723.db2.gz JRZULZQUGQIGDG-VXKWHMMOSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302092750 1066520728 /nfs/dbraw/zinc/52/07/28/1066520728.db2.gz JRZULZQUGQIGDG-VXKWHMMOSA-N 1 3 462.683 3.187 20 0 JGADHO COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731018 1066650705 /nfs/dbraw/zinc/65/07/05/1066650705.db2.gz IWDBYMYSCNTNAE-XZOQPEGZSA-N 1 3 462.683 3.190 20 0 JGADHO COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732082 1066651317 /nfs/dbraw/zinc/65/13/17/1066651317.db2.gz QNSAFVHATKYELZ-QHCPKHFHSA-N 1 3 462.683 3.190 20 0 JGADHO COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732081 1066651358 /nfs/dbraw/zinc/65/13/58/1066651358.db2.gz QNSAFVHATKYELZ-HSZRJFAPSA-N 1 3 462.683 3.190 20 0 JGADHO COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301733727 1066654619 /nfs/dbraw/zinc/65/46/19/1066654619.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 1 3 464.605 3.036 20 0 JGADHO COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301733727 1066654623 /nfs/dbraw/zinc/65/46/23/1066654623.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 1 3 464.605 3.036 20 0 JGADHO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900105 1066924569 /nfs/dbraw/zinc/92/45/69/1066924569.db2.gz XBDMIUOTFOXQMM-GCJKJVERSA-N 1 3 472.037 3.386 20 0 JGADHO COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900105 1066924581 /nfs/dbraw/zinc/92/45/81/1066924581.db2.gz XBDMIUOTFOXQMM-GCJKJVERSA-N 1 3 472.037 3.386 20 0 JGADHO Cc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304313866 1067360832 /nfs/dbraw/zinc/36/08/32/1067360832.db2.gz BBTKSZUUJKGLIF-NRFANRHFSA-N 1 3 457.667 3.039 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304385671 1067438481 /nfs/dbraw/zinc/43/84/81/1067438481.db2.gz ZSCRCOGUVFHAOP-HXUWFJFHSA-N 1 3 453.635 3.162 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302899326 1067481563 /nfs/dbraw/zinc/48/15/63/1067481563.db2.gz HSMFPQFAIIMPMI-DEOSSOPVSA-N 1 3 459.727 3.203 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304558671 1067627566 /nfs/dbraw/zinc/62/75/66/1067627566.db2.gz BSIQDESHZXMDHM-RUZDIDTESA-N 1 3 456.704 3.393 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001303195450 1067728409 /nfs/dbraw/zinc/72/84/09/1067728409.db2.gz FXQHYWYNMIHUFP-DHIUTWEWSA-N 1 3 453.679 3.410 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303197587 1067732254 /nfs/dbraw/zinc/73/22/54/1067732254.db2.gz RJLUNJRCCYYWBC-UHFFFAOYSA-N 1 3 472.653 3.021 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317930 1067847707 /nfs/dbraw/zinc/84/77/07/1067847707.db2.gz FQLSZEOCOOHOMP-JOCHJYFZSA-N 1 3 473.735 3.123 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303402723 1067931267 /nfs/dbraw/zinc/93/12/67/1067931267.db2.gz MLHYZHZQTLGKRG-FPOVZHCZSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303402723 1067931271 /nfs/dbraw/zinc/93/12/71/1067931271.db2.gz MLHYZHZQTLGKRG-FPOVZHCZSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501211 1068028761 /nfs/dbraw/zinc/02/87/61/1068028761.db2.gz GAKJBILCTXZSHF-GJZUVCINSA-N 1 3 476.710 3.360 20 0 JGADHO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015477 1068058034 /nfs/dbraw/zinc/05/80/34/1068058034.db2.gz JQMPQBXCQOOZDA-RTWAWAEBSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015477 1068058047 /nfs/dbraw/zinc/05/80/47/1068058047.db2.gz JQMPQBXCQOOZDA-RTWAWAEBSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303931670 1068589142 /nfs/dbraw/zinc/58/91/42/1068589142.db2.gz HTFDHGVDRXATEJ-FQEVSTJZSA-N 1 3 488.652 3.446 20 0 JGADHO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303931671 1068589317 /nfs/dbraw/zinc/58/93/17/1068589317.db2.gz HTFDHGVDRXATEJ-HXUWFJFHSA-N 1 3 488.652 3.446 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305408888 1068648224 /nfs/dbraw/zinc/64/82/24/1068648224.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305408888 1068648230 /nfs/dbraw/zinc/64/82/30/1068648230.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305544139 1068819099 /nfs/dbraw/zinc/81/90/99/1068819099.db2.gz YTWMZZQITFJTLC-VXKWHMMOSA-N 1 3 473.735 3.449 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305544334 1068821198 /nfs/dbraw/zinc/82/11/98/1068821198.db2.gz OWMIXMIEMRCHJB-IRLDBZIGSA-N 1 3 458.626 3.221 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001305615348 1068893000 /nfs/dbraw/zinc/89/30/00/1068893000.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001305615348 1068893008 /nfs/dbraw/zinc/89/30/08/1068893008.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305615559 1068893817 /nfs/dbraw/zinc/89/38/17/1068893817.db2.gz QCCZFPGDHWPQTJ-NRFANRHFSA-N 1 3 483.709 3.103 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305615559 1068893825 /nfs/dbraw/zinc/89/38/25/1068893825.db2.gz QCCZFPGDHWPQTJ-NRFANRHFSA-N 1 3 483.709 3.103 20 0 JGADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022552 /nfs/dbraw/zinc/02/25/52/1069022552.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 1 3 495.716 3.293 20 0 JGADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022564 /nfs/dbraw/zinc/02/25/64/1069022564.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 1 3 495.716 3.293 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCCN1CC ZINC001305769529 1069245234 /nfs/dbraw/zinc/24/52/34/1069245234.db2.gz HDTWQYDOBBCNGB-FGZHOGPDSA-N 1 3 459.683 3.136 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCN1CCC[C@H](C)C1 ZINC001305772225 1069250498 /nfs/dbraw/zinc/25/04/98/1069250498.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 1 3 461.699 3.239 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN1CCC[C@H](C)C1 ZINC001305772225 1069250509 /nfs/dbraw/zinc/25/05/09/1069250509.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 1 3 461.699 3.239 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305778263 1069265198 /nfs/dbraw/zinc/26/51/98/1069265198.db2.gz AHKRCCHAWHSLPM-UHFFFAOYSA-N 1 3 495.716 3.216 20 0 JGADHO Cn1nnc2c1CCN(c1nc(N3CCCC3)cc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714976 720198919 /nfs/dbraw/zinc/19/89/19/720198919.db2.gz IADDPBOOIRAMBQ-HSZRJFAPSA-N 1 3 461.614 3.180 20 0 JGADHO Cn1nnc2c1CCN(c1nc(N3CCCC3)cc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714978 720199035 /nfs/dbraw/zinc/19/90/35/720199035.db2.gz IADDPBOOIRAMBQ-QHCPKHFHSA-N 1 3 461.614 3.180 20 0 JGADHO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164939022 721930832 /nfs/dbraw/zinc/93/08/32/721930832.db2.gz HGQBFSXHIMLAFP-UHFFFAOYSA-N 1 3 477.657 3.252 20 0 JGADHO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164939022 721930835 /nfs/dbraw/zinc/93/08/35/721930835.db2.gz HGQBFSXHIMLAFP-UHFFFAOYSA-N 1 3 477.657 3.252 20 0 JGADHO CCN1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950677 721991345 /nfs/dbraw/zinc/99/13/45/721991345.db2.gz JSEVEXFZRCPSBJ-FJIJXJHWSA-N 1 3 462.660 3.228 20 0 JGADHO CCN1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950675 721991492 /nfs/dbraw/zinc/99/14/92/721991492.db2.gz JSEVEXFZRCPSBJ-BKULYWANSA-N 1 3 462.660 3.228 20 0 JGADHO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)N1CCCC1 ZINC001305815978 1069349352 /nfs/dbraw/zinc/34/93/52/1069349352.db2.gz QRZUIRFKNYATBR-QFIPXVFZSA-N 1 3 488.702 3.190 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001492266506 1065362219 /nfs/dbraw/zinc/36/22/19/1065362219.db2.gz NITDZXKJIWRYAJ-QHCPKHFHSA-N 1 3 467.662 3.265 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707687 1066598320 /nfs/dbraw/zinc/59/83/20/1066598320.db2.gz FBESJJZVEFQDAC-URXFXBBRSA-N 1 3 473.710 3.043 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707688 1066598487 /nfs/dbraw/zinc/59/84/87/1066598487.db2.gz FBESJJZVEFQDAC-XUZZJYLKSA-N 1 3 473.710 3.043 20 0 JGADHO COCC[N@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301717809 1066619366 /nfs/dbraw/zinc/61/93/66/1066619366.db2.gz VUAOJBPOUGXHCE-UHFFFAOYSA-N 1 3 467.662 3.326 20 0 JGADHO COCC[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301717809 1066619377 /nfs/dbraw/zinc/61/93/77/1066619377.db2.gz VUAOJBPOUGXHCE-UHFFFAOYSA-N 1 3 467.662 3.326 20 0 JGADHO COCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301723341 1066634850 /nfs/dbraw/zinc/63/48/50/1066634850.db2.gz YHSJDEOTCAUYID-UHFFFAOYSA-N 1 3 491.478 3.350 20 0 JGADHO COCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301723341 1066634856 /nfs/dbraw/zinc/63/48/56/1066634856.db2.gz YHSJDEOTCAUYID-UHFFFAOYSA-N 1 3 491.478 3.350 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001301735556 1066657231 /nfs/dbraw/zinc/65/72/31/1066657231.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301735556 1066657234 /nfs/dbraw/zinc/65/72/34/1066657234.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001301735558 1066657288 /nfs/dbraw/zinc/65/72/88/1066657288.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 1 3 497.471 3.415 20 0 JGADHO COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301735558 1066657292 /nfs/dbraw/zinc/65/72/92/1066657292.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 1 3 497.471 3.415 20 0 JGADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304029754 1067077481 /nfs/dbraw/zinc/07/74/81/1067077481.db2.gz MLASYWAQFDMJPX-MZYLBHOOSA-N 1 3 470.662 3.144 20 0 JGADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001302674712 1067300630 /nfs/dbraw/zinc/30/06/30/1067300630.db2.gz UTSVUQYVJYJPAM-QHCPKHFHSA-N 1 3 454.663 3.327 20 0 JGADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001302674712 1067300640 /nfs/dbraw/zinc/30/06/40/1067300640.db2.gz UTSVUQYVJYJPAM-QHCPKHFHSA-N 1 3 454.663 3.327 20 0 JGADHO Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC001304276804 1067315318 /nfs/dbraw/zinc/31/53/18/1067315318.db2.gz VPPMKJFDLDHYHM-QHCPKHFHSA-N 1 3 467.662 3.046 20 0 JGADHO Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC001304276804 1067315332 /nfs/dbraw/zinc/31/53/32/1067315332.db2.gz VPPMKJFDLDHYHM-QHCPKHFHSA-N 1 3 467.662 3.046 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185148 1067719672 /nfs/dbraw/zinc/71/96/72/1067719672.db2.gz UQHYOYIVSFNPRD-UMFSSWHCSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185148 1067719678 /nfs/dbraw/zinc/71/96/78/1067719678.db2.gz UQHYOYIVSFNPRD-UMFSSWHCSA-N 1 3 476.710 3.217 20 0 JGADHO Cc1nc(Cc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671185 1067740301 /nfs/dbraw/zinc/74/03/01/1067740301.db2.gz UVWPUQYWMVCFGR-AUSIDOKSSA-N 1 3 489.734 3.300 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303258702 1067785634 /nfs/dbraw/zinc/78/56/34/1067785634.db2.gz OCLVDMYOCPKSJG-PKTZIBPZSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303258702 1067785644 /nfs/dbraw/zinc/78/56/44/1067785644.db2.gz OCLVDMYOCPKSJG-PKTZIBPZSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303258703 1067785666 /nfs/dbraw/zinc/78/56/66/1067785666.db2.gz OCLVDMYOCPKSJG-XZOQPEGZSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303258703 1067785673 /nfs/dbraw/zinc/78/56/73/1067785673.db2.gz OCLVDMYOCPKSJG-XZOQPEGZSA-N 1 3 467.662 3.089 20 0 JGADHO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303268858 1067797579 /nfs/dbraw/zinc/79/75/79/1067797579.db2.gz NPNKYGAKBLUYCF-UHFFFAOYSA-N 1 3 466.472 3.307 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303268858 1067797584 /nfs/dbraw/zinc/79/75/84/1067797584.db2.gz NPNKYGAKBLUYCF-UHFFFAOYSA-N 1 3 466.472 3.307 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001304758775 1067843677 /nfs/dbraw/zinc/84/36/77/1067843677.db2.gz DHMVQOHPMKYLFH-HFZDXXHNSA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304759645 1067845197 /nfs/dbraw/zinc/84/51/97/1067845197.db2.gz KYPYQIFOXBBJOW-OYRHEFFESA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304759645 1067845202 /nfs/dbraw/zinc/84/52/02/1067845202.db2.gz KYPYQIFOXBBJOW-OYRHEFFESA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304762925 1067850776 /nfs/dbraw/zinc/85/07/76/1067850776.db2.gz HGMQDVJXCRKBPX-XMMPIXPASA-N 1 3 470.710 3.286 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304762925 1067850790 /nfs/dbraw/zinc/85/07/90/1067850790.db2.gz HGMQDVJXCRKBPX-XMMPIXPASA-N 1 3 470.710 3.286 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304764371 1067853495 /nfs/dbraw/zinc/85/34/95/1067853495.db2.gz NXVVYICVXAVKIR-UHFFFAOYSA-N 1 3 458.699 3.286 20 0 JGADHO Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001304858819 1067908800 /nfs/dbraw/zinc/90/88/00/1067908800.db2.gz AUOAYMRZVRHSPH-ROKPMTFOSA-N 1 3 457.642 3.023 20 0 JGADHO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001304858819 1067908803 /nfs/dbraw/zinc/90/88/03/1067908803.db2.gz AUOAYMRZVRHSPH-ROKPMTFOSA-N 1 3 457.642 3.023 20 0 JGADHO Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001304858815 1067908811 /nfs/dbraw/zinc/90/88/11/1067908811.db2.gz AUOAYMRZVRHSPH-JXALWOEJSA-N 1 3 457.642 3.023 20 0 JGADHO Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001304858815 1067908813 /nfs/dbraw/zinc/90/88/13/1067908813.db2.gz AUOAYMRZVRHSPH-JXALWOEJSA-N 1 3 457.642 3.023 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303464498 1067983467 /nfs/dbraw/zinc/98/34/67/1067983467.db2.gz JRPDXSWNNCAGSE-JOCHJYFZSA-N 1 3 454.598 3.087 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304979163 1068017241 /nfs/dbraw/zinc/01/72/41/1068017241.db2.gz LSESFWWZVHZENW-VVTBANEOSA-N 1 3 487.737 3.485 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304979163 1068017256 /nfs/dbraw/zinc/01/72/56/1068017256.db2.gz LSESFWWZVHZENW-VVTBANEOSA-N 1 3 487.737 3.485 20 0 JGADHO CC1CCC(N2CCN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001304979668 1068018205 /nfs/dbraw/zinc/01/82/05/1068018205.db2.gz UADHHFAHVBEVMJ-UHFFFAOYSA-N 1 3 482.677 3.214 20 0 JGADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305028724 1068086668 /nfs/dbraw/zinc/08/66/68/1068086668.db2.gz JDZUWKXCWPVEQS-VXKWHMMOSA-N 1 3 473.710 3.079 20 0 JGADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028724 1068086674 /nfs/dbraw/zinc/08/66/74/1068086674.db2.gz JDZUWKXCWPVEQS-VXKWHMMOSA-N 1 3 473.710 3.079 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305413948 1068652600 /nfs/dbraw/zinc/65/26/00/1068652600.db2.gz ZNGBADAQVOBCPA-KELBGUDLSA-N 1 3 487.737 3.293 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512604 1068755318 /nfs/dbraw/zinc/75/53/18/1068755318.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512604 1068755328 /nfs/dbraw/zinc/75/53/28/1068755328.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001305520223 1068771379 /nfs/dbraw/zinc/77/13/79/1068771379.db2.gz UOIIELMSQHTTPS-OFNKIYASSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305520223 1068771384 /nfs/dbraw/zinc/77/13/84/1068771384.db2.gz UOIIELMSQHTTPS-OFNKIYASSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538443 1068802956 /nfs/dbraw/zinc/80/29/56/1068802956.db2.gz WRQYWTKCRLHFDM-RTWAWAEBSA-N 1 3 476.710 3.371 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538444 1068803035 /nfs/dbraw/zinc/80/30/35/1068803035.db2.gz WRQYWTKCRLHFDM-SFTDATJTSA-N 1 3 476.710 3.371 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001305544137 1068819263 /nfs/dbraw/zinc/81/92/63/1068819263.db2.gz YTWMZZQITFJTLC-FCHUYYIVSA-N 1 3 473.735 3.449 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305608881 1068880391 /nfs/dbraw/zinc/88/03/91/1068880391.db2.gz VBCQRIBKTUEYJH-HXUWFJFHSA-N 1 3 488.080 3.073 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305608881 1068880405 /nfs/dbraw/zinc/88/04/05/1068880405.db2.gz VBCQRIBKTUEYJH-HXUWFJFHSA-N 1 3 488.080 3.073 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305609564 1068882523 /nfs/dbraw/zinc/88/25/23/1068882523.db2.gz WBWIXUSYZCFOMP-IBGZPJMESA-N 1 3 476.069 3.272 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305609564 1068882529 /nfs/dbraw/zinc/88/25/29/1068882529.db2.gz WBWIXUSYZCFOMP-IBGZPJMESA-N 1 3 476.069 3.272 20 0 JGADHO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001305708778 1069102076 /nfs/dbraw/zinc/10/20/76/1069102076.db2.gz YLOYYFLSYWGQQJ-QHCPKHFHSA-N 1 3 469.678 3.398 20 0 JGADHO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709132 1069102628 /nfs/dbraw/zinc/10/26/28/1069102628.db2.gz ACFVPDGLRFOFBL-RTWAWAEBSA-N 1 3 461.699 3.154 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736661 1069159110 /nfs/dbraw/zinc/15/91/10/1069159110.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305736661 1069159115 /nfs/dbraw/zinc/15/91/15/1069159115.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305737649 1069161660 /nfs/dbraw/zinc/16/16/60/1069161660.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305737649 1069161667 /nfs/dbraw/zinc/16/16/67/1069161667.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 1 3 461.699 3.380 20 0 JGADHO C[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706225 1064512495 /nfs/dbraw/zinc/51/24/95/1064512495.db2.gz QXCWAENTQUNRBQ-OAQYLSRUSA-N 1 3 459.683 3.052 20 0 JGADHO C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706225 1064512512 /nfs/dbraw/zinc/51/25/12/1064512512.db2.gz QXCWAENTQUNRBQ-OAQYLSRUSA-N 1 3 459.683 3.052 20 0 JGADHO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298882311 1064689407 /nfs/dbraw/zinc/68/94/07/1064689407.db2.gz UIQSMQSWTBBOFG-HHHXNRCGSA-N 1 3 484.689 3.142 20 0 JGADHO C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298882311 1064689409 /nfs/dbraw/zinc/68/94/09/1064689409.db2.gz UIQSMQSWTBBOFG-HHHXNRCGSA-N 1 3 484.689 3.142 20 0 JGADHO COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299858514 1065070575 /nfs/dbraw/zinc/07/05/75/1065070575.db2.gz PPFGMXYZGYPABL-FQEVSTJZSA-N 1 3 486.661 3.232 20 0 JGADHO COc1ccc(Br)c(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299973897 1065262907 /nfs/dbraw/zinc/26/29/07/1065262907.db2.gz MVEUDJFGAJNOJW-QGZVFWFLSA-N 1 3 479.467 3.444 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302091648 1066519226 /nfs/dbraw/zinc/51/92/26/1066519226.db2.gz FWSIJLAIHWBZKG-FDFHNCONSA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302091648 1066519236 /nfs/dbraw/zinc/51/92/36/1066519236.db2.gz FWSIJLAIHWBZKG-FDFHNCONSA-N 1 3 462.683 3.187 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598817 /nfs/dbraw/zinc/59/88/17/1066598817.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 1 3 473.710 3.045 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598829 /nfs/dbraw/zinc/59/88/29/1066598829.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 1 3 473.710 3.045 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001302164153 1066624454 /nfs/dbraw/zinc/62/44/54/1066624454.db2.gz JAJYHPKPIUKIEQ-XUTJKUGGSA-N 1 3 450.668 3.382 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001302201708 1066696702 /nfs/dbraw/zinc/69/67/02/1066696702.db2.gz ASDHZAJEUHNSJL-HXUWFJFHSA-N 1 3 490.643 3.305 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302201708 1066696709 /nfs/dbraw/zinc/69/67/09/1066696709.db2.gz ASDHZAJEUHNSJL-HXUWFJFHSA-N 1 3 490.643 3.305 20 0 JGADHO CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302202017 1066697441 /nfs/dbraw/zinc/69/74/41/1066697441.db2.gz ASTDKIDHIZWWOX-UHFFFAOYSA-N 1 3 461.054 3.366 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302897602 1067478612 /nfs/dbraw/zinc/47/86/12/1067478612.db2.gz YJUSCVGJSAHRGI-DNQXCXABSA-N 1 3 459.727 3.203 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304512210 1067588477 /nfs/dbraw/zinc/58/84/77/1067588477.db2.gz NOCILCYJEXJFNF-RUZDIDTESA-N 1 3 472.703 3.381 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001303184765 1067718517 /nfs/dbraw/zinc/71/85/17/1067718517.db2.gz OVYRLBBZVQDYHF-UHFFFAOYSA-N 1 3 488.702 3.001 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303184765 1067718523 /nfs/dbraw/zinc/71/85/23/1067718523.db2.gz OVYRLBBZVQDYHF-UHFFFAOYSA-N 1 3 488.702 3.001 20 0 JGADHO Cc1nc(Cc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671187 1067740328 /nfs/dbraw/zinc/74/03/28/1067740328.db2.gz UVWPUQYWMVCFGR-XXBNENTESA-N 1 3 489.734 3.300 20 0 JGADHO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303278659 1067807766 /nfs/dbraw/zinc/80/77/66/1067807766.db2.gz MOVBFXZIQUNYKV-DHIUTWEWSA-N 1 3 476.710 3.086 20 0 JGADHO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303278659 1067807777 /nfs/dbraw/zinc/80/77/77/1067807777.db2.gz MOVBFXZIQUNYKV-DHIUTWEWSA-N 1 3 476.710 3.086 20 0 JGADHO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC001303291730 1067816578 /nfs/dbraw/zinc/81/65/78/1067816578.db2.gz WXKGVXLFHZYZQC-UHFFFAOYSA-N 1 3 481.689 3.198 20 0 JGADHO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001303299699 1067824501 /nfs/dbraw/zinc/82/45/01/1067824501.db2.gz YEXWJJYSXJNYSW-QHCPKHFHSA-N 1 3 462.683 3.187 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001304758777 1067843582 /nfs/dbraw/zinc/84/35/82/1067843582.db2.gz DHMVQOHPMKYLFH-QFQXNSOFSA-N 1 3 470.710 3.428 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001304758778 1067843700 /nfs/dbraw/zinc/84/37/00/1067843700.db2.gz DHMVQOHPMKYLFH-RLWLMLJZSA-N 1 3 470.710 3.428 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317307 1067845978 /nfs/dbraw/zinc/84/59/78/1067845978.db2.gz UERVLYLKHNQQLO-OAQYLSRUSA-N 1 3 489.112 3.186 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001303317725 1067846997 /nfs/dbraw/zinc/84/69/97/1067846997.db2.gz BRJDFOHRCOYPFY-ZEQRLZLVSA-N 1 3 475.726 3.243 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303402727 1067931150 /nfs/dbraw/zinc/93/11/50/1067931150.db2.gz MLHYZHZQTLGKRG-TZIWHRDSSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303402727 1067931154 /nfs/dbraw/zinc/93/11/54/1067931154.db2.gz MLHYZHZQTLGKRG-TZIWHRDSSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303402720 1067931226 /nfs/dbraw/zinc/93/12/26/1067931226.db2.gz MLHYZHZQTLGKRG-CTNGQTDRSA-N 1 3 487.718 3.481 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303402720 1067931233 /nfs/dbraw/zinc/93/12/33/1067931233.db2.gz MLHYZHZQTLGKRG-CTNGQTDRSA-N 1 3 487.718 3.481 20 0 JGADHO C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015475 1068057944 /nfs/dbraw/zinc/05/79/44/1068057944.db2.gz JQMPQBXCQOOZDA-LEWJYISDSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015475 1068057956 /nfs/dbraw/zinc/05/79/56/1068057956.db2.gz JQMPQBXCQOOZDA-LEWJYISDSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305028722 1068086868 /nfs/dbraw/zinc/08/68/68/1068086868.db2.gz JDZUWKXCWPVEQS-FCHUYYIVSA-N 1 3 473.710 3.079 20 0 JGADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028722 1068086882 /nfs/dbraw/zinc/08/68/82/1068086882.db2.gz JDZUWKXCWPVEQS-FCHUYYIVSA-N 1 3 473.710 3.079 20 0 JGADHO C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663787 1068195538 /nfs/dbraw/zinc/19/55/38/1068195538.db2.gz FYLMLHIVUDLEBB-LEWJYISDSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303691381 1068231764 /nfs/dbraw/zinc/23/17/64/1068231764.db2.gz DKHCOKWDCGTWKE-HNNXBMFYSA-N 1 3 464.456 3.439 20 0 JGADHO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303691381 1068231772 /nfs/dbraw/zinc/23/17/72/1068231772.db2.gz DKHCOKWDCGTWKE-HNNXBMFYSA-N 1 3 464.456 3.439 20 0 JGADHO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](C)[NH+](C)C ZINC001303932540 1068591952 /nfs/dbraw/zinc/59/19/52/1068591952.db2.gz VTNSEZIYIOJSQH-SLFFLAALSA-N 1 3 474.625 3.197 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001305520224 1068771271 /nfs/dbraw/zinc/77/12/71/1068771271.db2.gz UOIIELMSQHTTPS-REWPJTCUSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305520224 1068771276 /nfs/dbraw/zinc/77/12/76/1068771276.db2.gz UOIIELMSQHTTPS-REWPJTCUSA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538441 1068803150 /nfs/dbraw/zinc/80/31/50/1068803150.db2.gz WRQYWTKCRLHFDM-LEWJYISDSA-N 1 3 476.710 3.371 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305607844 1068877291 /nfs/dbraw/zinc/87/72/91/1068877291.db2.gz ZLWWDPSAGAZHBJ-FQEVSTJZSA-N 1 3 468.650 3.110 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305607844 1068877299 /nfs/dbraw/zinc/87/72/99/1068877299.db2.gz ZLWWDPSAGAZHBJ-FQEVSTJZSA-N 1 3 468.650 3.110 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001305615349 1068892730 /nfs/dbraw/zinc/89/27/30/1068892730.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 1 3 483.709 3.101 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001305615349 1068892742 /nfs/dbraw/zinc/89/27/42/1068892742.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 1 3 483.709 3.101 20 0 JGADHO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001305708776 1069101965 /nfs/dbraw/zinc/10/19/65/1069101965.db2.gz YLOYYFLSYWGQQJ-HSZRJFAPSA-N 1 3 469.678 3.398 20 0 JGADHO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709134 1069103333 /nfs/dbraw/zinc/10/33/33/1069103333.db2.gz ACFVPDGLRFOFBL-SFTDATJTSA-N 1 3 461.699 3.154 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736663 1069159079 /nfs/dbraw/zinc/15/90/79/1069159079.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001305736663 1069159082 /nfs/dbraw/zinc/15/90/82/1069159082.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 1 3 475.726 3.483 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305778282 1069265852 /nfs/dbraw/zinc/26/58/52/1069265852.db2.gz AOZVDCYRXYBBMY-FQEVSTJZSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305778282 1069265862 /nfs/dbraw/zinc/26/58/62/1069265862.db2.gz AOZVDCYRXYBBMY-FQEVSTJZSA-N 1 3 461.699 3.237 20 0 JGADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001298674433 1064459993 /nfs/dbraw/zinc/45/99/93/1064459993.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 1 3 495.716 3.132 20 0 JGADHO CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001298674433 1064460000 /nfs/dbraw/zinc/46/00/00/1064460000.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 1 3 495.716 3.132 20 0 JGADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001298674436 1064460060 /nfs/dbraw/zinc/46/00/60/1064460060.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 1 3 495.716 3.132 20 0 JGADHO CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001298674436 1064460069 /nfs/dbraw/zinc/46/00/69/1064460069.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 1 3 495.716 3.132 20 0 JGADHO C[N@@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298881944 1064688763 /nfs/dbraw/zinc/68/87/63/1064688763.db2.gz NEJCUJWIWPYQEP-QHCPKHFHSA-N 1 3 479.094 3.211 20 0 JGADHO C[N@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001298881944 1064688766 /nfs/dbraw/zinc/68/87/66/1064688766.db2.gz NEJCUJWIWPYQEP-QHCPKHFHSA-N 1 3 479.094 3.211 20 0 JGADHO CN1CCCC(C)(C)[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885138 1064691176 /nfs/dbraw/zinc/69/11/76/1064691176.db2.gz GYYPHZHXOHTDFU-OAQYLSRUSA-N 1 3 473.710 3.193 20 0 JGADHO COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC001299858095 1065070117 /nfs/dbraw/zinc/07/01/17/1065070117.db2.gz JFCSPPKSWHHTHM-UHFFFAOYSA-N 1 3 486.661 3.377 20 0 JGADHO COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302078699 1066492172 /nfs/dbraw/zinc/49/21/72/1066492172.db2.gz LRRWTRLAQKCEGK-SFTDATJTSA-N 1 3 450.672 3.045 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302091647 1066519520 /nfs/dbraw/zinc/51/95/20/1066519520.db2.gz FWSIJLAIHWBZKG-BHIFYINESA-N 1 3 462.683 3.187 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302091647 1066519536 /nfs/dbraw/zinc/51/95/36/1066519536.db2.gz FWSIJLAIHWBZKG-BHIFYINESA-N 1 3 462.683 3.187 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706969 1066596757 /nfs/dbraw/zinc/59/67/57/1066596757.db2.gz AAUVPHPPWYSVPM-RDGATRHJSA-N 1 3 473.710 3.012 20 0 JGADHO COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301734818 1066656015 /nfs/dbraw/zinc/65/60/15/1066656015.db2.gz ROGJIDLFQUSMJO-UHFFFAOYSA-N 1 3 490.643 3.426 20 0 JGADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302305401 1066894346 /nfs/dbraw/zinc/89/43/46/1066894346.db2.gz OPXRIXIDIAEZLZ-FSSWDIPSSA-N 1 3 462.683 3.043 20 0 JGADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302305401 1066894352 /nfs/dbraw/zinc/89/43/52/1066894352.db2.gz OPXRIXIDIAEZLZ-FSSWDIPSSA-N 1 3 462.683 3.043 20 0 JGADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304029755 1067077503 /nfs/dbraw/zinc/07/75/03/1067077503.db2.gz MLASYWAQFDMJPX-WWNPGLIZSA-N 1 3 470.662 3.144 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302897603 1067478596 /nfs/dbraw/zinc/47/85/96/1067478596.db2.gz YJUSCVGJSAHRGI-RPWUZVMVSA-N 1 3 459.727 3.203 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302899328 1067481594 /nfs/dbraw/zinc/48/15/94/1067481594.db2.gz HSMFPQFAIIMPMI-XMMPIXPASA-N 1 3 459.727 3.203 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304561873 1067632242 /nfs/dbraw/zinc/63/22/42/1067632242.db2.gz RCFAIJXHLDVCEP-UKILVPOCSA-N 1 3 468.690 3.312 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182087 1067714451 /nfs/dbraw/zinc/71/44/51/1067714451.db2.gz FFWCXQQAIIJCGH-XMMPIXPASA-N 1 3 454.663 3.471 20 0 JGADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182087 1067714461 /nfs/dbraw/zinc/71/44/61/1067714461.db2.gz FFWCXQQAIIJCGH-XMMPIXPASA-N 1 3 454.663 3.471 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183280 1067715753 /nfs/dbraw/zinc/71/57/53/1067715753.db2.gz BRZVRRNUIIHKLV-RPLLCQBOSA-N 1 3 484.689 3.400 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183285 1067715893 /nfs/dbraw/zinc/71/58/93/1067715893.db2.gz BRZVRRNUIIHKLV-SQHAQQRYSA-N 1 3 484.689 3.400 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303195458 1067728785 /nfs/dbraw/zinc/72/87/85/1067728785.db2.gz FXQHYWYNMIHUFP-ZRZAMGCNSA-N 1 3 453.679 3.410 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303195458 1067728793 /nfs/dbraw/zinc/72/87/93/1067728793.db2.gz FXQHYWYNMIHUFP-ZRZAMGCNSA-N 1 3 453.679 3.410 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303195850 1067729013 /nfs/dbraw/zinc/72/90/13/1067729013.db2.gz DKFAQOFRPGTJEX-QHCPKHFHSA-N 1 3 475.081 3.147 20 0 JGADHO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303195850 1067729022 /nfs/dbraw/zinc/72/90/22/1067729022.db2.gz DKFAQOFRPGTJEX-QHCPKHFHSA-N 1 3 475.081 3.147 20 0 JGADHO CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303261845 1067788972 /nfs/dbraw/zinc/78/89/72/1067788972.db2.gz YUJWOJSRACBWSY-NRFANRHFSA-N 1 3 487.718 3.322 20 0 JGADHO CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303261845 1067788980 /nfs/dbraw/zinc/78/89/80/1067788980.db2.gz YUJWOJSRACBWSY-NRFANRHFSA-N 1 3 487.718 3.322 20 0 JGADHO CC(C)[N@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303268678 1067796944 /nfs/dbraw/zinc/79/69/44/1067796944.db2.gz KTTUDURDKDAWDH-UHFFFAOYSA-N 1 3 474.625 3.028 20 0 JGADHO CC(C)[N@@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303268678 1067796950 /nfs/dbraw/zinc/79/69/50/1067796950.db2.gz KTTUDURDKDAWDH-UHFFFAOYSA-N 1 3 474.625 3.028 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001304762921 1067850424 /nfs/dbraw/zinc/85/04/24/1067850424.db2.gz HDIVKUHHZBPTIV-NRFANRHFSA-N 1 3 470.710 3.430 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304762921 1067850427 /nfs/dbraw/zinc/85/04/27/1067850427.db2.gz HDIVKUHHZBPTIV-NRFANRHFSA-N 1 3 470.710 3.430 20 0 JGADHO Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001304858822 1067908796 /nfs/dbraw/zinc/90/87/96/1067908796.db2.gz AUOAYMRZVRHSPH-YOSAUDMPSA-N 1 3 457.642 3.023 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001303401964 1067929621 /nfs/dbraw/zinc/92/96/21/1067929621.db2.gz GVYZQAVYWGAHBT-UHFFFAOYSA-N 1 3 491.750 3.089 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303465464 1067984825 /nfs/dbraw/zinc/98/48/25/1067984825.db2.gz QAOKOLRXGKINHF-QFIPXVFZSA-N 1 3 452.582 3.144 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501210 1068029071 /nfs/dbraw/zinc/02/90/71/1068029071.db2.gz GAKJBILCTXZSHF-BKMJKUGQSA-N 1 3 476.710 3.360 20 0 JGADHO CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303501892 1068030942 /nfs/dbraw/zinc/03/09/42/1068030942.db2.gz JXQHVBUGQUTUKP-VWLOTQADSA-N 1 3 462.683 3.114 20 0 JGADHO C[C@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015479 1068057885 /nfs/dbraw/zinc/05/78/85/1068057885.db2.gz JQMPQBXCQOOZDA-SFTDATJTSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305015479 1068057900 /nfs/dbraw/zinc/05/79/00/1068057900.db2.gz JQMPQBXCQOOZDA-SFTDATJTSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028725 1068086934 /nfs/dbraw/zinc/08/69/34/1068086934.db2.gz JDZUWKXCWPVEQS-YADHBBJMSA-N 1 3 473.710 3.079 20 0 JGADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028725 1068086945 /nfs/dbraw/zinc/08/69/45/1068086945.db2.gz JDZUWKXCWPVEQS-YADHBBJMSA-N 1 3 473.710 3.079 20 0 JGADHO CC1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001305103360 1068170483 /nfs/dbraw/zinc/17/04/83/1068170483.db2.gz HFQBNISGLSTHDU-UHFFFAOYSA-N 1 3 473.710 3.081 20 0 JGADHO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932541 1068591819 /nfs/dbraw/zinc/59/18/19/1068591819.db2.gz VTNSEZIYIOJSQH-UFYCRDLUSA-N 1 3 474.625 3.197 20 0 JGADHO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932538 1068591927 /nfs/dbraw/zinc/59/19/27/1068591927.db2.gz VTNSEZIYIOJSQH-AABGKKOBSA-N 1 3 474.625 3.197 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512607 1068755519 /nfs/dbraw/zinc/75/55/19/1068755519.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512607 1068755523 /nfs/dbraw/zinc/75/55/23/1068755523.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 1 3 481.689 3.055 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305603757 1068868206 /nfs/dbraw/zinc/86/82/06/1068868206.db2.gz BZESTOBGJSGGAC-LJQANCHMSA-N 1 3 456.635 3.367 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305603757 1068868216 /nfs/dbraw/zinc/86/82/16/1068868216.db2.gz BZESTOBGJSGGAC-LJQANCHMSA-N 1 3 456.635 3.367 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305603756 1068868326 /nfs/dbraw/zinc/86/83/26/1068868326.db2.gz BZESTOBGJSGGAC-IBGZPJMESA-N 1 3 456.635 3.367 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305603756 1068868332 /nfs/dbraw/zinc/86/83/32/1068868332.db2.gz BZESTOBGJSGGAC-IBGZPJMESA-N 1 3 456.635 3.367 20 0 JGADHO CC[C@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001305611892 1068886931 /nfs/dbraw/zinc/88/69/31/1068886931.db2.gz AHEZSSCRTDZTRO-IBGZPJMESA-N 1 3 466.634 3.102 20 0 JGADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001305611892 1068886940 /nfs/dbraw/zinc/88/69/40/1068886940.db2.gz AHEZSSCRTDZTRO-IBGZPJMESA-N 1 3 466.634 3.102 20 0 JGADHO CC[C@@H](c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001305664142 1069005901 /nfs/dbraw/zinc/00/59/01/1069005901.db2.gz NZEZFPYWGOSNLE-ZJSXRUAMSA-N 1 3 454.663 3.319 20 0 JGADHO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1)[NH+](C)C ZINC001305706717 1069096333 /nfs/dbraw/zinc/09/63/33/1069096333.db2.gz OTAOUYGMSLFUBH-JOCHJYFZSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744094 1069182601 /nfs/dbraw/zinc/18/26/01/1069182601.db2.gz ZTSHTHPOKHEVMM-SFTDATJTSA-N 1 3 461.699 3.237 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCCN1CC ZINC001305769531 1069245212 /nfs/dbraw/zinc/24/52/12/1069245212.db2.gz HDTWQYDOBBCNGB-YADHBBJMSA-N 1 3 459.683 3.136 20 0 JGADHO CC(C)N(c1ccc(CN(C)C2CC2)cn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164996887 722220515 /nfs/dbraw/zinc/22/05/15/722220515.db2.gz BSPGUCVELCGPBE-UHFFFAOYSA-N 1 3 462.642 3.445 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302001579 1066335447 /nfs/dbraw/zinc/33/54/47/1066335447.db2.gz TZDOHPZXPALOJT-YDLSIGKMSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302001579 1066335462 /nfs/dbraw/zinc/33/54/62/1066335462.db2.gz TZDOHPZXPALOJT-YDLSIGKMSA-N 1 3 474.625 3.117 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301708298 1066600055 /nfs/dbraw/zinc/60/00/55/1066600055.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 1 3 487.737 3.075 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301708298 1066600058 /nfs/dbraw/zinc/60/00/58/1066600058.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 1 3 487.737 3.075 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709048 1066601955 /nfs/dbraw/zinc/60/19/55/1066601955.db2.gz RUKPQQUVXLEWDI-ZCYQVOJMSA-N 1 3 487.737 3.122 20 0 JGADHO COCC[N@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301719564 1066621399 /nfs/dbraw/zinc/62/13/99/1066621399.db2.gz RUSNDKXXXNKKDM-UHFFFAOYSA-N 1 3 481.645 3.489 20 0 JGADHO COCC[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301719564 1066621405 /nfs/dbraw/zinc/62/14/05/1066621405.db2.gz RUSNDKXXXNKKDM-UHFFFAOYSA-N 1 3 481.645 3.489 20 0 JGADHO COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301733526 1066653862 /nfs/dbraw/zinc/65/38/62/1066653862.db2.gz GSVHUPSWBZAKGA-UHFFFAOYSA-N 1 3 458.626 3.041 20 0 JGADHO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001302817802 1067405209 /nfs/dbraw/zinc/40/52/09/1067405209.db2.gz GBFKRHIYCWCQBJ-OAQYLSRUSA-N 1 3 490.643 3.424 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304385670 1067438490 /nfs/dbraw/zinc/43/84/90/1067438490.db2.gz ZSCRCOGUVFHAOP-FQEVSTJZSA-N 1 3 453.635 3.162 20 0 JGADHO CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302897601 1067478637 /nfs/dbraw/zinc/47/86/37/1067478637.db2.gz YJUSCVGJSAHRGI-BJKOFHAPSA-N 1 3 459.727 3.203 20 0 JGADHO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302961976 1067533238 /nfs/dbraw/zinc/53/32/38/1067533238.db2.gz RBSUAOQIGWNBIM-XMMPIXPASA-N 1 3 481.733 3.461 20 0 JGADHO CC(C)[N@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794569 /nfs/dbraw/zinc/79/45/69/1067794569.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 1 3 468.690 3.483 20 0 JGADHO CC(C)[N@@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794578 /nfs/dbraw/zinc/79/45/78/1067794578.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 1 3 468.690 3.483 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303405184 1067933368 /nfs/dbraw/zinc/93/33/68/1067933368.db2.gz KHKJFDKACSFAEI-UHFFFAOYSA-N 1 3 467.662 3.003 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303405184 1067933370 /nfs/dbraw/zinc/93/33/70/1067933370.db2.gz KHKJFDKACSFAEI-UHFFFAOYSA-N 1 3 467.662 3.003 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001303410138 1067936650 /nfs/dbraw/zinc/93/66/50/1067936650.db2.gz QAXZHNPOGNJWAK-JOCHJYFZSA-N 1 3 483.705 3.495 20 0 JGADHO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001303467888 1067987033 /nfs/dbraw/zinc/98/70/33/1067987033.db2.gz MEOBDXLYFRKWDV-DHIUTWEWSA-N 1 3 489.753 3.190 20 0 JGADHO CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304980175 1068018886 /nfs/dbraw/zinc/01/88/86/1068018886.db2.gz GPZMLCRJAIZZOX-XPPIMPSXSA-N 1 3 473.710 3.045 20 0 JGADHO C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982383 1068023662 /nfs/dbraw/zinc/02/36/62/1068023662.db2.gz AHHSFMWPHBMMAK-AJTFRIOCSA-N 1 3 487.737 3.122 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104259 1068171995 /nfs/dbraw/zinc/17/19/95/1068171995.db2.gz SRIVLFRPJWIPNB-UHFFFAOYSA-N 1 3 461.699 3.097 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456486 1068695776 /nfs/dbraw/zinc/69/57/76/1068695776.db2.gz FOEDTSQAHKAXQV-QTJGBDASSA-N 1 3 453.679 3.311 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305544333 1068820512 /nfs/dbraw/zinc/82/05/12/1068820512.db2.gz OWMIXMIEMRCHJB-IFMALSPDSA-N 1 3 458.626 3.221 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305609565 1068882553 /nfs/dbraw/zinc/88/25/53/1068882553.db2.gz WBWIXUSYZCFOMP-LJQANCHMSA-N 1 3 476.069 3.272 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305609565 1068882561 /nfs/dbraw/zinc/88/25/61/1068882561.db2.gz WBWIXUSYZCFOMP-LJQANCHMSA-N 1 3 476.069 3.272 20 0 JGADHO CC[C@@H](c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001305664141 1069005972 /nfs/dbraw/zinc/00/59/72/1069005972.db2.gz NZEZFPYWGOSNLE-XUZZJYLKSA-N 1 3 454.663 3.319 20 0 JGADHO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709129 1069102711 /nfs/dbraw/zinc/10/27/11/1069102711.db2.gz ACFVPDGLRFOFBL-LEWJYISDSA-N 1 3 461.699 3.154 20 0 JGADHO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001305710903 1069108885 /nfs/dbraw/zinc/10/88/85/1069108885.db2.gz XQPGCLYEYYJPGJ-RPBOFIJWSA-N 1 3 495.716 3.363 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305778695 1069266807 /nfs/dbraw/zinc/26/68/07/1069266807.db2.gz HTRQZSOPDFAOCW-UHFFFAOYSA-N 1 3 461.699 3.239 20 0 JGADHO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)CC3)cs1 ZINC001164691267 719813475 /nfs/dbraw/zinc/81/34/75/719813475.db2.gz CIGHCGLQNHLYRB-UHFFFAOYSA-N 1 3 468.675 3.472 20 0 JGADHO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)CC3)cs1 ZINC001164691267 719813476 /nfs/dbraw/zinc/81/34/76/719813476.db2.gz CIGHCGLQNHLYRB-UHFFFAOYSA-N 1 3 468.675 3.472 20 0 JGADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164799091 721518924 /nfs/dbraw/zinc/51/89/24/721518924.db2.gz WPMXYQKXXKHUMK-UHFFFAOYSA-N 1 3 482.702 3.114 20 0 JGADHO C[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706224 1064511344 /nfs/dbraw/zinc/51/13/44/1064511344.db2.gz QXCWAENTQUNRBQ-NRFANRHFSA-N 1 3 459.683 3.052 20 0 JGADHO C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706224 1064511357 /nfs/dbraw/zinc/51/13/57/1064511357.db2.gz QXCWAENTQUNRBQ-NRFANRHFSA-N 1 3 459.683 3.052 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302001576 1066335892 /nfs/dbraw/zinc/33/58/92/1066335892.db2.gz TZDOHPZXPALOJT-JFSTXAPLSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302001576 1066335908 /nfs/dbraw/zinc/33/59/08/1066335908.db2.gz TZDOHPZXPALOJT-JFSTXAPLSA-N 1 3 474.625 3.117 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706967 1066597075 /nfs/dbraw/zinc/59/70/75/1066597075.db2.gz AAUVPHPPWYSVPM-DHLKQENFSA-N 1 3 473.710 3.012 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707689 1066598090 /nfs/dbraw/zinc/59/80/90/1066598090.db2.gz FBESJJZVEFQDAC-ZJSXRUAMSA-N 1 3 473.710 3.043 20 0 JGADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707686 1066598549 /nfs/dbraw/zinc/59/85/49/1066598549.db2.gz FBESJJZVEFQDAC-QPPBQGQZSA-N 1 3 473.710 3.043 20 0 JGADHO COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731016 1066649879 /nfs/dbraw/zinc/64/98/79/1066649879.db2.gz IWDBYMYSCNTNAE-GOTSBHOMSA-N 1 3 462.683 3.190 20 0 JGADHO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304029753 1067077544 /nfs/dbraw/zinc/07/75/44/1067077544.db2.gz MLASYWAQFDMJPX-MDNUFGMLSA-N 1 3 470.662 3.144 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175596 1067224745 /nfs/dbraw/zinc/22/47/45/1067224745.db2.gz VZFJCTMSAAFGHP-RUZDIDTESA-N 1 3 497.732 3.419 20 0 JGADHO Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175596 1067224747 /nfs/dbraw/zinc/22/47/47/1067224747.db2.gz VZFJCTMSAAFGHP-RUZDIDTESA-N 1 3 497.732 3.419 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CCC3(C)C)CC2)CC1 ZINC001302656052 1067284249 /nfs/dbraw/zinc/28/42/49/1067284249.db2.gz AVBGVHRGLGOKSU-UHFFFAOYSA-N 1 3 450.668 3.431 20 0 JGADHO Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304417861 1067490716 /nfs/dbraw/zinc/49/07/16/1067490716.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 1 3 470.662 3.195 20 0 JGADHO Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC[N@H+](C)C(C)C)cc1 ZINC001304417861 1067490721 /nfs/dbraw/zinc/49/07/21/1067490721.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 1 3 470.662 3.195 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)c1 ZINC001304511838 1067587835 /nfs/dbraw/zinc/58/78/35/1067587835.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 1 3 470.662 3.195 20 0 JGADHO Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC[N@H+](C)C(C)C)c1 ZINC001304511838 1067587844 /nfs/dbraw/zinc/58/78/44/1067587844.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 1 3 470.662 3.195 20 0 JGADHO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304558672 1067627584 /nfs/dbraw/zinc/62/75/84/1067627584.db2.gz BSIQDESHZXMDHM-VWLOTQADSA-N 1 3 456.704 3.393 20 0 JGADHO CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001303182456 1067714358 /nfs/dbraw/zinc/71/43/58/1067714358.db2.gz LOAHIFXEHGTAID-UHFFFAOYSA-N 1 3 453.679 3.392 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC[NH+](C)C)CC1 ZINC001303184546 1067718036 /nfs/dbraw/zinc/71/80/36/1067718036.db2.gz SUGHQRYAUYEWEK-HXUWFJFHSA-N 1 3 474.719 3.488 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185147 1067719529 /nfs/dbraw/zinc/71/95/29/1067719529.db2.gz UQHYOYIVSFNPRD-PLXFJCCSSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185147 1067719538 /nfs/dbraw/zinc/71/95/38/1067719538.db2.gz UQHYOYIVSFNPRD-PLXFJCCSSA-N 1 3 476.710 3.217 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001303185164 1067719640 /nfs/dbraw/zinc/71/96/40/1067719640.db2.gz UYINFZFZWDQSLX-IBGZPJMESA-N 1 3 464.456 3.154 20 0 JGADHO CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001303199023 1067734960 /nfs/dbraw/zinc/73/49/60/1067734960.db2.gz SOZCCDFOYIEXAQ-UHFFFAOYSA-N 1 3 487.718 3.312 20 0 JGADHO CC(C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303275747 1067803595 /nfs/dbraw/zinc/80/35/95/1067803595.db2.gz FURNYZPHSHHXKX-UHFFFAOYSA-N 1 3 476.616 3.036 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303275747 1067803603 /nfs/dbraw/zinc/80/36/03/1067803603.db2.gz FURNYZPHSHHXKX-UHFFFAOYSA-N 1 3 476.616 3.036 20 0 JGADHO CC(C)[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001303305187 1067832809 /nfs/dbraw/zinc/83/28/09/1067832809.db2.gz OTVHLCNFBCJIEI-FQEVSTJZSA-N 1 3 487.718 3.311 20 0 JGADHO CC(C)[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001303305187 1067832823 /nfs/dbraw/zinc/83/28/23/1067832823.db2.gz OTVHLCNFBCJIEI-FQEVSTJZSA-N 1 3 487.718 3.311 20 0 JGADHO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CC1 ZINC001303305655 1067833917 /nfs/dbraw/zinc/83/39/17/1067833917.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 1 3 476.467 3.229 20 0 JGADHO CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CC1 ZINC001303305655 1067833923 /nfs/dbraw/zinc/83/39/23/1067833923.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 1 3 476.467 3.229 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001303317722 1067847128 /nfs/dbraw/zinc/84/71/28/1067847128.db2.gz BRJDFOHRCOYPFY-BJKOFHAPSA-N 1 3 475.726 3.243 20 0 JGADHO Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001304825026 1067894332 /nfs/dbraw/zinc/89/43/32/1067894332.db2.gz FPOSOYFRSHOBLS-URXFXBBRSA-N 1 3 453.679 3.321 20 0 JGADHO Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001304861408 1067910496 /nfs/dbraw/zinc/91/04/96/1067910496.db2.gz SPTZFHQVQOHRQJ-QFIPXVFZSA-N 1 3 453.679 3.355 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001303405366 1067933705 /nfs/dbraw/zinc/93/37/05/1067933705.db2.gz RGLWOAYXEUOUOX-UHFFFAOYSA-N 1 3 467.662 3.003 20 0 JGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910812 1067954136 /nfs/dbraw/zinc/95/41/36/1067954136.db2.gz IZASEUSJXVARHQ-YPAWHYETSA-N 1 3 460.711 3.491 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503274 1068034434 /nfs/dbraw/zinc/03/44/34/1068034434.db2.gz BZSDCSBYTOKMEF-QFQXNSOFSA-N 1 3 476.710 3.360 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503274 1068034443 /nfs/dbraw/zinc/03/44/43/1068034443.db2.gz BZSDCSBYTOKMEF-QFQXNSOFSA-N 1 3 476.710 3.360 20 0 JGADHO C[C@H]1CCC[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001305042702 1068098317 /nfs/dbraw/zinc/09/83/17/1068098317.db2.gz KICDFIVSVCQGLW-QHCPKHFHSA-N 1 3 487.737 3.471 20 0 JGADHO C[C@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001305042702 1068098332 /nfs/dbraw/zinc/09/83/32/1068098332.db2.gz KICDFIVSVCQGLW-QHCPKHFHSA-N 1 3 487.737 3.471 20 0 JGADHO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305112214 1068186064 /nfs/dbraw/zinc/18/60/64/1068186064.db2.gz KHSIHIKOMMXHPV-VSKRKVRLSA-N 1 3 476.710 3.012 20 0 JGADHO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303663717 1068195524 /nfs/dbraw/zinc/19/55/24/1068195524.db2.gz OQFBCWJWIBNLKQ-JOCHJYFZSA-N 1 3 481.689 3.345 20 0 JGADHO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303663717 1068195527 /nfs/dbraw/zinc/19/55/27/1068195527.db2.gz OQFBCWJWIBNLKQ-JOCHJYFZSA-N 1 3 481.689 3.345 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305413949 1068652633 /nfs/dbraw/zinc/65/26/33/1068652633.db2.gz ZNGBADAQVOBCPA-KNAFXUBQSA-N 1 3 487.737 3.293 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455606 1068694522 /nfs/dbraw/zinc/69/45/22/1068694522.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455606 1068694524 /nfs/dbraw/zinc/69/45/24/1068694524.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458111 1068699779 /nfs/dbraw/zinc/69/97/79/1068699779.db2.gz MKDWWOVXOGWGRZ-XZOQPEGZSA-N 1 3 489.753 3.286 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305520221 1068771215 /nfs/dbraw/zinc/77/12/15/1068771215.db2.gz UOIIELMSQHTTPS-NFBKMPQASA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305520221 1068771224 /nfs/dbraw/zinc/77/12/24/1068771224.db2.gz UOIIELMSQHTTPS-NFBKMPQASA-N 1 3 454.663 3.327 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305544336 1068821070 /nfs/dbraw/zinc/82/10/70/1068821070.db2.gz OWMIXMIEMRCHJB-UNMCSNQZSA-N 1 3 458.626 3.221 20 0 JGADHO CC[C@H](c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001305664140 1069006076 /nfs/dbraw/zinc/00/60/76/1069006076.db2.gz NZEZFPYWGOSNLE-URXFXBBRSA-N 1 3 454.663 3.319 20 0 JGADHO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001305710901 1069108992 /nfs/dbraw/zinc/10/89/92/1069108992.db2.gz XQPGCLYEYYJPGJ-JWQCQUIFSA-N 1 3 495.716 3.363 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305785747 1069287838 /nfs/dbraw/zinc/28/78/38/1069287838.db2.gz KJTRFMCQBVLOCL-NRFANRHFSA-N 1 3 461.699 3.095 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305785747 1069287841 /nfs/dbraw/zinc/28/78/41/1069287841.db2.gz KJTRFMCQBVLOCL-NRFANRHFSA-N 1 3 461.699 3.095 20 0 JGADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c21 ZINC001164406959 718863473 /nfs/dbraw/zinc/86/34/73/718863473.db2.gz HXRVJIWCZRSIEA-TZIWHRDSSA-N 1 3 483.012 3.211 20 0 JGADHO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1 ZINC001164783167 721373255 /nfs/dbraw/zinc/37/32/55/721373255.db2.gz NUYVPNMKUMMSHF-AREMUKBSSA-N 1 3 469.630 3.278 20 0 JGADHO c1cc(OCC[NH+]2CCCC2)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164963297 722058883 /nfs/dbraw/zinc/05/88/83/722058883.db2.gz VWBAIZUCDULJLB-UHFFFAOYSA-N 1 3 451.615 3.070 20 0 JGADHO CC(C)CN(c1cc(CN(C)C)ccn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967715 722078710 /nfs/dbraw/zinc/07/87/10/722078710.db2.gz KEVHNZZOIFCBDK-UHFFFAOYSA-N 1 3 450.631 3.257 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CC[NH+]2CCCC2)cc1C ZINC001492265845 1065358908 /nfs/dbraw/zinc/35/89/08/1065358908.db2.gz FMDPDZDEAVWRNK-UHFFFAOYSA-N 1 3 453.635 3.021 20 0 JGADHO Cc1ccc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492359251 1065420716 /nfs/dbraw/zinc/42/07/16/1065420716.db2.gz HWJAYQORZVEWRP-RPWUZVMVSA-N 1 3 483.705 3.029 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302001578 1066335694 /nfs/dbraw/zinc/33/56/94/1066335694.db2.gz TZDOHPZXPALOJT-VKGYTVAMSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302001578 1066335712 /nfs/dbraw/zinc/33/57/12/1066335712.db2.gz TZDOHPZXPALOJT-VKGYTVAMSA-N 1 3 474.625 3.117 20 0 JGADHO COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302083412 1066504629 /nfs/dbraw/zinc/50/46/29/1066504629.db2.gz ZVFUUCBNOJTTTC-HXUWFJFHSA-N 1 3 458.651 3.033 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709045 1066602104 /nfs/dbraw/zinc/60/21/04/1066602104.db2.gz RUKPQQUVXLEWDI-ILBGXUMGSA-N 1 3 487.737 3.122 20 0 JGADHO COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731015 1066650001 /nfs/dbraw/zinc/65/00/01/1066650001.db2.gz IWDBYMYSCNTNAE-DHIUTWEWSA-N 1 3 462.683 3.190 20 0 JGADHO Cc1ccccc1-c1nnc(N2CCN(C(C)C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304537107 1067608598 /nfs/dbraw/zinc/60/85/98/1067608598.db2.gz LGWJXSQIBRDNAF-UHFFFAOYSA-N 1 3 453.679 3.058 20 0 JGADHO CC(C)CC[NH+]1CCC(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001303091082 1067627862 /nfs/dbraw/zinc/62/78/62/1067627862.db2.gz LMOHASBJVZQDCY-UHFFFAOYSA-N 1 3 487.737 3.078 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183278 1067715768 /nfs/dbraw/zinc/71/57/68/1067715768.db2.gz BRZVRRNUIIHKLV-IGKIAQTJSA-N 1 3 484.689 3.400 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303188711 1067722812 /nfs/dbraw/zinc/72/28/12/1067722812.db2.gz HGDRFMPETDQGKY-JOCHJYFZSA-N 1 3 464.662 3.367 20 0 JGADHO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303188711 1067722820 /nfs/dbraw/zinc/72/28/20/1067722820.db2.gz HGDRFMPETDQGKY-JOCHJYFZSA-N 1 3 464.662 3.367 20 0 JGADHO CC(C)C[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001303196943 1067731608 /nfs/dbraw/zinc/73/16/08/1067731608.db2.gz QKZYBHNPUNMYJH-XMMPIXPASA-N 1 3 465.621 3.484 20 0 JGADHO CC(C)[N@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264190 1067791536 /nfs/dbraw/zinc/79/15/36/1067791536.db2.gz BKOAGWOHJWOFBE-JOCHJYFZSA-N 1 3 456.635 3.441 20 0 JGADHO CC(C)[N@@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303264190 1067791542 /nfs/dbraw/zinc/79/15/42/1067791542.db2.gz BKOAGWOHJWOFBE-JOCHJYFZSA-N 1 3 456.635 3.441 20 0 JGADHO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303267754 1067794874 /nfs/dbraw/zinc/79/48/74/1067794874.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 1 3 460.692 3.350 20 0 JGADHO CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303267754 1067794882 /nfs/dbraw/zinc/79/48/82/1067794882.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 1 3 460.692 3.350 20 0 JGADHO CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804554 /nfs/dbraw/zinc/80/45/54/1067804554.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 1 3 458.626 3.038 20 0 JGADHO CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804561 /nfs/dbraw/zinc/80/45/61/1067804561.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 1 3 458.626 3.038 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001303276966 1067804656 /nfs/dbraw/zinc/80/46/56/1067804656.db2.gz PWCNCVVKYLTSHG-NRFANRHFSA-N 1 3 489.659 3.092 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001303276966 1067804660 /nfs/dbraw/zinc/80/46/60/1067804660.db2.gz PWCNCVVKYLTSHG-NRFANRHFSA-N 1 3 489.659 3.092 20 0 JGADHO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001304758776 1067843530 /nfs/dbraw/zinc/84/35/30/1067843530.db2.gz DHMVQOHPMKYLFH-LVXARBLLSA-N 1 3 470.710 3.428 20 0 JGADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303316850 1067844930 /nfs/dbraw/zinc/84/49/30/1067844930.db2.gz KXDHMDGGUBCIHH-OAQYLSRUSA-N 1 3 471.669 3.277 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303366207 1067894173 /nfs/dbraw/zinc/89/41/73/1067894173.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 1 3 461.699 3.093 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303366207 1067894183 /nfs/dbraw/zinc/89/41/83/1067894183.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 1 3 461.699 3.093 20 0 JGADHO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001304856539 1067906461 /nfs/dbraw/zinc/90/64/61/1067906461.db2.gz QKWJTGYLEZDYPO-DEOSSOPVSA-N 1 3 457.642 3.023 20 0 JGADHO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303691383 1068231694 /nfs/dbraw/zinc/23/16/94/1068231694.db2.gz DKHCOKWDCGTWKE-OAHLLOKOSA-N 1 3 464.456 3.439 20 0 JGADHO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303691383 1068231707 /nfs/dbraw/zinc/23/17/07/1068231707.db2.gz DKHCOKWDCGTWKE-OAHLLOKOSA-N 1 3 464.456 3.439 20 0 JGADHO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CN2CCOCC2)CC1)[NH+](C)C ZINC001303692280 1068233636 /nfs/dbraw/zinc/23/36/36/1068233636.db2.gz UHXDXCYTTRHSCZ-GOSISDBHSA-N 1 3 491.478 3.206 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305408890 1068648196 /nfs/dbraw/zinc/64/81/96/1068648196.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305408890 1068648199 /nfs/dbraw/zinc/64/81/99/1068648199.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 1 3 473.710 3.045 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455604 1068694633 /nfs/dbraw/zinc/69/46/33/1068694633.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455604 1068694638 /nfs/dbraw/zinc/69/46/38/1068694638.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 1 3 453.679 3.140 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458106 1068699887 /nfs/dbraw/zinc/69/98/87/1068699887.db2.gz MKDWWOVXOGWGRZ-DHIUTWEWSA-N 1 3 489.753 3.286 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738045 1069161436 /nfs/dbraw/zinc/16/14/36/1069161436.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738045 1069161444 /nfs/dbraw/zinc/16/14/44/1069161444.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 1 3 461.699 3.380 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305785166 1069284624 /nfs/dbraw/zinc/28/46/24/1069284624.db2.gz IKJGYHSELGZJGH-QFIPXVFZSA-N 1 3 459.683 3.136 20 0 JGADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305785166 1069284636 /nfs/dbraw/zinc/28/46/36/1069284636.db2.gz IKJGYHSELGZJGH-QFIPXVFZSA-N 1 3 459.683 3.136 20 0 JGADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c21 ZINC001164406924 718863462 /nfs/dbraw/zinc/86/34/62/718863462.db2.gz HXRVJIWCZRSIEA-CTNGQTDRSA-N 1 3 483.012 3.211 20 0 JGADHO CC[C@@H](Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851282 1069405359 /nfs/dbraw/zinc/40/53/59/1069405359.db2.gz ZSHJOYUFQVIXOH-SQJMNOBHSA-N 1 3 462.683 3.114 20 0 JGADHO CC[C@H](Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851280 1069405399 /nfs/dbraw/zinc/40/53/99/1069405399.db2.gz ZSHJOYUFQVIXOH-PXDATVDWSA-N 1 3 462.683 3.114 20 0 JGADHO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299951756 1065229803 /nfs/dbraw/zinc/22/98/03/1065229803.db2.gz KCYPGODCWBPNQA-UHFFFAOYSA-N 1 3 458.651 3.328 20 0 JGADHO COc1ccc(Br)c(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299973896 1065262926 /nfs/dbraw/zinc/26/29/26/1065262926.db2.gz MVEUDJFGAJNOJW-KRWDZBQOSA-N 1 3 479.467 3.444 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492251178 1065352021 /nfs/dbraw/zinc/35/20/21/1065352021.db2.gz XEJMIKXXXZESAP-UHFFFAOYSA-N 1 3 497.688 3.036 20 0 JGADHO Cc1ccc(NC(=O)c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492251178 1065352031 /nfs/dbraw/zinc/35/20/31/1065352031.db2.gz XEJMIKXXXZESAP-UHFFFAOYSA-N 1 3 497.688 3.036 20 0 JGADHO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492384954 1065452085 /nfs/dbraw/zinc/45/20/85/1065452085.db2.gz NAXMIBUCFFXSOK-VWLOTQADSA-N 1 3 472.703 3.381 20 0 JGADHO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492384953 1065452167 /nfs/dbraw/zinc/45/21/67/1065452167.db2.gz NAXMIBUCFFXSOK-RUZDIDTESA-N 1 3 472.703 3.381 20 0 JGADHO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492386175 1065454642 /nfs/dbraw/zinc/45/46/42/1065454642.db2.gz YUJWQQFNJAVLGO-UHFFFAOYSA-N 1 3 484.689 3.099 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066598996 /nfs/dbraw/zinc/59/89/96/1066598996.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 1 3 473.710 3.045 20 0 JGADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066599007 /nfs/dbraw/zinc/59/90/07/1066599007.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 1 3 473.710 3.045 20 0 JGADHO COCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301732130 1066652138 /nfs/dbraw/zinc/65/21/38/1066652138.db2.gz RFLFFMZJLPQPHX-UHFFFAOYSA-N 1 3 467.618 3.099 20 0 JGADHO COCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301732130 1066652140 /nfs/dbraw/zinc/65/21/40/1066652140.db2.gz RFLFFMZJLPQPHX-UHFFFAOYSA-N 1 3 467.618 3.099 20 0 JGADHO CC(C)C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001302815814 1067402904 /nfs/dbraw/zinc/40/29/04/1067402904.db2.gz BMKXFCWGWLVSGV-IBGZPJMESA-N 1 3 480.661 3.491 20 0 JGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383546 1067432890 /nfs/dbraw/zinc/43/28/90/1067432890.db2.gz ZYFOGZBLDCXWLD-NRFANRHFSA-N 1 3 456.631 3.069 20 0 JGADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302948575 1067521973 /nfs/dbraw/zinc/52/19/73/1067521973.db2.gz XQSFRTVSUKFIDG-QHCPKHFHSA-N 1 3 454.663 3.012 20 0 JGADHO CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302948575 1067521978 /nfs/dbraw/zinc/52/19/78/1067521978.db2.gz XQSFRTVSUKFIDG-QHCPKHFHSA-N 1 3 454.663 3.012 20 0 JGADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183283 1067715811 /nfs/dbraw/zinc/71/58/11/1067715811.db2.gz BRZVRRNUIIHKLV-SHQCIBLASA-N 1 3 484.689 3.400 20 0 JGADHO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303254887 1067780472 /nfs/dbraw/zinc/78/04/72/1067780472.db2.gz OEPIYCQWYVBDBG-UHFFFAOYSA-N 1 3 481.689 3.210 20 0 JGADHO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303254887 1067780480 /nfs/dbraw/zinc/78/04/80/1067780480.db2.gz OEPIYCQWYVBDBG-UHFFFAOYSA-N 1 3 481.689 3.210 20 0 JGADHO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001303299698 1067824462 /nfs/dbraw/zinc/82/44/62/1067824462.db2.gz YEXWJJYSXJNYSW-HSZRJFAPSA-N 1 3 462.683 3.187 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001303316543 1067843663 /nfs/dbraw/zinc/84/36/63/1067843663.db2.gz CZUMTTIEAXRLMT-QHCPKHFHSA-N 1 3 459.727 3.445 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001303316543 1067843671 /nfs/dbraw/zinc/84/36/71/1067843671.db2.gz CZUMTTIEAXRLMT-QHCPKHFHSA-N 1 3 459.727 3.445 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316607 1067843831 /nfs/dbraw/zinc/84/38/31/1067843831.db2.gz GPFDXQQCEZSHDO-FCHUYYIVSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316607 1067843842 /nfs/dbraw/zinc/84/38/42/1067843842.db2.gz GPFDXQQCEZSHDO-FCHUYYIVSA-N 1 3 459.727 3.301 20 0 JGADHO CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303316849 1067844546 /nfs/dbraw/zinc/84/45/46/1067844546.db2.gz KXDHMDGGUBCIHH-NRFANRHFSA-N 1 3 471.669 3.277 20 0 JGADHO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001304856548 1067906386 /nfs/dbraw/zinc/90/63/86/1067906386.db2.gz QKWJTGYLEZDYPO-XMMPIXPASA-N 1 3 457.642 3.023 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303405118 1067933307 /nfs/dbraw/zinc/93/33/07/1067933307.db2.gz IATKNIDRIGEKCX-OAQYLSRUSA-N 1 3 459.683 3.136 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303405118 1067933311 /nfs/dbraw/zinc/93/33/11/1067933311.db2.gz IATKNIDRIGEKCX-OAQYLSRUSA-N 1 3 459.683 3.136 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303404813 1067933357 /nfs/dbraw/zinc/93/33/57/1067933357.db2.gz CNQOEEHHQGZHCH-UHFFFAOYSA-N 1 3 481.689 3.393 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303404813 1067933359 /nfs/dbraw/zinc/93/33/59/1067933359.db2.gz CNQOEEHHQGZHCH-UHFFFAOYSA-N 1 3 481.689 3.393 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001303410139 1067936551 /nfs/dbraw/zinc/93/65/51/1067936551.db2.gz QAXZHNPOGNJWAK-QFIPXVFZSA-N 1 3 483.705 3.495 20 0 JGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(N3CCN(C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910806 1067953738 /nfs/dbraw/zinc/95/37/38/1067953738.db2.gz IZASEUSJXVARHQ-BDTNDASRSA-N 1 3 460.711 3.491 20 0 JGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(N3CCN(C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910806 1067953743 /nfs/dbraw/zinc/95/37/43/1067953743.db2.gz IZASEUSJXVARHQ-BDTNDASRSA-N 1 3 460.711 3.491 20 0 JGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(N3CCN(C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910808 1067953822 /nfs/dbraw/zinc/95/38/22/1067953822.db2.gz IZASEUSJXVARHQ-BHIFYINESA-N 1 3 460.711 3.491 20 0 JGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(N3CCN(C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910808 1067953831 /nfs/dbraw/zinc/95/38/31/1067953831.db2.gz IZASEUSJXVARHQ-BHIFYINESA-N 1 3 460.711 3.491 20 0 JGADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304979162 1068017417 /nfs/dbraw/zinc/01/74/17/1068017417.db2.gz LSESFWWZVHZENW-BIELFDCTSA-N 1 3 487.737 3.485 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303503569 1068034781 /nfs/dbraw/zinc/03/47/81/1068034781.db2.gz SPLZRRQORPKQCH-RUZDIDTESA-N 1 3 462.683 3.114 20 0 JGADHO CC(C)O[C@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503569 1068034792 /nfs/dbraw/zinc/03/47/92/1068034792.db2.gz SPLZRRQORPKQCH-RUZDIDTESA-N 1 3 462.683 3.114 20 0 JGADHO C[C@@H]1CCC[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001305042701 1068098586 /nfs/dbraw/zinc/09/85/86/1068098586.db2.gz KICDFIVSVCQGLW-HSZRJFAPSA-N 1 3 487.737 3.471 20 0 JGADHO C[C@@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001305042701 1068098600 /nfs/dbraw/zinc/09/86/00/1068098600.db2.gz KICDFIVSVCQGLW-HSZRJFAPSA-N 1 3 487.737 3.471 20 0 JGADHO C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663790 1068195607 /nfs/dbraw/zinc/19/56/07/1068195607.db2.gz FYLMLHIVUDLEBB-SFTDATJTSA-N 1 3 459.683 3.052 20 0 JGADHO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001303719207 1068267905 /nfs/dbraw/zinc/26/79/05/1068267905.db2.gz SVUBAWVIEOXACN-WOJBJXKFSA-N 1 3 477.698 3.263 20 0 JGADHO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1)[NH+](C)C ZINC001303895888 1068534423 /nfs/dbraw/zinc/53/44/23/1068534423.db2.gz TZYKYLWSONMSQK-WOJBJXKFSA-N 1 3 474.625 3.056 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456481 1068695729 /nfs/dbraw/zinc/69/57/29/1068695729.db2.gz FOEDTSQAHKAXQV-QPTUXGOLSA-N 1 3 453.679 3.311 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456476 1068695864 /nfs/dbraw/zinc/69/58/64/1068695864.db2.gz FOEDTSQAHKAXQV-OEMFJLHTSA-N 1 3 453.679 3.311 20 0 JGADHO CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458109 1068699709 /nfs/dbraw/zinc/69/97/09/1068699709.db2.gz MKDWWOVXOGWGRZ-PKTZIBPZSA-N 1 3 489.753 3.286 20 0 JGADHO CC[C@@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001305544138 1068819031 /nfs/dbraw/zinc/81/90/31/1068819031.db2.gz YTWMZZQITFJTLC-FGZHOGPDSA-N 1 3 473.735 3.449 20 0 JGADHO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305544335 1068820721 /nfs/dbraw/zinc/82/07/21/1068820721.db2.gz OWMIXMIEMRCHJB-RBBKRZOGSA-N 1 3 458.626 3.221 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305609221 1068881228 /nfs/dbraw/zinc/88/12/28/1068881228.db2.gz SAEYSRSRYHONGA-VWNXMTODSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305609221 1068881237 /nfs/dbraw/zinc/88/12/37/1068881237.db2.gz SAEYSRSRYHONGA-VWNXMTODSA-N 1 3 483.705 3.289 20 0 JGADHO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001305621590 1068908472 /nfs/dbraw/zinc/90/84/72/1068908472.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 1 3 489.753 3.143 20 0 JGADHO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001305621590 1068908483 /nfs/dbraw/zinc/90/84/83/1068908483.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 1 3 489.753 3.143 20 0 JGADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c21 ZINC001164406953 718863466 /nfs/dbraw/zinc/86/34/66/718863466.db2.gz HXRVJIWCZRSIEA-PZJWPPBQSA-N 1 3 483.012 3.211 20 0 JGADHO CCOC(=O)c1cnc2cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782990 721363981 /nfs/dbraw/zinc/36/39/81/721363981.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 1 3 467.570 3.463 20 0 JGADHO CCOC(=O)c1cnc2cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782990 721363985 /nfs/dbraw/zinc/36/39/85/721363985.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 1 3 467.570 3.463 20 0 JGADHO CCOC(=O)c1cnc2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782992 721364511 /nfs/dbraw/zinc/36/45/11/721364511.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 1 3 467.570 3.463 20 0 JGADHO CCOC(=O)c1cnc2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782992 721364516 /nfs/dbraw/zinc/36/45/16/721364516.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 1 3 467.570 3.463 20 0 JGADHO