smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)C1 ZINC000000689530 551526976 /nfs/dbraw/zinc/52/69/76/551526976.db2.gz AFKJGHAYGVEJNG-REWPJTCUSA-N 1 1 504.656 4.484 50 0 KIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)C1 ZINC000000689530 551526973 /nfs/dbraw/zinc/52/69/73/551526973.db2.gz AFKJGHAYGVEJNG-REWPJTCUSA-N 1 1 504.656 4.484 50 0 KIAAMO CC(C)N(CC(=O)Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000000699327 551528662 /nfs/dbraw/zinc/52/86/62/551528662.db2.gz WOVFGGNWMDNEQV-UHFFFAOYSA-N 1 1 554.116 4.173 50 0 KIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002212473 551794422 /nfs/dbraw/zinc/79/44/22/551794422.db2.gz BGHVDJNBCWPPKQ-DOGKRZLPSA-N 1 1 503.908 4.407 50 0 KIAAMO COC(=O)c1c(NC(=O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2cc(C)ccc2n1C ZINC000002241754 551799380 /nfs/dbraw/zinc/79/93/80/551799380.db2.gz JORNPQLBXIYYIM-UHFFFAOYSA-N 1 1 503.521 4.214 50 0 KIAAMO COc1cc(C(=O)Oc2ccccc2[C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(OC)c1OC ZINC000002297073 552089546 /nfs/dbraw/zinc/08/95/46/552089546.db2.gz AGZWXKCZGTYQMY-QHCPKHFHSA-N 1 1 509.584 4.410 50 0 KIAAMO COc1cc(C(=O)Oc2ccccc2[C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(OC)c1OC ZINC000002297073 552089543 /nfs/dbraw/zinc/08/95/43/552089543.db2.gz AGZWXKCZGTYQMY-QHCPKHFHSA-N 1 1 509.584 4.410 50 0 KIAAMO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002328261 552095676 /nfs/dbraw/zinc/09/56/76/552095676.db2.gz LZOTYZLKOZHFHC-DOGKRZLPSA-N 1 1 503.908 4.352 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000002433209 552118343 /nfs/dbraw/zinc/11/83/43/552118343.db2.gz QJHZLUPCKCYQON-HOKASXAUSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000002433209 552118341 /nfs/dbraw/zinc/11/83/41/552118341.db2.gz QJHZLUPCKCYQON-HOKASXAUSA-N 1 1 500.382 4.050 50 0 KIAAMO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002663821 552151016 /nfs/dbraw/zinc/15/10/16/552151016.db2.gz UVMWBSDEJIEVAD-QFIPXVFZSA-N 1 1 539.579 4.208 50 0 KIAAMO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002663821 552151014 /nfs/dbraw/zinc/15/10/14/552151014.db2.gz UVMWBSDEJIEVAD-QFIPXVFZSA-N 1 1 539.579 4.208 50 0 KIAAMO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002663823 552151060 /nfs/dbraw/zinc/15/10/60/552151060.db2.gz UVMWBSDEJIEVAD-JOCHJYFZSA-N 1 1 539.579 4.208 50 0 KIAAMO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002663823 552151057 /nfs/dbraw/zinc/15/10/57/552151057.db2.gz UVMWBSDEJIEVAD-JOCHJYFZSA-N 1 1 539.579 4.208 50 0 KIAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003006994 552254342 /nfs/dbraw/zinc/25/43/42/552254342.db2.gz FLSOXNKHAMQZIN-UHFFFAOYSA-N 1 1 554.719 4.286 50 0 KIAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003006994 552254341 /nfs/dbraw/zinc/25/43/41/552254341.db2.gz FLSOXNKHAMQZIN-UHFFFAOYSA-N 1 1 554.719 4.286 50 0 KIAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(=O)OC)C1 ZINC000003007021 552254648 /nfs/dbraw/zinc/25/46/48/552254648.db2.gz LJGQOFSGZZHSOD-UHFFFAOYSA-N 1 1 539.679 4.307 50 0 KIAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(=O)OC)C1 ZINC000003007021 552254644 /nfs/dbraw/zinc/25/46/44/552254644.db2.gz LJGQOFSGZZHSOD-UHFFFAOYSA-N 1 1 539.679 4.307 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007033 552254776 /nfs/dbraw/zinc/25/47/76/552254776.db2.gz VRDZIFYLUVKNIE-UHFFFAOYSA-N 1 1 527.668 4.380 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007033 552254774 /nfs/dbraw/zinc/25/47/74/552254774.db2.gz VRDZIFYLUVKNIE-UHFFFAOYSA-N 1 1 527.668 4.380 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007041 552254781 /nfs/dbraw/zinc/25/47/81/552254781.db2.gz FKNBQDZGNNHLSA-KRWDZBQOSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007041 552254779 /nfs/dbraw/zinc/25/47/79/552254779.db2.gz FKNBQDZGNNHLSA-KRWDZBQOSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007045 552254626 /nfs/dbraw/zinc/25/46/26/552254626.db2.gz AFKDAKLNAWBBBB-HDICACEKSA-N 1 1 533.716 4.222 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007045 552254623 /nfs/dbraw/zinc/25/46/23/552254623.db2.gz AFKDAKLNAWBBBB-HDICACEKSA-N 1 1 533.716 4.222 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007052 552254582 /nfs/dbraw/zinc/25/45/82/552254582.db2.gz BWAVOMITJHJKIX-UHFFFAOYSA-N 1 1 553.706 4.302 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007052 552254579 /nfs/dbraw/zinc/25/45/79/552254579.db2.gz BWAVOMITJHJKIX-UHFFFAOYSA-N 1 1 553.706 4.302 50 0 KIAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](CC)CC2 ZINC000003007055 552254659 /nfs/dbraw/zinc/25/46/59/552254659.db2.gz YLQYFQXQIPCNMT-UHFFFAOYSA-N 1 1 519.689 4.120 50 0 KIAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](CC)CC2 ZINC000003007055 552254657 /nfs/dbraw/zinc/25/46/57/552254657.db2.gz YLQYFQXQIPCNMT-UHFFFAOYSA-N 1 1 519.689 4.120 50 0 KIAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007112 552254707 /nfs/dbraw/zinc/25/47/07/552254707.db2.gz WXGLPJPBJQHPBI-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C(C)C)C3)cc1 ZINC000003007112 552254706 /nfs/dbraw/zinc/25/47/06/552254706.db2.gz WXGLPJPBJQHPBI-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007116 552254734 /nfs/dbraw/zinc/25/47/34/552254734.db2.gz BUYNQUSTJGIQQQ-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C(C)C)C3)cc1 ZINC000003007116 552254731 /nfs/dbraw/zinc/25/47/31/552254731.db2.gz BUYNQUSTJGIQQQ-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007119 552254947 /nfs/dbraw/zinc/25/49/47/552254947.db2.gz XXJBVALTBIFNRW-UHFFFAOYSA-N 1 1 527.668 4.379 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007119 552254945 /nfs/dbraw/zinc/25/49/45/552254945.db2.gz XXJBVALTBIFNRW-UHFFFAOYSA-N 1 1 527.668 4.379 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007132 552254971 /nfs/dbraw/zinc/25/49/71/552254971.db2.gz VKCMLXWBBXXKOZ-KRWDZBQOSA-N 1 1 519.689 4.117 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)C[N@H+](C(C)C)CC2 ZINC000003007132 552254968 /nfs/dbraw/zinc/25/49/68/552254968.db2.gz VKCMLXWBBXXKOZ-KRWDZBQOSA-N 1 1 519.689 4.117 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007136 552255027 /nfs/dbraw/zinc/25/50/27/552255027.db2.gz LPFDKJCERWKHKP-ROUUACIJSA-N 1 1 533.716 4.220 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007136 552255025 /nfs/dbraw/zinc/25/50/25/552255025.db2.gz LPFDKJCERWKHKP-ROUUACIJSA-N 1 1 533.716 4.220 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCc4ccccc4C3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007142 552255023 /nfs/dbraw/zinc/25/50/23/552255023.db2.gz VIPYRQOXWMXIIR-UHFFFAOYSA-N 1 1 553.706 4.301 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCc4ccccc4C3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007142 552255022 /nfs/dbraw/zinc/25/50/22/552255022.db2.gz VIPYRQOXWMXIIR-UHFFFAOYSA-N 1 1 553.706 4.301 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007144 552255071 /nfs/dbraw/zinc/25/50/71/552255071.db2.gz APTDOAYCFRSSET-UHFFFAOYSA-N 1 1 519.689 4.118 50 0 KIAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007144 552255068 /nfs/dbraw/zinc/25/50/68/552255068.db2.gz APTDOAYCFRSSET-UHFFFAOYSA-N 1 1 519.689 4.118 50 0 KIAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007150 552254963 /nfs/dbraw/zinc/25/49/63/552254963.db2.gz ADQQLSYRNOPLSQ-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](C(C)C)C3)cc1 ZINC000003007150 552254960 /nfs/dbraw/zinc/25/49/60/552254960.db2.gz ADQQLSYRNOPLSQ-UHFFFAOYSA-N 1 1 521.705 4.364 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007160 552254929 /nfs/dbraw/zinc/25/49/29/552254929.db2.gz MBTZEKHYNWUVBW-UHFFFAOYSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007160 552254927 /nfs/dbraw/zinc/25/49/27/552254927.db2.gz MBTZEKHYNWUVBW-UHFFFAOYSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007163 552255094 /nfs/dbraw/zinc/25/50/94/552255094.db2.gz YPVDQAZIKVYBHE-GOSISDBHSA-N 1 1 533.716 4.364 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007163 552255092 /nfs/dbraw/zinc/25/50/92/552255092.db2.gz YPVDQAZIKVYBHE-GOSISDBHSA-N 1 1 533.716 4.364 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007164 552255020 /nfs/dbraw/zinc/25/50/20/552255020.db2.gz SDHVJRFXDZVEHM-UHFFFAOYSA-N 1 1 533.716 4.364 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007164 552255019 /nfs/dbraw/zinc/25/50/19/552255019.db2.gz SDHVJRFXDZVEHM-UHFFFAOYSA-N 1 1 533.716 4.364 50 0 KIAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007181 552254920 /nfs/dbraw/zinc/25/49/20/552254920.db2.gz DQRHTGVRGQZLIO-UHFFFAOYSA-N 1 1 534.748 4.169 50 0 KIAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000003007181 552254917 /nfs/dbraw/zinc/25/49/17/552254917.db2.gz DQRHTGVRGQZLIO-UHFFFAOYSA-N 1 1 534.748 4.169 50 0 KIAAMO Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000003013537 552260327 /nfs/dbraw/zinc/26/03/27/552260327.db2.gz LWKDDPRYKHCHRP-VWNXMTODSA-N 1 1 590.124 4.347 50 0 KIAAMO 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CCCC[N@@H+](CC)CCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000009693665 553298714 /nfs/dbraw/zinc/29/87/14/553298714.db2.gz XOOLUIUNCAPBCU-UHFFFAOYSA-N 1 1 510.038 4.391 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[N@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776991 553306523 /nfs/dbraw/zinc/30/65/23/553306523.db2.gz CDABTYXDDFLVMK-LOYHVIPDSA-N 1 1 525.649 4.105 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[N@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776993 553306468 /nfs/dbraw/zinc/30/64/68/553306468.db2.gz CDABTYXDDFLVMK-IHLOFXLRSA-N 1 1 525.649 4.105 50 0 KIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000009847959 553312464 /nfs/dbraw/zinc/31/24/64/553312464.db2.gz JDEURRXJYTURDM-UHFFFAOYSA-N 1 1 504.635 4.331 50 0 KIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000009847962 553312409 /nfs/dbraw/zinc/31/24/09/553312409.db2.gz REZTULKZCSAMAP-UHFFFAOYSA-N 1 1 507.063 4.456 50 0 KIAAMO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cc(Br)c(O)c(OC)c3)CC2)CC1 ZINC000009849708 553312427 /nfs/dbraw/zinc/31/24/27/553312427.db2.gz UHYSKRJWEXJFBN-UHFFFAOYSA-N 1 1 532.479 4.123 50 0 KIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(Cl)c(OC)cc4OC)C3)n2)cc1OC ZINC000009857823 553313815 /nfs/dbraw/zinc/31/38/15/553313815.db2.gz PRSNSIJCQNDMQE-INIZCTEOSA-N 1 1 516.982 4.275 50 0 KIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(Cl)c(OC)cc4OC)C3)n2)cc1OC ZINC000009857823 553313814 /nfs/dbraw/zinc/31/38/14/553313814.db2.gz PRSNSIJCQNDMQE-INIZCTEOSA-N 1 1 516.982 4.275 50 0 KIAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)c(OC)cc4OC)C3)n2)cc1OC ZINC000009857826 553313766 /nfs/dbraw/zinc/31/37/66/553313766.db2.gz PRSNSIJCQNDMQE-MRXNPFEDSA-N 1 1 516.982 4.275 50 0 KIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)c(OC)cc4OC)C3)n2)cc1OC ZINC000009857826 553313764 /nfs/dbraw/zinc/31/37/64/553313764.db2.gz PRSNSIJCQNDMQE-MRXNPFEDSA-N 1 1 516.982 4.275 50 0 KIAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)cc1 ZINC000009934068 553317501 /nfs/dbraw/zinc/31/75/01/553317501.db2.gz QOIBXYLUZQUUIW-HHHXNRCGSA-N 1 1 503.643 4.372 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000011726313 553340829 /nfs/dbraw/zinc/34/08/29/553340829.db2.gz FKNBQDZGNNHLSA-QGZVFWFLSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC[N@H+](CC)C2 ZINC000011726313 553340828 /nfs/dbraw/zinc/34/08/28/553340828.db2.gz FKNBQDZGNNHLSA-QGZVFWFLSA-N 1 1 519.689 4.118 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000011726315 553340849 /nfs/dbraw/zinc/34/08/49/553340849.db2.gz AFKDAKLNAWBBBB-QZTJIDSGSA-N 1 1 533.716 4.222 50 0 KIAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000011726315 553340848 /nfs/dbraw/zinc/34/08/48/553340848.db2.gz AFKDAKLNAWBBBB-QZTJIDSGSA-N 1 1 533.716 4.222 50 0 KIAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)cc1OC ZINC000011786312 553342857 /nfs/dbraw/zinc/34/28/57/553342857.db2.gz WGXNHBJHTMREFS-UHFFFAOYSA-N 1 1 506.002 4.476 50 0 KIAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000011788146 553343090 /nfs/dbraw/zinc/34/30/90/553343090.db2.gz AHFYQFLFPDICHI-UHFFFAOYSA-N 1 1 534.604 4.170 50 0 KIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000011789914 553343113 /nfs/dbraw/zinc/34/31/13/553343113.db2.gz XNQXBFGXGDGGMZ-FTJBHMTQSA-N 1 1 502.640 4.403 50 0 KIAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000011789914 553343112 /nfs/dbraw/zinc/34/31/12/553343112.db2.gz XNQXBFGXGDGGMZ-FTJBHMTQSA-N 1 1 502.640 4.403 50 0 KIAAMO COc1ccccc1C[N@H+]1C[C@H](Sc2nccc(C)n2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000011790461 553343335 /nfs/dbraw/zinc/34/33/35/553343335.db2.gz DTOXZSVIEIKSKF-RDGATRHJSA-N 1 1 521.662 4.017 50 0 KIAAMO COc1ccccc1C[N@@H+]1C[C@H](Sc2nccc(C)n2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000011790461 553343333 /nfs/dbraw/zinc/34/33/33/553343333.db2.gz DTOXZSVIEIKSKF-RDGATRHJSA-N 1 1 521.662 4.017 50 0 KIAAMO COC(=O)c1sccc1S(=O)(=O)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000011790825 553343291 /nfs/dbraw/zinc/34/32/91/553343291.db2.gz WWPNQLWAVCABCR-UHFFFAOYSA-N 1 1 573.712 4.228 50 0 KIAAMO COc1ccccc1-c1ccc(C(=O)N2CCCCCC2)c(N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000011815105 553343479 /nfs/dbraw/zinc/34/34/79/553343479.db2.gz XWMNEUNOYBEROY-HSZRJFAPSA-N 1 1 506.691 4.447 50 0 KIAAMO COc1ccccc1-c1ccc(C(=O)N2CCCCCC2)c(N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000011815106 553343409 /nfs/dbraw/zinc/34/34/09/553343409.db2.gz XWMNEUNOYBEROY-QHCPKHFHSA-N 1 1 506.691 4.447 50 0 KIAAMO COCc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)o1 ZINC000011840922 553343425 /nfs/dbraw/zinc/34/34/25/553343425.db2.gz VAYZXLGNLHJNML-UHFFFAOYSA-N 1 1 528.653 4.443 50 0 KIAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000011870962 553348273 /nfs/dbraw/zinc/34/82/73/553348273.db2.gz VSKZSJIDKMTVAK-YADHBBJMSA-N 1 1 507.626 4.012 50 0 KIAAMO COC(=O)CC[C@H]1CN(Cc2cc(C)c(OC)cc2C)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000011912921 553349147 /nfs/dbraw/zinc/34/91/47/553349147.db2.gz JPTPUPYUKWCHSN-AZGAKELHSA-N 1 1 509.691 4.287 50 0 KIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(C)c(OC)cc2C)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000011912921 553349146 /nfs/dbraw/zinc/34/91/46/553349146.db2.gz JPTPUPYUKWCHSN-AZGAKELHSA-N 1 1 509.691 4.287 50 0 KIAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCOCC1 ZINC000011913657 553349138 /nfs/dbraw/zinc/34/91/38/553349138.db2.gz UEJQIAREZQNQFT-RPLLCQBOSA-N 1 1 529.100 4.131 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCOCC1 ZINC000011913657 553349137 /nfs/dbraw/zinc/34/91/37/553349137.db2.gz UEJQIAREZQNQFT-RPLLCQBOSA-N 1 1 529.100 4.131 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3sccc3C)C2)nn1 ZINC000011974876 553349809 /nfs/dbraw/zinc/34/98/09/553349809.db2.gz BMHKKCKXVBVMKD-VWNXMTODSA-N 1 1 515.639 4.156 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3sccc3C)C2)nn1 ZINC000011974876 553349808 /nfs/dbraw/zinc/34/98/08/553349808.db2.gz BMHKKCKXVBVMKD-VWNXMTODSA-N 1 1 515.639 4.156 50 0 KIAAMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccccc2C(F)(F)F)CC1 ZINC000012027170 553350148 /nfs/dbraw/zinc/35/01/48/553350148.db2.gz YNSNHPNPIYKATP-XXBNENTESA-N 1 1 517.621 4.481 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000012036881 553350194 /nfs/dbraw/zinc/35/01/94/553350194.db2.gz VDTIHSQMCAADJK-OFVILXPXSA-N 1 1 501.612 4.394 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000012036881 553350192 /nfs/dbraw/zinc/35/01/92/553350192.db2.gz VDTIHSQMCAADJK-OFVILXPXSA-N 1 1 501.612 4.394 50 0 KIAAMO COCCNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012037728 553350414 /nfs/dbraw/zinc/35/04/14/553350414.db2.gz UVDCZKPKRHWVTM-JYFHCDHNSA-N 1 1 517.089 4.035 50 0 KIAAMO COCCNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012037728 553350411 /nfs/dbraw/zinc/35/04/11/553350411.db2.gz UVDCZKPKRHWVTM-JYFHCDHNSA-N 1 1 517.089 4.035 50 0 KIAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3ccccc3C(F)(F)F)C2)n1 ZINC000012048638 553350690 /nfs/dbraw/zinc/35/06/90/553350690.db2.gz OSHSMXVZSQHMAX-IRLDBZIGSA-N 1 1 507.626 4.012 50 0 KIAAMO COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](C3CCN(C(C)=O)CC3)C4)nc12 ZINC000012165220 553353223 /nfs/dbraw/zinc/35/32/23/553353223.db2.gz WHENSTVRVDGFBP-UHFFFAOYSA-N 1 1 505.615 4.441 50 0 KIAAMO CC(C)[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)Cc2ccon2)C1 ZINC000012212987 553354260 /nfs/dbraw/zinc/35/42/60/553354260.db2.gz OGBVKQQOZZTPDW-SQJMNOBHSA-N 1 1 521.628 4.353 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012218271 553354349 /nfs/dbraw/zinc/35/43/49/553354349.db2.gz DQYNBOODYJCRCF-AVRDEDQJSA-N 1 1 507.641 4.456 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012218271 553354347 /nfs/dbraw/zinc/35/43/47/553354347.db2.gz DQYNBOODYJCRCF-AVRDEDQJSA-N 1 1 507.641 4.456 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012242702 553354610 /nfs/dbraw/zinc/35/46/10/553354610.db2.gz BPIDUYHPNVUISD-WUFINQPMSA-N 1 1 519.734 4.286 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012242702 553354608 /nfs/dbraw/zinc/35/46/08/553354608.db2.gz BPIDUYHPNVUISD-WUFINQPMSA-N 1 1 519.734 4.286 50 0 KIAAMO COc1ccc(/C=C/C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)CC2)cc1 ZINC000012243599 553354831 /nfs/dbraw/zinc/35/48/31/553354831.db2.gz GFPHHMVTVKDPCQ-ONEGZZNKSA-N 1 1 511.578 4.056 50 0 KIAAMO COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCC[N@H+](C3CCN(C(C)=O)CC3)C4)cc(C)c2c1 ZINC000012245743 553355076 /nfs/dbraw/zinc/35/50/76/553355076.db2.gz VWMDWBBWDLGNQY-UHFFFAOYSA-N 1 1 505.615 4.441 50 0 KIAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012531053 553386194 /nfs/dbraw/zinc/38/61/94/553386194.db2.gz NPUANAAHYVQSSA-UHFFFAOYSA-N 1 1 513.586 4.132 50 0 KIAAMO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000012535965 553387570 /nfs/dbraw/zinc/38/75/70/553387570.db2.gz XOJAQUUBUVHZLF-RUZDIDTESA-N 1 1 523.655 4.380 50 0 KIAAMO COc1ccc([C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000012535966 553387624 /nfs/dbraw/zinc/38/76/24/553387624.db2.gz XOJAQUUBUVHZLF-VWLOTQADSA-N 1 1 523.655 4.380 50 0 KIAAMO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012538742 553388222 /nfs/dbraw/zinc/38/82/22/553388222.db2.gz QEJLOSQULIRTJP-UHFFFAOYSA-N 1 1 503.668 4.021 50 0 KIAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000012561251 553394612 /nfs/dbraw/zinc/39/46/12/553394612.db2.gz JRRNKWTZVLTGJE-DNQXCXABSA-N 1 1 533.694 4.032 50 0 KIAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000012561255 553394597 /nfs/dbraw/zinc/39/45/97/553394597.db2.gz JRRNKWTZVLTGJE-PSWAGMNNSA-N 1 1 533.694 4.032 50 0 KIAAMO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000012561257 553394600 /nfs/dbraw/zinc/39/46/00/553394600.db2.gz JRRNKWTZVLTGJE-ZEQRLZLVSA-N 1 1 533.694 4.032 50 0 KIAAMO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012563006 553395349 /nfs/dbraw/zinc/39/53/49/553395349.db2.gz SYEUQVQJQOHQMZ-UHFFFAOYSA-N 1 1 513.591 4.377 50 0 KIAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C[C@@H](C)O1 ZINC000012563198 553395493 /nfs/dbraw/zinc/39/54/93/553395493.db2.gz AVEDLSRHTQMAHR-DNQXCXABSA-N 1 1 533.694 4.032 50 0 KIAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C[C@H](C)O1 ZINC000012563202 553395506 /nfs/dbraw/zinc/39/55/06/553395506.db2.gz AVEDLSRHTQMAHR-PSWAGMNNSA-N 1 1 533.694 4.032 50 0 KIAAMO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C[C@H](C)O1 ZINC000012563203 553395542 /nfs/dbraw/zinc/39/55/42/553395542.db2.gz AVEDLSRHTQMAHR-ZEQRLZLVSA-N 1 1 533.694 4.032 50 0 KIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012580242 553399094 /nfs/dbraw/zinc/39/90/94/553399094.db2.gz YWHSLRWNUYHBSQ-LADGPHEKSA-N 1 1 511.669 4.095 50 0 KIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012580250 553398999 /nfs/dbraw/zinc/39/89/99/553398999.db2.gz YWHSLRWNUYHBSQ-UPVQGACJSA-N 1 1 511.669 4.095 50 0 KIAAMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012612578 553402441 /nfs/dbraw/zinc/40/24/41/553402441.db2.gz QXQMCAYFOAAPLR-GDLZYMKVSA-N 1 1 513.663 4.074 50 0 KIAAMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012612588 553402384 /nfs/dbraw/zinc/40/23/84/553402384.db2.gz QXQMCAYFOAAPLR-LJAQVGFWSA-N 1 1 513.663 4.074 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012726556 553420365 /nfs/dbraw/zinc/42/03/65/553420365.db2.gz RMMQUVFTKDWNDH-XTEPFMGCSA-N 1 1 519.734 4.286 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012726556 553420362 /nfs/dbraw/zinc/42/03/62/553420362.db2.gz RMMQUVFTKDWNDH-XTEPFMGCSA-N 1 1 519.734 4.286 50 0 KIAAMO COc1ccccc1COC[C@H](O)C[N@@H+](C[C@H](O)COCc1ccccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000012801199 553420994 /nfs/dbraw/zinc/42/09/94/553420994.db2.gz SYNLXTIXDBLOMI-WPUNFHQUSA-N 1 1 539.713 4.430 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000012850703 553421913 /nfs/dbraw/zinc/42/19/13/553421913.db2.gz AMMXDUUSRMLWQH-JKSUJKDBSA-N 1 1 506.356 4.302 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000013118804 553449124 /nfs/dbraw/zinc/44/91/24/553449124.db2.gz BQVAXSMFEONHTN-URLMMPGGSA-N 1 1 529.637 4.028 50 0 KIAAMO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000013118805 553449108 /nfs/dbraw/zinc/44/91/08/553449108.db2.gz BQVAXSMFEONHTN-VMPREFPWSA-N 1 1 529.637 4.028 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000013118806 553449089 /nfs/dbraw/zinc/44/90/89/553449089.db2.gz BQVAXSMFEONHTN-FQLXRVMXSA-N 1 1 529.637 4.028 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013556239 553471160 /nfs/dbraw/zinc/47/11/60/553471160.db2.gz VCSUFPXDKIHBOQ-ZNXVIZGJSA-N 1 1 511.553 4.239 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(F)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013556239 553471159 /nfs/dbraw/zinc/47/11/59/553471159.db2.gz VCSUFPXDKIHBOQ-ZNXVIZGJSA-N 1 1 511.553 4.239 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000013598395 553477417 /nfs/dbraw/zinc/47/74/17/553477417.db2.gz KDWDLAAEGRKSBO-NDBXHCKUSA-N 1 1 513.937 4.223 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000013598395 553477415 /nfs/dbraw/zinc/47/74/15/553477415.db2.gz KDWDLAAEGRKSBO-NDBXHCKUSA-N 1 1 513.937 4.223 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000013685106 553485151 /nfs/dbraw/zinc/48/51/51/553485151.db2.gz TYYVGLODYDPFLM-IDCDSMMUSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000013685111 553485138 /nfs/dbraw/zinc/48/51/38/553485138.db2.gz TYYVGLODYDPFLM-RWJVBYDYSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000013685115 553485132 /nfs/dbraw/zinc/48/51/32/553485132.db2.gz TYYVGLODYDPFLM-CHCBTGSZSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000013685119 553485082 /nfs/dbraw/zinc/48/50/82/553485082.db2.gz TYYVGLODYDPFLM-XTGAJNFRSA-N 1 1 510.981 4.030 50 0 KIAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689847 553485651 /nfs/dbraw/zinc/48/56/51/553485651.db2.gz CNYZHUHGSXMGTD-KXLMYSQUSA-N 1 1 504.590 4.075 50 0 KIAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689848 553485649 /nfs/dbraw/zinc/48/56/49/553485649.db2.gz CNYZHUHGSXMGTD-DXSIMJTGSA-N 1 1 504.590 4.075 50 0 KIAAMO Cc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689849 553485654 /nfs/dbraw/zinc/48/56/54/553485654.db2.gz CNYZHUHGSXMGTD-JXXDWEOVSA-N 1 1 504.590 4.075 50 0 KIAAMO Cc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013689850 553485712 /nfs/dbraw/zinc/48/57/12/553485712.db2.gz CNYZHUHGSXMGTD-JKGCRDSPSA-N 1 1 504.590 4.075 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000013724279 553486931 /nfs/dbraw/zinc/48/69/31/553486931.db2.gz ZWXQGJBSLIDCRB-IDCDSMMUSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000013724282 553486900 /nfs/dbraw/zinc/48/69/00/553486900.db2.gz ZWXQGJBSLIDCRB-RWJVBYDYSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000013724285 553486907 /nfs/dbraw/zinc/48/69/07/553486907.db2.gz ZWXQGJBSLIDCRB-CHCBTGSZSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000013724288 553486939 /nfs/dbraw/zinc/48/69/39/553486939.db2.gz ZWXQGJBSLIDCRB-XTGAJNFRSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000013734204 553487141 /nfs/dbraw/zinc/48/71/41/553487141.db2.gz DOKALDURUBMKDA-IDCDSMMUSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000013734207 553487068 /nfs/dbraw/zinc/48/70/68/553487068.db2.gz DOKALDURUBMKDA-RWJVBYDYSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000013734210 553487157 /nfs/dbraw/zinc/48/71/57/553487157.db2.gz DOKALDURUBMKDA-CHCBTGSZSA-N 1 1 510.981 4.030 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000013734213 553487087 /nfs/dbraw/zinc/48/70/87/553487087.db2.gz DOKALDURUBMKDA-XTGAJNFRSA-N 1 1 510.981 4.030 50 0 KIAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000013764765 553488975 /nfs/dbraw/zinc/48/89/75/553488975.db2.gz YHDINOIPCCLOJE-UHFFFAOYSA-N 1 1 519.520 4.294 50 0 KIAAMO Cn1c(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)nc2ccccc21 ZINC000014531503 553517420 /nfs/dbraw/zinc/51/74/20/553517420.db2.gz YOJDMXMKNCESSR-UHFFFAOYSA-N 1 1 508.626 4.010 50 0 KIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000014532620 553517544 /nfs/dbraw/zinc/51/75/44/553517544.db2.gz AVVUNVCJQZJRNR-BJKOFHAPSA-N 1 1 519.617 4.279 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC ZINC000014532920 553517676 /nfs/dbraw/zinc/51/76/76/553517676.db2.gz JXDHTTNXVFCPMK-FCHUYYIVSA-N 1 1 523.580 4.375 50 0 KIAAMO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4nc5ccccc5n4C)CC3)C2=O)c1 ZINC000014533238 553517698 /nfs/dbraw/zinc/51/76/98/553517698.db2.gz NKOCDVHMAKTJGR-UHFFFAOYSA-N 1 1 503.647 4.427 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CCCC3)C2)cc1OC ZINC000014533453 553517810 /nfs/dbraw/zinc/51/78/10/553517810.db2.gz IXUXHAPUXACTNK-BJKOFHAPSA-N 1 1 505.659 4.328 50 0 KIAAMO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000014534140 553517867 /nfs/dbraw/zinc/51/78/67/553517867.db2.gz VTBUJQLCRIMTBD-RPBOFIJWSA-N 1 1 505.659 4.282 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014537592 553518069 /nfs/dbraw/zinc/51/80/69/553518069.db2.gz MTDXTMIWKIPXIA-IZZNHLLZSA-N 1 1 513.638 4.153 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cccs3)C2)cc1OC ZINC000014541692 553518794 /nfs/dbraw/zinc/51/87/94/553518794.db2.gz YBMOBLIJWXXSKM-VQTJNVASSA-N 1 1 511.619 4.298 50 0 KIAAMO Cn1c(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)nc2ccccc21 ZINC000014541855 553518745 /nfs/dbraw/zinc/51/87/45/553518745.db2.gz YQFQJTUHTGRDNY-UHFFFAOYSA-N 1 1 508.626 4.010 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014542228 553518774 /nfs/dbraw/zinc/51/87/74/553518774.db2.gz LVKBPQCODVYBON-LOSJGSFVSA-N 1 1 501.602 4.413 50 0 KIAAMO Cn1c(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)nc2ccccc21 ZINC000014543543 553518857 /nfs/dbraw/zinc/51/88/57/553518857.db2.gz HKURNUXMVMMYSZ-UHFFFAOYSA-N 1 1 522.653 4.400 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@H+](CCc2ccccc2)C1 ZINC000014731193 553519396 /nfs/dbraw/zinc/51/93/96/553519396.db2.gz BMCANVOROVGGEV-WUFINQPMSA-N 1 1 511.666 4.490 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014733721 553519389 /nfs/dbraw/zinc/51/93/89/553519389.db2.gz RIXGDRIHWSVDFL-IZZNHLLZSA-N 1 1 503.643 4.283 50 0 KIAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014740472 553519346 /nfs/dbraw/zinc/51/93/46/553519346.db2.gz HZUUHULDVYKORN-BJKOFHAPSA-N 1 1 519.608 4.061 50 0 KIAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014740788 553519589 /nfs/dbraw/zinc/51/95/89/553519589.db2.gz SAQXEYWAVRPQPG-LBNVMWSVSA-N 1 1 519.661 4.335 50 0 KIAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014741030 553519638 /nfs/dbraw/zinc/51/96/38/553519638.db2.gz CQBOFPPOZISUOM-LOSJGSFVSA-N 1 1 533.635 4.104 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014741498 553519629 /nfs/dbraw/zinc/51/96/29/553519629.db2.gz YQMGEIZCRVDBKQ-LOSJGSFVSA-N 1 1 501.602 4.413 50 0 KIAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014742429 553519611 /nfs/dbraw/zinc/51/96/11/553519611.db2.gz OBLIPKZIWBYBSM-IZZNHLLZSA-N 1 1 513.638 4.283 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCc3ccccc3)C2)cc1OC ZINC000014742751 553519606 /nfs/dbraw/zinc/51/96/06/553519606.db2.gz GHJNATBWCJGDPB-BJKOFHAPSA-N 1 1 519.617 4.279 50 0 KIAAMO Cc1c(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014743773 553519928 /nfs/dbraw/zinc/51/99/28/553519928.db2.gz HQEYTXNGFDICHL-HHHXNRCGSA-N 1 1 502.659 4.047 50 0 KIAAMO Cc1c(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014743773 553519926 /nfs/dbraw/zinc/51/99/26/553519926.db2.gz HQEYTXNGFDICHL-HHHXNRCGSA-N 1 1 502.659 4.047 50 0 KIAAMO Cc1c(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014743774 553519833 /nfs/dbraw/zinc/51/98/33/553519833.db2.gz HQEYTXNGFDICHL-MHZLTWQESA-N 1 1 502.659 4.047 50 0 KIAAMO Cc1c(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000014743774 553519831 /nfs/dbraw/zinc/51/98/31/553519831.db2.gz HQEYTXNGFDICHL-MHZLTWQESA-N 1 1 502.659 4.047 50 0 KIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000014745143 553520029 /nfs/dbraw/zinc/52/00/29/553520029.db2.gz WMMNKUDVUZFPRQ-XZOQPEGZSA-N 1 1 505.590 4.236 50 0 KIAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014749634 553520319 /nfs/dbraw/zinc/52/03/19/553520319.db2.gz PJCRPTOHCSHFRO-FCHUYYIVSA-N 1 1 500.565 4.347 50 0 KIAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014749634 553520317 /nfs/dbraw/zinc/52/03/17/553520317.db2.gz PJCRPTOHCSHFRO-FCHUYYIVSA-N 1 1 500.565 4.347 50 0 KIAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014749634 553520315 /nfs/dbraw/zinc/52/03/15/553520315.db2.gz PJCRPTOHCSHFRO-FCHUYYIVSA-N 1 1 500.565 4.347 50 0 KIAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014750830 553520524 /nfs/dbraw/zinc/52/05/24/553520524.db2.gz SAIXOONJVLMUEC-IZZNHLLZSA-N 1 1 513.638 4.283 50 0 KIAAMO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000014755172 553520482 /nfs/dbraw/zinc/52/04/82/553520482.db2.gz LNZGKISUBUYVPR-UHFFFAOYSA-N 1 1 502.663 4.246 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccccc2)C1 ZINC000014755229 553520557 /nfs/dbraw/zinc/52/05/57/553520557.db2.gz GTUDCJUMNQCHFV-IZZNHLLZSA-N 1 1 511.622 4.297 50 0 KIAAMO COc1ccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)c(OC)c1 ZINC000014965409 553522754 /nfs/dbraw/zinc/52/27/54/553522754.db2.gz RIPCKNQNTRSWOR-SQJMNOBHSA-N 1 1 502.055 4.299 50 0 KIAAMO COc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c(OC)c1 ZINC000014965409 553522753 /nfs/dbraw/zinc/52/27/53/553522753.db2.gz RIPCKNQNTRSWOR-SQJMNOBHSA-N 1 1 502.055 4.299 50 0 KIAAMO COc1ccc2cc(CNCc3ccccc3C(F)(F)F)c(N3CCC(=O)N(CC[NH+](C)C)CC3)nc2c1 ZINC000014967506 553522728 /nfs/dbraw/zinc/52/27/28/553522728.db2.gz OVQYQSCYFFXQFB-UHFFFAOYSA-N 1 1 529.607 4.152 50 0 KIAAMO COc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000014973686 553522969 /nfs/dbraw/zinc/52/29/69/553522969.db2.gz WCAGBXBJBDRYBJ-OAQYLSRUSA-N 1 1 535.714 4.125 50 0 KIAAMO COc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000014973690 553522874 /nfs/dbraw/zinc/52/28/74/553522874.db2.gz WCAGBXBJBDRYBJ-NRFANRHFSA-N 1 1 535.714 4.125 50 0 KIAAMO Cc1nonc1C(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000014978852 553523243 /nfs/dbraw/zinc/52/32/43/553523243.db2.gz ZFXYNXHSCHNJNY-UHFFFAOYSA-N 1 1 505.644 4.062 50 0 KIAAMO Cc1cc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)n(C)n1 ZINC000014983047 553523495 /nfs/dbraw/zinc/52/34/95/553523495.db2.gz HCBDSOBJJUMJPU-UHFFFAOYSA-N 1 1 517.699 4.412 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000014983647 553523647 /nfs/dbraw/zinc/52/36/47/553523647.db2.gz RXWMKAPKEDKNTM-XTEPFMGCSA-N 1 1 519.734 4.142 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000014983647 553523644 /nfs/dbraw/zinc/52/36/44/553523644.db2.gz RXWMKAPKEDKNTM-XTEPFMGCSA-N 1 1 519.734 4.142 50 0 KIAAMO CSc1ccc(-c2ccc(C(=O)N(C)Cc3ccon3)c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)n2)cc1 ZINC000014992822 553524163 /nfs/dbraw/zinc/52/41/63/553524163.db2.gz JXSWESCRNZXKLT-OAQYLSRUSA-N 1 1 535.714 4.404 50 0 KIAAMO CSc1ccc(-c2ccc(C(=O)N(C)Cc3ccon3)c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000014992824 553524124 /nfs/dbraw/zinc/52/41/24/553524124.db2.gz JXSWESCRNZXKLT-NRFANRHFSA-N 1 1 535.714 4.404 50 0 KIAAMO Cc1noc(C)c1S(=O)(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000014997837 553524570 /nfs/dbraw/zinc/52/45/70/553524570.db2.gz AWHGSNGMJYYWME-UHFFFAOYSA-N 1 1 519.067 4.014 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000015003278 553525007 /nfs/dbraw/zinc/52/50/07/553525007.db2.gz RONSBIAMENGMPU-WUFINQPMSA-N 1 1 519.734 4.142 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000015003278 553525006 /nfs/dbraw/zinc/52/50/06/553525006.db2.gz RONSBIAMENGMPU-WUFINQPMSA-N 1 1 519.734 4.142 50 0 KIAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)CC1 ZINC000015068670 553527270 /nfs/dbraw/zinc/52/72/70/553527270.db2.gz GLIJOKBKWFCTAE-FNORWQNLSA-N 1 1 511.578 4.056 50 0 KIAAMO O=C(COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ccccn2)CC1)N1CCSCC1 ZINC000015069418 553527380 /nfs/dbraw/zinc/52/73/80/553527380.db2.gz BOQYZQHVDVDRTF-UHFFFAOYSA-N 1 1 506.647 4.164 50 0 KIAAMO COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000015228047 553529523 /nfs/dbraw/zinc/52/95/23/553529523.db2.gz QHFATDXXQBRCLZ-UHFFFAOYSA-N 1 1 527.665 4.490 50 0 KIAAMO CCOc1ccc(-c2cc3c(N4CCC(C(=O)N5CC[NH+](Cc6ccccc6)CC5)CC4)nccn3n2)cc1 ZINC000015780512 553536390 /nfs/dbraw/zinc/53/63/90/553536390.db2.gz RTAUQGVIJWRMHR-UHFFFAOYSA-N 1 1 524.669 4.356 50 0 KIAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827590 553536976 /nfs/dbraw/zinc/53/69/76/553536976.db2.gz HXDPTAVPQUWMBA-UHFFFAOYSA-N 1 1 512.610 4.433 50 0 KIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000015865027 553538930 /nfs/dbraw/zinc/53/89/30/553538930.db2.gz RDMNHEGOVRLDRZ-HBRDYDSTSA-N 1 1 528.719 4.080 50 0 KIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000015865028 553538936 /nfs/dbraw/zinc/53/89/36/553538936.db2.gz RDMNHEGOVRLDRZ-GTCGAKFVSA-N 1 1 528.719 4.080 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000015936817 553543089 /nfs/dbraw/zinc/54/30/89/553543089.db2.gz KJOLGVIFRDVCIG-RRAHZORUSA-N 1 1 515.585 4.245 50 0 KIAAMO Cc1nc2nc(SCC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)nn2c(C)c1Cc1ccccc1Cl ZINC000015942411 553543685 /nfs/dbraw/zinc/54/36/85/553543685.db2.gz SXJAQVZPKIGMRK-QGZVFWFLSA-N 1 1 501.100 4.316 50 0 KIAAMO Cc1nc2nc(SCC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)nn2c(C)c1Cc1ccccc1Cl ZINC000015942413 553543670 /nfs/dbraw/zinc/54/36/70/553543670.db2.gz SXJAQVZPKIGMRK-KRWDZBQOSA-N 1 1 501.100 4.316 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000015944116 553543617 /nfs/dbraw/zinc/54/36/17/553543617.db2.gz YUNWDKZWKFXJAC-OAQYLSRUSA-N 1 1 517.651 4.284 50 0 KIAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000015944116 553543614 /nfs/dbraw/zinc/54/36/14/553543614.db2.gz YUNWDKZWKFXJAC-OAQYLSRUSA-N 1 1 517.651 4.284 50 0 KIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000015944118 553543699 /nfs/dbraw/zinc/54/36/99/553543699.db2.gz YUNWDKZWKFXJAC-NRFANRHFSA-N 1 1 517.651 4.284 50 0 KIAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000015944118 553543697 /nfs/dbraw/zinc/54/36/97/553543697.db2.gz YUNWDKZWKFXJAC-NRFANRHFSA-N 1 1 517.651 4.284 50 0 KIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944129 553543845 /nfs/dbraw/zinc/54/38/45/553543845.db2.gz AOKXAGNOTFDICG-OAQYLSRUSA-N 1 1 521.614 4.033 50 0 KIAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944129 553543843 /nfs/dbraw/zinc/54/38/43/553543843.db2.gz AOKXAGNOTFDICG-OAQYLSRUSA-N 1 1 521.614 4.033 50 0 KIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944131 553543827 /nfs/dbraw/zinc/54/38/27/553543827.db2.gz AOKXAGNOTFDICG-NRFANRHFSA-N 1 1 521.614 4.033 50 0 KIAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944131 553543825 /nfs/dbraw/zinc/54/38/25/553543825.db2.gz AOKXAGNOTFDICG-NRFANRHFSA-N 1 1 521.614 4.033 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015959335 553546654 /nfs/dbraw/zinc/54/66/54/553546654.db2.gz GPMILASLXAYRTN-YAGSXNBFSA-N 1 1 507.590 4.408 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015968083 553547181 /nfs/dbraw/zinc/54/71/81/553547181.db2.gz TXAPGBAUFDPOSG-LQCJGMINSA-N 1 1 507.590 4.408 50 0 KIAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996917 553549504 /nfs/dbraw/zinc/54/95/04/553549504.db2.gz HWDPFJYBEWFTIK-CMCWBKRRSA-N 1 1 503.908 4.204 50 0 KIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000659 553549944 /nfs/dbraw/zinc/54/99/44/553549944.db2.gz MOVHWHGVJBESTF-NARGUJOISA-N 1 1 503.908 4.407 50 0 KIAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010042 553550496 /nfs/dbraw/zinc/55/04/96/553550496.db2.gz BGHVDJNBCWPPKQ-NARGUJOISA-N 1 1 503.908 4.407 50 0 KIAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012094 553550670 /nfs/dbraw/zinc/55/06/70/553550670.db2.gz LZOTYZLKOZHFHC-NARGUJOISA-N 1 1 503.908 4.352 50 0 KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033885 553551713 /nfs/dbraw/zinc/55/17/13/553551713.db2.gz HYHXJRLPTXAGKQ-QLBZUPSYSA-N 1 1 503.908 4.352 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016037945 553552557 /nfs/dbraw/zinc/55/25/57/553552557.db2.gz KDWDLAAEGRKSBO-LIONHTAISA-N 1 1 513.937 4.223 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016037945 553552555 /nfs/dbraw/zinc/55/25/55/553552555.db2.gz KDWDLAAEGRKSBO-LIONHTAISA-N 1 1 513.937 4.223 50 0 KIAAMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000016319677 553560105 /nfs/dbraw/zinc/56/01/05/553560105.db2.gz NAYXBGSHJRQAAX-UHFFFAOYSA-N 1 1 506.466 4.097 50 0 KIAAMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)NCc1ccccc1 ZINC000016319886 553560081 /nfs/dbraw/zinc/56/00/81/553560081.db2.gz ZSHRWRQTLBOTPL-UHFFFAOYSA-N 1 1 503.668 4.274 50 0 KIAAMO CCCNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000016347047 553560640 /nfs/dbraw/zinc/56/06/40/553560640.db2.gz BLPHNAPGTJSIKF-UHFFFAOYSA-N 1 1 505.684 4.241 50 0 KIAAMO O=C(CCC1CCCC1)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000016652640 553571102 /nfs/dbraw/zinc/57/11/02/553571102.db2.gz LWLYQDZHGKBIJI-UHFFFAOYSA-N 1 1 513.654 4.469 50 0 KIAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1cccc(Cl)c1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000016652654 553571069 /nfs/dbraw/zinc/57/10/69/553571069.db2.gz UXTFULXKPHXTRY-UHFFFAOYSA-N 1 1 528.024 4.466 50 0 KIAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016693461 553573817 /nfs/dbraw/zinc/57/38/17/553573817.db2.gz UMBVJFYOZIGRGX-UHFFFAOYSA-N 1 1 528.074 4.278 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(Cl)c(C)cc4OC)CC3)n2)cc1 ZINC000017010292 553586151 /nfs/dbraw/zinc/58/61/51/553586151.db2.gz UXGRKFNFXGQTGF-UHFFFAOYSA-N 1 1 518.039 4.019 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C(C)(C)C)ccc4OC)CC3)n2)cc1 ZINC000017012661 553586164 /nfs/dbraw/zinc/58/61/64/553586164.db2.gz PDRCYBZTSPNAOL-UHFFFAOYSA-N 1 1 525.675 4.354 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5cccc6c5c4CC6)CC3)n2)cc1 ZINC000017012857 553586199 /nfs/dbraw/zinc/58/61/99/553586199.db2.gz QANCIAKWIANHMT-UHFFFAOYSA-N 1 1 515.639 4.300 50 0 KIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000017042590 553587130 /nfs/dbraw/zinc/58/71/30/553587130.db2.gz IRZNTQDXFGMORV-UHFFFAOYSA-N 1 1 513.383 4.404 50 0 KIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(I)c4)CC3)n2)cc1 ZINC000017042623 553587110 /nfs/dbraw/zinc/58/71/10/553587110.db2.gz VEXDFSIYWAZKOM-UHFFFAOYSA-N 1 1 513.383 4.404 50 0 KIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4I)CC3)n2)cc1 ZINC000017042650 553587174 /nfs/dbraw/zinc/58/71/74/553587174.db2.gz HJLBSWOTYRFVEC-UHFFFAOYSA-N 1 1 513.383 4.404 50 0 KIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000017042681 553587125 /nfs/dbraw/zinc/58/71/25/553587125.db2.gz HYXPQHLYMMGKBE-UHFFFAOYSA-N 1 1 502.438 4.110 50 0 KIAAMO CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270960 553592121 /nfs/dbraw/zinc/59/21/21/553592121.db2.gz OFZYGHVFDHMWNE-UHFFFAOYSA-N 1 1 511.648 4.227 50 0 KIAAMO CCOc1c(C)cc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)cc1C ZINC000017306981 553592811 /nfs/dbraw/zinc/59/28/11/553592811.db2.gz DKLRAJPOWPNTGE-UHFFFAOYSA-N 1 1 511.648 4.064 50 0 KIAAMO CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)c1 ZINC000017307249 553593149 /nfs/dbraw/zinc/59/31/49/553593149.db2.gz POSGHCXECLLJNC-UHFFFAOYSA-N 1 1 511.648 4.145 50 0 KIAAMO CC1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000017337554 553593723 /nfs/dbraw/zinc/59/37/23/553593723.db2.gz CTMZIBQWOSJUMY-UHFFFAOYSA-N 1 1 529.504 4.348 50 0 KIAAMO O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017337592 553593709 /nfs/dbraw/zinc/59/37/09/553593709.db2.gz ZPWIQZCZWIGCSP-UHFFFAOYSA-N 1 1 549.741 4.237 50 0 KIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000017357026 553594285 /nfs/dbraw/zinc/59/42/85/553594285.db2.gz OWNJZWDJIPHVPB-RUZDIDTESA-N 1 1 564.752 4.153 50 0 KIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000017357029 553594278 /nfs/dbraw/zinc/59/42/78/553594278.db2.gz OWNJZWDJIPHVPB-VWLOTQADSA-N 1 1 564.752 4.153 50 0 KIAAMO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@H]43)cc2)cc1 ZINC000017527643 553597076 /nfs/dbraw/zinc/59/70/76/553597076.db2.gz GTPVVSLQHUGVDB-XRKRLSELSA-N 1 1 549.693 4.432 50 0 KIAAMO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)cc2)cc1 ZINC000017527645 553597049 /nfs/dbraw/zinc/59/70/49/553597049.db2.gz GTPVVSLQHUGVDB-PXJZQJOASA-N 1 1 549.693 4.432 50 0 KIAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CC[NH+](CCCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019372393 553614623 /nfs/dbraw/zinc/61/46/23/553614623.db2.gz KQQYIVHXXRJYEA-UHFFFAOYSA-N 1 1 560.654 4.283 50 0 KIAAMO O=C(Cc1ccsc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019606567 553614862 /nfs/dbraw/zinc/61/48/62/553614862.db2.gz KBHLFAGQZFTFRL-HHHXNRCGSA-N 1 1 504.700 4.321 50 0 KIAAMO O=C(Cc1ccsc1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019606569 553615010 /nfs/dbraw/zinc/61/50/10/553615010.db2.gz KBHLFAGQZFTFRL-MHZLTWQESA-N 1 1 504.700 4.321 50 0 KIAAMO COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019707245 553615435 /nfs/dbraw/zinc/61/54/35/553615435.db2.gz CMNHRPXKYVRNHY-PLRJNAJWSA-N 1 1 524.017 4.218 50 0 KIAAMO 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Cc1ccc(C)n1CC[NH+]1CCN(C(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)CC1 ZINC000019825362 553621207 /nfs/dbraw/zinc/62/12/07/553621207.db2.gz FHLDVEDGIJRKNY-UHFFFAOYSA-N 1 1 506.720 4.221 50 0 KIAAMO COc1ccccc1C(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019837271 553623375 /nfs/dbraw/zinc/62/33/75/553623375.db2.gz OTOHFMFQRNPYLV-HHHXNRCGSA-N 1 1 514.670 4.339 50 0 KIAAMO COc1ccccc1C(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000019837273 553623336 /nfs/dbraw/zinc/62/33/36/553623336.db2.gz OTOHFMFQRNPYLV-MHZLTWQESA-N 1 1 514.670 4.339 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000019855626 553624431 /nfs/dbraw/zinc/62/44/31/553624431.db2.gz XBYZCZIFEZTHAF-UHFFFAOYSA-N 1 1 502.324 4.174 50 0 KIAAMO O[C@@H](COc1ccc2ccccc2c1)CN1CCC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019880477 553629223 /nfs/dbraw/zinc/62/92/23/553629223.db2.gz QGGSJFJKVFNWPD-FQLXRVMXSA-N 1 1 500.639 4.180 50 0 KIAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(C(=O)c5ccccc5)CC4)CC3)C2=O)cc1 ZINC000019890281 553629814 /nfs/dbraw/zinc/62/98/14/553629814.db2.gz QOIBXYLUZQUUIW-MHZLTWQESA-N 1 1 503.643 4.372 50 0 KIAAMO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000019890985 553630107 /nfs/dbraw/zinc/63/01/07/553630107.db2.gz CTFDEXMPTQFASW-UHFFFAOYSA-N 1 1 512.075 4.348 50 0 KIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2Cl)cc1 ZINC000019891198 553630138 /nfs/dbraw/zinc/63/01/38/553630138.db2.gz JFTOVFJXHMRGFS-UHFFFAOYSA-N 1 1 512.075 4.184 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000019891664 553630173 /nfs/dbraw/zinc/63/01/73/553630173.db2.gz AMMXDUUSRMLWQH-HOTGVXAUSA-N 1 1 506.356 4.302 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000019891669 553630085 /nfs/dbraw/zinc/63/00/85/553630085.db2.gz AMMXDUUSRMLWQH-CVEARBPZSA-N 1 1 506.356 4.302 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000019891674 553630114 /nfs/dbraw/zinc/63/01/14/553630114.db2.gz AMMXDUUSRMLWQH-HZPDHXFCSA-N 1 1 506.356 4.302 50 0 KIAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019901357 553632917 /nfs/dbraw/zinc/63/29/17/553632917.db2.gz VZVJAPREYVGFJA-MUUNZHRXSA-N 1 1 517.695 4.472 50 0 KIAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019901359 553632846 /nfs/dbraw/zinc/63/28/46/553632846.db2.gz VZVJAPREYVGFJA-NDEPHWFRSA-N 1 1 517.695 4.472 50 0 KIAAMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000019901842 553632807 /nfs/dbraw/zinc/63/28/07/553632807.db2.gz OYDVSAQBHAPGML-DEOSSOPVSA-N 1 1 529.681 4.099 50 0 KIAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000019901845 553632910 /nfs/dbraw/zinc/63/29/10/553632910.db2.gz OYDVSAQBHAPGML-XMMPIXPASA-N 1 1 529.681 4.099 50 0 KIAAMO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020028449 553663791 /nfs/dbraw/zinc/66/37/91/553663791.db2.gz QFBJREVUMCLCLU-UHFFFAOYSA-N 1 1 517.573 4.245 50 0 KIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)c(Cl)c2)cc1 ZINC000020028455 553663832 /nfs/dbraw/zinc/66/38/32/553663832.db2.gz IIUZBJBZDNDJSB-UHFFFAOYSA-N 1 1 512.075 4.497 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035839 553667716 /nfs/dbraw/zinc/66/77/16/553667716.db2.gz MEHHQICZKGVHPM-UHFFFAOYSA-N 1 1 523.633 4.469 50 0 KIAAMO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)cc1Cl ZINC000020057946 553671401 /nfs/dbraw/zinc/67/14/01/553671401.db2.gz LCCDUBCLXMDAHT-UHFFFAOYSA-N 1 1 504.439 4.188 50 0 KIAAMO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020058062 553671443 /nfs/dbraw/zinc/67/14/43/553671443.db2.gz TYBCPNQDBOEMBG-UHFFFAOYSA-N 1 1 516.038 4.014 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104103 553688144 /nfs/dbraw/zinc/68/81/44/553688144.db2.gz NUFCNSBBRBYDGC-WUFINQPMSA-N 1 1 505.659 4.147 50 0 KIAAMO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104105 553688214 /nfs/dbraw/zinc/68/82/14/553688214.db2.gz NUFCNSBBRBYDGC-NSOVKSMOSA-N 1 1 505.659 4.147 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104107 553688131 /nfs/dbraw/zinc/68/81/31/553688131.db2.gz NUFCNSBBRBYDGC-VSGBNLITSA-N 1 1 505.659 4.147 50 0 KIAAMO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104109 553688149 /nfs/dbraw/zinc/68/81/49/553688149.db2.gz NUFCNSBBRBYDGC-IZLXSDGUSA-N 1 1 505.659 4.147 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104160 553688107 /nfs/dbraw/zinc/68/81/07/553688107.db2.gz LZKJMVICTQPITL-XZWHSSHBSA-N 1 1 532.729 4.452 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104162 553688121 /nfs/dbraw/zinc/68/81/21/553688121.db2.gz LZKJMVICTQPITL-LOYHVIPDSA-N 1 1 532.729 4.452 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104164 553688187 /nfs/dbraw/zinc/68/81/87/553688187.db2.gz LZKJMVICTQPITL-KYJUHHDHSA-N 1 1 532.729 4.452 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104166 553688205 /nfs/dbraw/zinc/68/82/05/553688205.db2.gz LZKJMVICTQPITL-IHLOFXLRSA-N 1 1 532.729 4.452 50 0 KIAAMO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104318 553688457 /nfs/dbraw/zinc/68/84/57/553688457.db2.gz BQVAXSMFEONHTN-WDYNHAJCSA-N 1 1 529.637 4.028 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000020105036 553689470 /nfs/dbraw/zinc/68/94/70/553689470.db2.gz CDABTYXDDFLVMK-XZWHSSHBSA-N 1 1 525.649 4.105 50 0 KIAAMO CCOc1ccc(-n2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000020107340 553690571 /nfs/dbraw/zinc/69/05/71/553690571.db2.gz KWWNLUUYBBKJHJ-UHFFFAOYSA-N 1 1 527.621 4.365 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109069 553691768 /nfs/dbraw/zinc/69/17/68/553691768.db2.gz LEDBDYAGLMCHAP-URLMMPGGSA-N 1 1 531.628 4.154 50 0 KIAAMO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109070 553692062 /nfs/dbraw/zinc/69/20/62/553692062.db2.gz LEDBDYAGLMCHAP-VMPREFPWSA-N 1 1 531.628 4.154 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109072 553692066 /nfs/dbraw/zinc/69/20/66/553692066.db2.gz LEDBDYAGLMCHAP-FQLXRVMXSA-N 1 1 531.628 4.154 50 0 KIAAMO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020109074 553692084 /nfs/dbraw/zinc/69/20/84/553692084.db2.gz LEDBDYAGLMCHAP-WDYNHAJCSA-N 1 1 531.628 4.154 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109110 553691986 /nfs/dbraw/zinc/69/19/86/553691986.db2.gz NBSUMYIUXGURDO-WUFINQPMSA-N 1 1 501.602 4.479 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109111 553692073 /nfs/dbraw/zinc/69/20/73/553692073.db2.gz NBSUMYIUXGURDO-VSGBNLITSA-N 1 1 501.602 4.479 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109113 553692078 /nfs/dbraw/zinc/69/20/78/553692078.db2.gz NBSUMYIUXGURDO-NSOVKSMOSA-N 1 1 501.602 4.479 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109115 553692032 /nfs/dbraw/zinc/69/20/32/553692032.db2.gz NBSUMYIUXGURDO-IZLXSDGUSA-N 1 1 501.602 4.479 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020113065 553695017 /nfs/dbraw/zinc/69/50/17/553695017.db2.gz HCQSQECNMUBLES-RTPQPHRDSA-N 1 1 523.674 4.107 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020113070 553695056 /nfs/dbraw/zinc/69/50/56/553695056.db2.gz HCQSQECNMUBLES-XNGOEPGBSA-N 1 1 523.674 4.107 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114300 553695751 /nfs/dbraw/zinc/69/57/51/553695751.db2.gz ILHXCVGIXMLMEU-BKOJROOZSA-N 1 1 511.638 4.238 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115136 553696554 /nfs/dbraw/zinc/69/65/54/553696554.db2.gz XMJAFJFROFBYEG-DEOSSOPVSA-N 1 1 528.122 4.007 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115138 553696577 /nfs/dbraw/zinc/69/65/77/553696577.db2.gz XMJAFJFROFBYEG-XMMPIXPASA-N 1 1 528.122 4.007 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116154 553697521 /nfs/dbraw/zinc/69/75/21/553697521.db2.gz JRUPYIDWUVPALG-LNGGCWNSSA-N 1 1 508.751 4.053 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116157 553697379 /nfs/dbraw/zinc/69/73/79/553697379.db2.gz JRUPYIDWUVPALG-SWENQFBLSA-N 1 1 508.751 4.053 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000020179326 553603077 /nfs/dbraw/zinc/60/30/77/553603077.db2.gz SXRYWIGBBUJVLK-RRAHZORUSA-N 1 1 515.585 4.245 50 0 KIAAMO CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000020180533 553604307 /nfs/dbraw/zinc/60/43/07/553604307.db2.gz SXMNGCFYWBGHKB-JCMHNJIXSA-N 1 1 505.562 4.267 50 0 KIAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000020183216 553604953 /nfs/dbraw/zinc/60/49/53/553604953.db2.gz KJJYRDQKTBWBIN-UHFFFAOYSA-N 1 1 522.694 4.018 50 0 KIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020208947 553609854 /nfs/dbraw/zinc/60/98/54/553609854.db2.gz UXJUIVILUHYBDS-AOLGGSBGSA-N 1 1 505.659 4.311 50 0 KIAAMO COc1cccc(-c2nn(C)c3sc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc23)c1 ZINC000020233480 553619063 /nfs/dbraw/zinc/61/90/63/553619063.db2.gz JFYIFADUYPUSOO-UHFFFAOYSA-N 1 1 503.672 4.248 50 0 KIAAMO COc1ccc(-c2nn(C)c3sc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc23)cc1OC ZINC000020233785 553619491 /nfs/dbraw/zinc/61/94/91/553619491.db2.gz BMANRVGWGOTKLU-UHFFFAOYSA-N 1 1 533.698 4.257 50 0 KIAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)NCc1ccc2c(c1)OCO2 ZINC000020235625 553622184 /nfs/dbraw/zinc/62/21/84/553622184.db2.gz RHDNGQKLAXPBJJ-UHFFFAOYSA-N 1 1 508.578 4.126 50 0 KIAAMO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243098 553628364 /nfs/dbraw/zinc/62/83/64/553628364.db2.gz RKUGGCFLZFHKSF-UHFFFAOYSA-N 1 1 524.042 4.159 50 0 KIAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243272 553628600 /nfs/dbraw/zinc/62/86/00/553628600.db2.gz DFEWNACEVLGWPE-UHFFFAOYSA-N 1 1 517.651 4.122 50 0 KIAAMO COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)c(C)n3n2)c(OC)c1 ZINC000020282741 553631673 /nfs/dbraw/zinc/63/16/73/553631673.db2.gz QKTPQKWELIQVMQ-UHFFFAOYSA-N 1 1 513.642 4.307 50 0 KIAAMO O=C(CCC(=O)OCCc1ccccc1)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020283393 553631649 /nfs/dbraw/zinc/63/16/49/553631649.db2.gz JUCUACPRLQQRAG-UHFFFAOYSA-N 1 1 515.679 4.361 50 0 KIAAMO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000020289768 553634961 /nfs/dbraw/zinc/63/49/61/553634961.db2.gz SWBRZTIIMNCKTG-WTYVLRPYSA-N 1 1 509.672 4.385 50 0 KIAAMO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000020289770 553634932 /nfs/dbraw/zinc/63/49/32/553634932.db2.gz SWBRZTIIMNCKTG-PIIWDFAUSA-N 1 1 509.672 4.385 50 0 KIAAMO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000020289773 553634995 /nfs/dbraw/zinc/63/49/95/553634995.db2.gz SWBRZTIIMNCKTG-MMTVBGGISA-N 1 1 509.672 4.385 50 0 KIAAMO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000020289776 553635020 /nfs/dbraw/zinc/63/50/20/553635020.db2.gz SWBRZTIIMNCKTG-NGOKVRLYSA-N 1 1 509.672 4.385 50 0 KIAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccc(C(C)C)cc1 ZINC000020323194 553638214 /nfs/dbraw/zinc/63/82/14/553638214.db2.gz BFMPIDQEQCKHLC-UHFFFAOYSA-N 1 1 517.740 4.126 50 0 KIAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)C2=O)c1 ZINC000020355229 553641073 /nfs/dbraw/zinc/64/10/73/553641073.db2.gz VBWDUJGXLQDYJQ-XHLNEMQHSA-N 1 1 511.622 4.414 50 0 KIAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000020388881 553644441 /nfs/dbraw/zinc/64/44/41/553644441.db2.gz BZOQOFUESKKRLQ-RUZDIDTESA-N 1 1 505.732 4.454 50 0 KIAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000020388888 553644450 /nfs/dbraw/zinc/64/44/50/553644450.db2.gz BZOQOFUESKKRLQ-VWLOTQADSA-N 1 1 505.732 4.454 50 0 KIAAMO CN1CC[NH+](CCCNC(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3)cc2)CC1 ZINC000020389130 553644757 /nfs/dbraw/zinc/64/47/57/553644757.db2.gz ZAGZIKFZODIKTJ-UHFFFAOYSA-N 1 1 514.699 4.139 50 0 KIAAMO COc1ccc(OC)c(C[N@@H+](CCN2CCOCC2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)c1 ZINC000020412820 553647230 /nfs/dbraw/zinc/64/72/30/553647230.db2.gz SPMVOGOLDSKNHL-RHZKHNMOSA-N 1 1 512.691 4.152 50 0 biogenic KIAAMO COc1ccc(OC)c(C[N@@H+](CCN2CCOCC2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)c1 ZINC000020412824 553647484 /nfs/dbraw/zinc/64/74/84/553647484.db2.gz SPMVOGOLDSKNHL-HREWNLAKSA-N 1 1 512.691 4.152 50 0 biogenic KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000020413147 553647341 /nfs/dbraw/zinc/64/73/41/553647341.db2.gz HEEUWCILVPJPQJ-UHFFFAOYSA-N 1 1 501.656 4.224 50 0 KIAAMO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421535 553648008 /nfs/dbraw/zinc/64/80/08/553648008.db2.gz SGCOPKXYWHFJJK-INIZCTEOSA-N 1 1 508.766 4.387 50 0 KIAAMO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421536 553648014 /nfs/dbraw/zinc/64/80/14/553648014.db2.gz SGCOPKXYWHFJJK-MRXNPFEDSA-N 1 1 508.766 4.387 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000020435739 553648335 /nfs/dbraw/zinc/64/83/35/553648335.db2.gz XDWSMVJHEYEZRC-WMZOPIPTSA-N 1 1 506.356 4.302 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000020435741 553648331 /nfs/dbraw/zinc/64/83/31/553648331.db2.gz XDWSMVJHEYEZRC-FUHWJXTLSA-N 1 1 506.356 4.302 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000020435742 553648372 /nfs/dbraw/zinc/64/83/72/553648372.db2.gz XDWSMVJHEYEZRC-AEFFLSMTSA-N 1 1 506.356 4.302 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000020435744 553648328 /nfs/dbraw/zinc/64/83/28/553648328.db2.gz XDWSMVJHEYEZRC-SJLPKXTDSA-N 1 1 506.356 4.302 50 0 KIAAMO COc1ccccc1CNC(=O)CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCOCC1 ZINC000020451967 553651615 /nfs/dbraw/zinc/65/16/15/553651615.db2.gz RRMNPTASZJFGFN-LMSSTIIKSA-N 1 1 501.671 4.468 50 0 KIAAMO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N2CC[NH+](CCO)CC2)n1 ZINC000020463326 553656877 /nfs/dbraw/zinc/65/68/77/553656877.db2.gz PWXRPEKWNWJKCX-UHFFFAOYSA-N 1 1 501.722 4.126 50 0 KIAAMO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000020500971 553667701 /nfs/dbraw/zinc/66/77/01/553667701.db2.gz GBGGOBFAKQMWIK-JOCHJYFZSA-N 1 1 516.067 4.196 50 0 KIAAMO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000020500973 553667733 /nfs/dbraw/zinc/66/77/33/553667733.db2.gz GBGGOBFAKQMWIK-QFIPXVFZSA-N 1 1 516.067 4.196 50 0 KIAAMO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CC[NH+](C)CC2)cc1OCC ZINC000020502101 553667626 /nfs/dbraw/zinc/66/76/26/553667626.db2.gz KWGYMOXATRPKCA-SANMLTNESA-N 1 1 539.717 4.197 50 0 KIAAMO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CC[NH+](C)CC2)cc1OCC ZINC000020502103 553667664 /nfs/dbraw/zinc/66/76/64/553667664.db2.gz KWGYMOXATRPKCA-AREMUKBSSA-N 1 1 539.717 4.197 50 0 KIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CCOC)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508258 553668101 /nfs/dbraw/zinc/66/81/01/553668101.db2.gz SPXNBAAQUJGQOD-WUFINQPMSA-N 1 1 532.710 4.451 50 0 KIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CCOC)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508261 553668071 /nfs/dbraw/zinc/66/80/71/553668071.db2.gz SPXNBAAQUJGQOD-VSGBNLITSA-N 1 1 532.710 4.451 50 0 KIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CCOC)[C@H]3c3cccs3)cc2)CC1 ZINC000020508264 553668106 /nfs/dbraw/zinc/66/81/06/553668106.db2.gz SPXNBAAQUJGQOD-NSOVKSMOSA-N 1 1 532.710 4.451 50 0 KIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CCOC)[C@H]3c3cccs3)cc2)CC1 ZINC000020508266 553668082 /nfs/dbraw/zinc/66/80/82/553668082.db2.gz SPXNBAAQUJGQOD-IZLXSDGUSA-N 1 1 532.710 4.451 50 0 KIAAMO O=C1CS[C@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccc(Cl)cc1 ZINC000020529016 553669743 /nfs/dbraw/zinc/66/97/43/553669743.db2.gz MZBPTLTYORXXRV-NDEPHWFRSA-N 1 1 519.070 4.395 50 0 KIAAMO O=C1CS[C@@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccc(Cl)cc1 ZINC000020529018 553669680 /nfs/dbraw/zinc/66/96/80/553669680.db2.gz MZBPTLTYORXXRV-MUUNZHRXSA-N 1 1 519.070 4.395 50 0 KIAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020559418 553671980 /nfs/dbraw/zinc/67/19/80/553671980.db2.gz UCQBEVAASLFCIE-UHFFFAOYSA-N 1 1 500.622 4.048 50 0 KIAAMO COc1cc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561621 553672519 /nfs/dbraw/zinc/67/25/19/553672519.db2.gz NRYOTKASPJLDKJ-AREMUKBSSA-N 1 1 529.637 4.144 50 0 KIAAMO COc1cc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561624 553672577 /nfs/dbraw/zinc/67/25/77/553672577.db2.gz NRYOTKASPJLDKJ-SANMLTNESA-N 1 1 529.637 4.144 50 0 KIAAMO CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566885 553673640 /nfs/dbraw/zinc/67/36/40/553673640.db2.gz MJRMUZWTEQGRHA-AREMUKBSSA-N 1 1 502.659 4.023 50 0 KIAAMO CSc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000020568079 553673694 /nfs/dbraw/zinc/67/36/94/553673694.db2.gz SBFHXMWVGOLHDE-UHFFFAOYSA-N 1 1 509.697 4.257 50 0 KIAAMO c1cc(CN2CCN(Cc3ccccc3)CC2)n(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1 ZINC000020576563 553676194 /nfs/dbraw/zinc/67/61/94/553676194.db2.gz YJDQQZDQBJWCPF-UHFFFAOYSA-N 1 1 505.736 4.101 50 0 KIAAMO CC[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3ccccc3Cl)CC2)CC1 ZINC000020599396 553677213 /nfs/dbraw/zinc/67/72/13/553677213.db2.gz VZQNJRXUDHPTNS-AHWVRZQESA-N 1 1 528.166 4.099 50 0 KIAAMO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644183 553684011 /nfs/dbraw/zinc/68/40/11/553684011.db2.gz FNBXEXIKRSDCQK-UHFFFAOYSA-N 1 1 515.477 4.102 50 0 KIAAMO O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020644190 553684006 /nfs/dbraw/zinc/68/40/06/553684006.db2.gz ODYRAIPMDRYFLM-UHFFFAOYSA-N 1 1 515.477 4.009 50 0 KIAAMO COc1ccc(CCNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)cc1OC ZINC000020687944 553689615 /nfs/dbraw/zinc/68/96/15/553689615.db2.gz PVMZSNFIZVJLNQ-UHFFFAOYSA-N 1 1 538.758 4.066 50 0 biogenic KIAAMO COc1ccc(CNC(=O)CNC(=S)N2CC[N@@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)c(OC)c1 ZINC000020687972 553689581 /nfs/dbraw/zinc/68/95/81/553689581.db2.gz GWHIWGIURDOKRV-UHFFFAOYSA-N 1 1 524.731 4.024 50 0 KIAAMO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020727641 553690628 /nfs/dbraw/zinc/69/06/28/553690628.db2.gz SEZTXFOYPVTPJJ-JWGURIENSA-N 1 1 505.562 4.024 50 0 KIAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCN(C)CC4)cc3)C2=O)cc1 ZINC000020732287 553692422 /nfs/dbraw/zinc/69/24/22/553692422.db2.gz VRHHFYMCGUXOLU-JBASAIQMSA-N 1 1 524.665 4.329 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020760303 553695549 /nfs/dbraw/zinc/69/55/49/553695549.db2.gz RTKJDJBFNHJCPY-ICIKWEMMSA-N 1 1 504.590 4.075 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020760307 553695569 /nfs/dbraw/zinc/69/55/69/553695569.db2.gz RTKJDJBFNHJCPY-NYMOBWSISA-N 1 1 504.590 4.075 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020760312 553695502 /nfs/dbraw/zinc/69/55/02/553695502.db2.gz RTKJDJBFNHJCPY-SDKBUELTSA-N 1 1 504.590 4.075 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020760317 553695929 /nfs/dbraw/zinc/69/59/29/553695929.db2.gz RTKJDJBFNHJCPY-JPUNLMIZSA-N 1 1 504.590 4.075 50 0 biogenic KIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020840913 553699136 /nfs/dbraw/zinc/69/91/36/553699136.db2.gz CFLGOQDUSVIAAW-UHFFFAOYSA-N 1 1 507.637 4.279 50 0 KIAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020840913 553699134 /nfs/dbraw/zinc/69/91/34/553699134.db2.gz CFLGOQDUSVIAAW-UHFFFAOYSA-N 1 1 507.637 4.279 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000020864363 553700396 /nfs/dbraw/zinc/70/03/96/553700396.db2.gz GVQCVHIUSPGZHP-UHFFFAOYSA-N 1 1 501.656 4.224 50 0 KIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000020918677 553704244 /nfs/dbraw/zinc/70/42/44/553704244.db2.gz SSUMQGHCOWKZDT-ITOWZWGRSA-N 1 1 530.669 4.269 50 0 KIAAMO O=C(COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2ncccn2)CC1)NCc1cccc(F)c1 ZINC000020995295 553705330 /nfs/dbraw/zinc/70/53/30/553705330.db2.gz BJYDMEDKPUUURE-UHFFFAOYSA-N 1 1 517.630 4.362 50 0 KIAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020996042 553705402 /nfs/dbraw/zinc/70/54/02/553705402.db2.gz YDJFNYASBAVWDL-RBJSKKJNSA-N 1 1 529.100 4.131 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020996042 553705399 /nfs/dbraw/zinc/70/53/99/553705399.db2.gz YDJFNYASBAVWDL-RBJSKKJNSA-N 1 1 529.100 4.131 50 0 KIAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000021090373 553706286 /nfs/dbraw/zinc/70/62/86/553706286.db2.gz IXDVOUOSKOPFLO-BUHFOSPRSA-N 1 1 528.719 4.243 50 0 KIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000021526180 553710513 /nfs/dbraw/zinc/71/05/13/553710513.db2.gz QHIINQLEPUEXCC-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000021526180 553710512 /nfs/dbraw/zinc/71/05/12/553710512.db2.gz QHIINQLEPUEXCC-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO Fc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CC[NH+](Cc5ccccc5)CC4)s3)CC2)cc1 ZINC000021531640 553710456 /nfs/dbraw/zinc/71/04/56/553710456.db2.gz KNVWVVULQBUGMC-UHFFFAOYSA-N 1 1 517.678 4.112 50 0 KIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000022034905 1064276833 /nfs/dbraw/zinc/27/68/33/1064276833.db2.gz KXJDATTZBGHUIB-DHZHZOJOSA-N 1 1 500.690 4.283 50 0 KIAAMO CSc1cc(C)nc(SC)c1NC(=O)CN1CC[NH+](CCSc2nc3ccccc3[nH]2)CC1 ZINC000022445504 553742278 /nfs/dbraw/zinc/74/22/78/553742278.db2.gz VGGMTOYKEDKFLN-UHFFFAOYSA-N 1 1 502.735 4.059 50 0 KIAAMO Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](CCO)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000022635331 553748715 /nfs/dbraw/zinc/74/87/15/553748715.db2.gz HZFSHJOLWXXHME-NRFANRHFSA-N 1 1 526.747 4.317 50 0 KIAAMO Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](CCO)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000022635335 553748843 /nfs/dbraw/zinc/74/88/43/553748843.db2.gz HZFSHJOLWXXHME-OAQYLSRUSA-N 1 1 526.747 4.317 50 0 KIAAMO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[NH+](CCO)CC3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000022635342 553748733 /nfs/dbraw/zinc/74/87/33/553748733.db2.gz VIUJKRCZAAMDII-GOSISDBHSA-N 1 1 533.138 4.353 50 0 KIAAMO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[NH+](CCO)CC3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000022635346 553748809 /nfs/dbraw/zinc/74/88/09/553748809.db2.gz VIUJKRCZAAMDII-SFHVURJKSA-N 1 1 533.138 4.353 50 0 KIAAMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022785501 553749750 /nfs/dbraw/zinc/74/97/50/553749750.db2.gz MTJKFSGDAGYDLL-ISKFKSNPSA-N 1 1 515.654 4.007 50 0 KIAAMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022785645 553749889 /nfs/dbraw/zinc/74/98/89/553749889.db2.gz MTJKFSGDAGYDLL-VWNXMTODSA-N 1 1 515.654 4.007 50 0 KIAAMO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801544 553751024 /nfs/dbraw/zinc/75/10/24/553751024.db2.gz QGGSJFJKVFNWPD-ISILISOKSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@@H](COc1ccc2ccccc2c1)C[N@H+]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801544 553751020 /nfs/dbraw/zinc/75/10/20/553751020.db2.gz QGGSJFJKVFNWPD-ISILISOKSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@@H](COc1ccc2ccccc2c1)CN1CCC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801544 553751017 /nfs/dbraw/zinc/75/10/17/553751017.db2.gz QGGSJFJKVFNWPD-ISILISOKSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@H](COc1ccc2ccccc2c1)CN1CCC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801550 553750999 /nfs/dbraw/zinc/75/09/99/553750999.db2.gz QGGSJFJKVFNWPD-VMPREFPWSA-N 1 1 500.639 4.180 50 0 KIAAMO CCOC(=O)C1C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000022828631 553753864 /nfs/dbraw/zinc/75/38/64/553753864.db2.gz OPZSYMWKCFJYOA-GCLMJIJYSA-N 1 1 513.082 4.098 50 0 KIAAMO CCOC(=O)C1C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000022828634 553753808 /nfs/dbraw/zinc/75/38/08/553753808.db2.gz OPZSYMWKCFJYOA-CZILXDHESA-N 1 1 513.082 4.098 50 0 KIAAMO CCOC(=O)C1=C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000022828657 553754122 /nfs/dbraw/zinc/75/41/22/553754122.db2.gz XBRQAQUVRMMMOQ-DBUDQHHESA-N 1 1 506.691 4.061 50 0 KIAAMO CCOC(=O)C1=C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000022828660 553754075 /nfs/dbraw/zinc/75/40/75/553754075.db2.gz XBRQAQUVRMMMOQ-GFJWVSBCSA-N 1 1 506.691 4.061 50 0 KIAAMO C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022852803 553761858 /nfs/dbraw/zinc/76/18/58/553761858.db2.gz YCGGBHUFLIRGGS-CJFMBICVSA-N 1 1 511.091 4.082 50 0 KIAAMO C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022852805 553761910 /nfs/dbraw/zinc/76/19/10/553761910.db2.gz YCGGBHUFLIRGGS-NBGIEHNGSA-N 1 1 511.091 4.082 50 0 KIAAMO C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022852807 553761932 /nfs/dbraw/zinc/76/19/32/553761932.db2.gz YCGGBHUFLIRGGS-NLFFAJNJSA-N 1 1 511.091 4.082 50 0 KIAAMO C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022852809 553761907 /nfs/dbraw/zinc/76/19/07/553761907.db2.gz YCGGBHUFLIRGGS-CPJSRVTESA-N 1 1 511.091 4.082 50 0 KIAAMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022853014 1064278150 /nfs/dbraw/zinc/27/81/50/1064278150.db2.gz KGZJGTJXWCRSGZ-UHFFFAOYSA-N 1 1 571.143 4.294 50 0 KIAAMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022853650 553761901 /nfs/dbraw/zinc/76/19/01/553761901.db2.gz MTJKFSGDAGYDLL-UPVQGACJSA-N 1 1 515.654 4.007 50 0 KIAAMO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022853653 553761929 /nfs/dbraw/zinc/76/19/29/553761929.db2.gz MTJKFSGDAGYDLL-LADGPHEKSA-N 1 1 515.654 4.007 50 0 KIAAMO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022914575 553766551 /nfs/dbraw/zinc/76/65/51/553766551.db2.gz NHWHPFPIBRVEBJ-JQYKHWSXSA-N 1 1 504.671 4.441 50 0 KIAAMO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022914581 553766491 /nfs/dbraw/zinc/76/64/91/553766491.db2.gz NHWHPFPIBRVEBJ-RNYRYNLVSA-N 1 1 504.671 4.441 50 0 KIAAMO COc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000022916863 553766814 /nfs/dbraw/zinc/76/68/14/553766814.db2.gz QNNOHUQVXGYMKZ-SFHVURJKSA-N 1 1 528.719 4.355 50 0 KIAAMO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O ZINC000022917402 553766899 /nfs/dbraw/zinc/76/68/99/553766899.db2.gz SRGWVGSMTCFUML-JLHYYAGUSA-N 1 1 509.650 4.479 50 0 KIAAMO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)C[NH+]1CCN(C[C@H](O)COc2ccc([C@@H]3C=CCC3)cc2)CC1 ZINC000022918523 553766836 /nfs/dbraw/zinc/76/68/36/553766836.db2.gz MIYQPXBEPVFSNI-SQYWJIFTSA-N 1 1 518.698 4.351 50 0 KIAAMO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@@H]3C=CCC3)cc2)CC1 ZINC000022918523 553766834 /nfs/dbraw/zinc/76/68/34/553766834.db2.gz MIYQPXBEPVFSNI-SQYWJIFTSA-N 1 1 518.698 4.351 50 0 KIAAMO COc1ccc(OCC[NH+]2CCN(C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)CC2)cc1 ZINC000022927434 553767354 /nfs/dbraw/zinc/76/73/54/553767354.db2.gz FAWGVENOIUZTPR-HHHXNRCGSA-N 1 1 504.671 4.457 50 0 KIAAMO COc1ccc(OCCN2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)CC2)cc1 ZINC000022927434 553767352 /nfs/dbraw/zinc/76/73/52/553767352.db2.gz FAWGVENOIUZTPR-HHHXNRCGSA-N 1 1 504.671 4.457 50 0 KIAAMO COc1ccc(OCC[NH+]2CCN(C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)CC2)cc1 ZINC000022927438 553767347 /nfs/dbraw/zinc/76/73/47/553767347.db2.gz FAWGVENOIUZTPR-MHZLTWQESA-N 1 1 504.671 4.457 50 0 KIAAMO COc1ccc(OCCN2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)CC2)cc1 ZINC000022927438 553767346 /nfs/dbraw/zinc/76/73/46/553767346.db2.gz FAWGVENOIUZTPR-MHZLTWQESA-N 1 1 504.671 4.457 50 0 KIAAMO CN1CC[NH+](CCCNC(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022938928 553768163 /nfs/dbraw/zinc/76/81/63/553768163.db2.gz SZODGJRZXSMEMW-ANYBSYGZSA-N 1 1 528.628 4.160 50 0 KIAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCN(C)CC4)cc3)C2=O)c1 ZINC000022938930 553768146 /nfs/dbraw/zinc/76/81/46/553768146.db2.gz YOYRJRDZVIQYKO-JBASAIQMSA-N 1 1 524.665 4.329 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000022952207 553768733 /nfs/dbraw/zinc/76/87/33/553768733.db2.gz BZGHGYOSUQUOFB-IOWSJCHKSA-N 1 1 556.707 4.333 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000022952210 553768741 /nfs/dbraw/zinc/76/87/41/553768741.db2.gz BZGHGYOSUQUOFB-FIRIVFDPSA-N 1 1 556.707 4.333 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000022952214 553768657 /nfs/dbraw/zinc/76/86/57/553768657.db2.gz BZGHGYOSUQUOFB-CONSDPRKSA-N 1 1 556.707 4.333 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000022952216 553768823 /nfs/dbraw/zinc/76/88/23/553768823.db2.gz BZGHGYOSUQUOFB-JSOSNVBQSA-N 1 1 556.707 4.333 50 0 KIAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)CCO)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000023055300 553769086 /nfs/dbraw/zinc/76/90/86/553769086.db2.gz MDCFQDXKZCCGHG-MUUNZHRXSA-N 1 1 509.610 4.150 50 0 KIAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)CCO)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000023055300 553769081 /nfs/dbraw/zinc/76/90/81/553769081.db2.gz MDCFQDXKZCCGHG-MUUNZHRXSA-N 1 1 509.610 4.150 50 0 KIAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)CCO)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000023055301 553769150 /nfs/dbraw/zinc/76/91/50/553769150.db2.gz MDCFQDXKZCCGHG-NDEPHWFRSA-N 1 1 509.610 4.150 50 0 KIAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)CCO)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000023055301 553769149 /nfs/dbraw/zinc/76/91/49/553769149.db2.gz MDCFQDXKZCCGHG-NDEPHWFRSA-N 1 1 509.610 4.150 50 0 KIAAMO O=C(Cc1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023159055 553771287 /nfs/dbraw/zinc/77/12/87/553771287.db2.gz KSBGSJUZFHPLAY-AREMUKBSSA-N 1 1 504.700 4.321 50 0 KIAAMO O=C(Cc1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023159058 553771391 /nfs/dbraw/zinc/77/13/91/553771391.db2.gz KSBGSJUZFHPLAY-SANMLTNESA-N 1 1 504.700 4.321 50 0 KIAAMO CC(C)Cc1nc(-c2ccc(C[NH+]3CCN(C(=O)CCCNC(=O)OCc4ccccc4)CC3)cc2)no1 ZINC000023329769 553773106 /nfs/dbraw/zinc/77/31/06/553773106.db2.gz PAMOVUJRLJCPGB-UHFFFAOYSA-N 1 1 519.646 4.286 50 0 KIAAMO C[N@@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000023338662 553774420 /nfs/dbraw/zinc/77/44/20/553774420.db2.gz WNMFIQZWUDVRJS-UHFFFAOYSA-N 1 1 530.694 4.252 50 0 KIAAMO COCCNC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023339195 553774442 /nfs/dbraw/zinc/77/44/42/553774442.db2.gz MMQVEMHYXBTREG-RPLLCQBOSA-N 1 1 532.651 4.261 50 0 KIAAMO COCCNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023339195 553774441 /nfs/dbraw/zinc/77/44/41/553774441.db2.gz MMQVEMHYXBTREG-RPLLCQBOSA-N 1 1 532.651 4.261 50 0 KIAAMO CC[NH+]1CCN(C2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)nc3N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000023358632 553774468 /nfs/dbraw/zinc/77/44/68/553774468.db2.gz DGNXJBATIHMTCR-SZPZYZBQSA-N 1 1 526.125 4.258 50 0 KIAAMO Cc1nc(CC(=O)N2CCC[C@@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000023361661 553774747 /nfs/dbraw/zinc/77/47/47/553774747.db2.gz LPOJRFXMTQDKGV-AREMUKBSSA-N 1 1 519.715 4.024 50 0 KIAAMO Cc1nc(CC(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000023361663 553774752 /nfs/dbraw/zinc/77/47/52/553774752.db2.gz LPOJRFXMTQDKGV-SANMLTNESA-N 1 1 519.715 4.024 50 0 KIAAMO COc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)cc1OC ZINC000023362045 553774810 /nfs/dbraw/zinc/77/48/10/553774810.db2.gz RFQPYXZGIBDXAT-GPOLZQFCSA-N 1 1 530.669 4.014 50 0 KIAAMO COc1ccc(/C=C/C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)cc1OC ZINC000023362047 553774835 /nfs/dbraw/zinc/77/48/35/553774835.db2.gz RFQPYXZGIBDXAT-JEAXJQIYSA-N 1 1 530.669 4.014 50 0 KIAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023363189 553774756 /nfs/dbraw/zinc/77/47/56/553774756.db2.gz FYACFANXRNRXLF-MUUNZHRXSA-N 1 1 516.661 4.399 50 0 KIAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023363190 553774765 /nfs/dbraw/zinc/77/47/65/553774765.db2.gz FYACFANXRNRXLF-NDEPHWFRSA-N 1 1 516.661 4.399 50 0 KIAAMO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(C[C@@H](O)CCOc2cccc3ccccc32)CC1 ZINC000023633948 553787302 /nfs/dbraw/zinc/78/73/02/553787302.db2.gz TXXLUYBHTXLIEY-RRPNLBNLSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@H](CCOc1cccc2ccccc21)CN1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000023633950 553787321 /nfs/dbraw/zinc/78/73/21/553787321.db2.gz TXXLUYBHTXLIEY-KAYWLYCHSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@@H](CCOc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633952 553787337 /nfs/dbraw/zinc/78/73/37/553787337.db2.gz TXXLUYBHTXLIEY-SVBPBHIXSA-N 1 1 500.639 4.180 50 0 KIAAMO O[C@H](CCOc1cccc2ccccc21)CN1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633954 553787237 /nfs/dbraw/zinc/78/72/37/553787237.db2.gz TXXLUYBHTXLIEY-SXOMAYOGSA-N 1 1 500.639 4.180 50 0 KIAAMO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024081525 553789029 /nfs/dbraw/zinc/78/90/29/553789029.db2.gz VCDIMKJVPAAPAA-MHZLTWQESA-N 1 1 503.668 4.164 50 0 KIAAMO O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024081527 553789174 /nfs/dbraw/zinc/78/91/74/553789174.db2.gz VCDIMKJVPAAPAA-HHHXNRCGSA-N 1 1 503.668 4.164 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c3c1cccc3C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000025329851 553806395 /nfs/dbraw/zinc/80/63/95/553806395.db2.gz HECARKBKPOUTAX-UHFFFAOYSA-N 1 1 511.500 4.111 50 0 KIAAMO COc1cc(C(=O)C[C@H]2CCC[C@@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)[N@H+]2C)cc(OC)c1OC ZINC000025693332 553812827 /nfs/dbraw/zinc/81/28/27/553812827.db2.gz PQRANDWRVLELFR-BGYRXZFFSA-N 1 1 515.603 4.437 50 0 KIAAMO COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000026580328 553819535 /nfs/dbraw/zinc/81/95/35/553819535.db2.gz HZZZZODVDSHQRG-UHFFFAOYSA-N 1 1 612.627 4.391 50 0 in-vivo KIAAMO CCC[C@H](NC(=O)N1C(=O)C(CC)(CC)[C@H]1Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000026727333 553820590 /nfs/dbraw/zinc/82/05/90/553820590.db2.gz ZSDCIRYNTCVTMF-PWUYWRBVSA-N 1 1 564.683 4.407 50 0 KIAAMO CCOC(=O)C1C(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000029747717 553848642 /nfs/dbraw/zinc/84/86/42/553848642.db2.gz BHCVMJXTVHYMAC-GDLZYMKVSA-N 1 1 540.664 4.274 50 0 KIAAMO CCOC(=O)C1C(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000029747718 553848582 /nfs/dbraw/zinc/84/85/82/553848582.db2.gz BHCVMJXTVHYMAC-LJAQVGFWSA-N 1 1 540.664 4.274 50 0 KIAAMO Cc1cccc(C[NH+]2CCC(CNC(=O)CCC(=O)Nc3ccc4nc(N5CCN(C)CC5)cc(C)c4c3)CC2)c1 ZINC000029748931 553850403 /nfs/dbraw/zinc/85/04/03/553850403.db2.gz QCJOOLRZXHEHKH-UHFFFAOYSA-N 1 1 556.755 4.351 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000029752746 553854729 /nfs/dbraw/zinc/85/47/29/553854729.db2.gz UOKOMAKZLJMJPD-IOWSJCHKSA-N 1 1 558.698 4.459 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000029752748 553854877 /nfs/dbraw/zinc/85/48/77/553854877.db2.gz UOKOMAKZLJMJPD-FIRIVFDPSA-N 1 1 558.698 4.459 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000029752749 553854790 /nfs/dbraw/zinc/85/47/90/553854790.db2.gz UOKOMAKZLJMJPD-CONSDPRKSA-N 1 1 558.698 4.459 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000029752751 553854770 /nfs/dbraw/zinc/85/47/70/553854770.db2.gz UOKOMAKZLJMJPD-JSOSNVBQSA-N 1 1 558.698 4.459 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752957 553855145 /nfs/dbraw/zinc/85/51/45/553855145.db2.gz GPLMFEIDFIYSRD-FIRIVFDPSA-N 1 1 572.681 4.008 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752959 553855157 /nfs/dbraw/zinc/85/51/57/553855157.db2.gz GPLMFEIDFIYSRD-IOWSJCHKSA-N 1 1 572.681 4.008 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752961 553855086 /nfs/dbraw/zinc/85/50/86/553855086.db2.gz GPLMFEIDFIYSRD-JSOSNVBQSA-N 1 1 572.681 4.008 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752962 553855222 /nfs/dbraw/zinc/85/52/22/553855222.db2.gz GPLMFEIDFIYSRD-CONSDPRKSA-N 1 1 572.681 4.008 50 0 KIAAMO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000032967427 553882840 /nfs/dbraw/zinc/88/28/40/553882840.db2.gz CFHJZVKPFLXWFK-UHFFFAOYSA-N 1 1 524.058 4.069 50 0 KIAAMO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975592 553884278 /nfs/dbraw/zinc/88/42/78/553884278.db2.gz UJRODGPUSYAOTC-SANMLTNESA-N 1 1 517.695 4.481 50 0 KIAAMO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975594 553884174 /nfs/dbraw/zinc/88/41/74/553884174.db2.gz UJRODGPUSYAOTC-AREMUKBSSA-N 1 1 517.695 4.481 50 0 KIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=O)c2C1 ZINC000033028772 553891477 /nfs/dbraw/zinc/89/14/77/553891477.db2.gz XZPSTHFJMMNJDW-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=O)c2C1 ZINC000033028772 553891475 /nfs/dbraw/zinc/89/14/75/553891475.db2.gz XZPSTHFJMMNJDW-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c3C2)c1 ZINC000033028777 553891391 /nfs/dbraw/zinc/89/13/91/553891391.db2.gz YCOFEZUTNLUBEK-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c3C2)c1 ZINC000033028777 553891388 /nfs/dbraw/zinc/89/13/88/553891388.db2.gz YCOFEZUTNLUBEK-UHFFFAOYSA-N 1 1 504.534 4.499 50 0 KIAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000033058941 553904385 /nfs/dbraw/zinc/90/43/85/553904385.db2.gz SSFHUURTEJLDPS-OUKQBFOZSA-N 1 1 532.682 4.074 50 0 KIAAMO Cn1nc(C(=O)N2CCCCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)NCc3cccc(Cl)c3)cc1)C2 ZINC000033280348 553920062 /nfs/dbraw/zinc/92/00/62/553920062.db2.gz NHSSYUBQJOORAL-UHFFFAOYSA-N 1 1 506.050 4.188 50 0 KIAAMO Cn1nc(C(=O)N2CCCCC2)c2c1CC[N@H+](Cc1ccc(C(=O)NCc3cccc(Cl)c3)cc1)C2 ZINC000033280348 553920059 /nfs/dbraw/zinc/92/00/59/553920059.db2.gz NHSSYUBQJOORAL-UHFFFAOYSA-N 1 1 506.050 4.188 50 0 KIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c(=O)c2C1 ZINC000033331776 553921098 /nfs/dbraw/zinc/92/10/98/553921098.db2.gz SYCPYRDAROOARE-UHFFFAOYSA-N 1 1 515.433 4.242 50 0 KIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c(=O)c2C1 ZINC000033331776 553921092 /nfs/dbraw/zinc/92/10/92/553921092.db2.gz SYCPYRDAROOARE-UHFFFAOYSA-N 1 1 515.433 4.242 50 0 KIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)[nH]c(=O)c2C1 ZINC000033331784 553921116 /nfs/dbraw/zinc/92/11/16/553921116.db2.gz FHDPDKUENWZCIJ-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)[nH]c(=O)c2C1 ZINC000033331784 553921111 /nfs/dbraw/zinc/92/11/11/553921111.db2.gz FHDPDKUENWZCIJ-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000033331803 553921242 /nfs/dbraw/zinc/92/12/42/553921242.db2.gz IWZAIIPTTUCSDK-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000033331803 553921240 /nfs/dbraw/zinc/92/12/40/553921240.db2.gz IWZAIIPTTUCSDK-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[nH]c(=O)c3C2)cc1 ZINC000033331804 553920958 /nfs/dbraw/zinc/92/09/58/553920958.db2.gz HLLZLDUAPGVKOG-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[nH]c(=O)c3C2)cc1 ZINC000033331804 553920954 /nfs/dbraw/zinc/92/09/54/553920954.db2.gz HLLZLDUAPGVKOG-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000033331811 553921178 /nfs/dbraw/zinc/92/11/78/553921178.db2.gz MXJGQOYUKCBZPV-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)[nH]c(=O)c3C2)c1 ZINC000033331811 553921174 /nfs/dbraw/zinc/92/11/74/553921174.db2.gz MXJGQOYUKCBZPV-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1cccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[nH]c(=O)c3C2)c1 ZINC000033331815 553921230 /nfs/dbraw/zinc/92/12/30/553921230.db2.gz TWCWNGGHXFIPFM-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO COc1cccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cc(Cl)ccc4OC)[nH]c(=O)c3C2)c1 ZINC000033331815 553921227 /nfs/dbraw/zinc/92/12/27/553921227.db2.gz TWCWNGGHXFIPFM-UHFFFAOYSA-N 1 1 501.008 4.142 50 0 KIAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)cn2C ZINC000033356390 553940998 /nfs/dbraw/zinc/94/09/98/553940998.db2.gz LEUPYVXOCGPRAK-UHFFFAOYSA-N 1 1 614.212 4.087 50 0 KIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000033356397 553941078 /nfs/dbraw/zinc/94/10/78/553941078.db2.gz QXDLGXHRVYYFPF-UHFFFAOYSA-N 1 1 564.477 4.097 50 0 KIAAMO COc1ccc(-c2nc(CSCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(C)o2)cc1OC ZINC000033356404 553941038 /nfs/dbraw/zinc/94/10/38/553941038.db2.gz GPIMPYZAPOSDLV-UHFFFAOYSA-N 1 1 542.677 4.368 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000033357102 553946491 /nfs/dbraw/zinc/94/64/91/553946491.db2.gz OOXBCKCOGHQLKZ-QHCPKHFHSA-N 1 1 623.017 4.470 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000033357104 553946445 /nfs/dbraw/zinc/94/64/45/553946445.db2.gz OOXBCKCOGHQLKZ-HSZRJFAPSA-N 1 1 623.017 4.470 50 0 KIAAMO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)c1 ZINC000033357395 553947991 /nfs/dbraw/zinc/94/79/91/553947991.db2.gz LPJZGFWJFMBAMB-HSZRJFAPSA-N 1 1 590.613 4.139 50 0 KIAAMO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)c1 ZINC000033357397 553948064 /nfs/dbraw/zinc/94/80/64/553948064.db2.gz LPJZGFWJFMBAMB-QHCPKHFHSA-N 1 1 590.613 4.139 50 0 KIAAMO COc1cccc(CSc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C(=O)NCCC[NH+]2CCOCC2)c1OC ZINC000033357563 553948942 /nfs/dbraw/zinc/94/89/42/553948942.db2.gz MDOQPZROTPTSQM-UHFFFAOYSA-N 1 1 611.786 4.200 50 0 KIAAMO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000033357829 553951173 /nfs/dbraw/zinc/95/11/73/553951173.db2.gz KHPDBPXQGMJRIA-UHFFFAOYSA-N 1 1 529.504 4.492 50 0 KIAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCCC1 ZINC000033357842 553951349 /nfs/dbraw/zinc/95/13/49/553951349.db2.gz KUNHILRFUBOORA-UHFFFAOYSA-N 1 1 540.133 4.413 50 0 KIAAMO O=C(CC[NH+]1CCOCC1)Nc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033358145 553953130 /nfs/dbraw/zinc/95/31/30/553953130.db2.gz WWWDZSKHUYSGDS-GGAORHGYSA-N 1 1 625.648 4.284 50 0 KIAAMO COc1cc(OC)c(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1Cl ZINC000033358156 553953403 /nfs/dbraw/zinc/95/34/03/553953403.db2.gz YEUWYOGXBSRLSD-GGAORHGYSA-N 1 1 636.149 4.056 50 0 KIAAMO CCOC(=O)c1c2nc3ccccc3nc2n(CCC[NH+]2CCOCC2)c1NC(=O)c1cc2ccccc2o1 ZINC000033402586 553959000 /nfs/dbraw/zinc/95/90/00/553959000.db2.gz JNKYTNHFZNYKPV-UHFFFAOYSA-N 1 1 527.581 4.482 50 0 KIAAMO O=C(CCc1ccccc1)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000033693677 553968522 /nfs/dbraw/zinc/96/85/22/553968522.db2.gz CBJYDFLQYFTWLJ-UHFFFAOYSA-N 1 1 521.633 4.131 50 0 KIAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667435 553981680 /nfs/dbraw/zinc/98/16/80/553981680.db2.gz ARVHYJGKACMVIG-VMPREFPWSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667435 553981676 /nfs/dbraw/zinc/98/16/76/553981676.db2.gz ARVHYJGKACMVIG-VMPREFPWSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667436 553981732 /nfs/dbraw/zinc/98/17/32/553981732.db2.gz ARVHYJGKACMVIG-WDYNHAJCSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667436 553981730 /nfs/dbraw/zinc/98/17/30/553981730.db2.gz ARVHYJGKACMVIG-WDYNHAJCSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667437 553981697 /nfs/dbraw/zinc/98/16/97/553981697.db2.gz ARVHYJGKACMVIG-URLMMPGGSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667437 553981693 /nfs/dbraw/zinc/98/16/93/553981693.db2.gz ARVHYJGKACMVIG-URLMMPGGSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667438 553981744 /nfs/dbraw/zinc/98/17/44/553981744.db2.gz ARVHYJGKACMVIG-FQLXRVMXSA-N 1 1 503.618 4.494 50 0 KIAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NN1CCOCC1 ZINC000034667438 553981739 /nfs/dbraw/zinc/98/17/39/553981739.db2.gz ARVHYJGKACMVIG-FQLXRVMXSA-N 1 1 503.618 4.494 50 0 KIAAMO O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)NCCC[NH+]1CCOCC1 ZINC000034675481 553983019 /nfs/dbraw/zinc/98/30/19/553983019.db2.gz GZZIBUXGOVFTDQ-UHFFFAOYSA-N 1 1 507.581 4.193 50 0 KIAAMO O=C(/C=C/c1ccccc1)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000034675489 553982991 /nfs/dbraw/zinc/98/29/91/553982991.db2.gz YTRMZXNOKDKTRR-NTCAYCPXSA-N 1 1 515.629 4.453 50 0 KIAAMO Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000034675490 553982877 /nfs/dbraw/zinc/98/28/77/553982877.db2.gz IZXXTGUBHUFVES-UHFFFAOYSA-N 1 1 503.618 4.362 50 0 KIAAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000034676605 553983014 /nfs/dbraw/zinc/98/30/14/553983014.db2.gz NSOVMEKUDWRFOR-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)cc1 ZINC000034676616 553982952 /nfs/dbraw/zinc/98/29/52/553982952.db2.gz LZFDUSCVKMYPTF-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000034676647 553983044 /nfs/dbraw/zinc/98/30/44/553983044.db2.gz NFCPRBIOKLBUGC-UHFFFAOYSA-N 1 1 515.511 4.377 50 0 KIAAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cc1 ZINC000034676819 553983182 /nfs/dbraw/zinc/98/31/82/553983182.db2.gz JSIYTYVKJSDTCC-UHFFFAOYSA-N 1 1 509.010 4.273 50 0 KIAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc(OC)c1 ZINC000034681701 553985022 /nfs/dbraw/zinc/98/50/22/553985022.db2.gz HPVRMRQVGQTXHV-UHFFFAOYSA-N 1 1 511.022 4.482 50 0 KIAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c(OC)c1 ZINC000034681709 553985090 /nfs/dbraw/zinc/98/50/90/553985090.db2.gz JCOTXYGWAIDWSR-UHFFFAOYSA-N 1 1 511.022 4.482 50 0 KIAAMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(OC)c(OC)c4OC)CC3)nc2)c1 ZINC000034681807 553984978 /nfs/dbraw/zinc/98/49/78/553984978.db2.gz HQZJLYDJRDIDJJ-UHFFFAOYSA-N 1 1 506.603 4.081 50 0 KIAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)c(OC)c1OC ZINC000034681937 553985658 /nfs/dbraw/zinc/98/56/58/553985658.db2.gz HOOBLUNBEXJDRF-UHFFFAOYSA-N 1 1 512.557 4.350 50 0 KIAAMO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(OC)c(OC)c4OC)CC3)nc2)cc1 ZINC000034682121 553985520 /nfs/dbraw/zinc/98/55/20/553985520.db2.gz MWCZJNOINJLIKS-UHFFFAOYSA-N 1 1 521.618 4.472 50 0 KIAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)cc(OC)c1 ZINC000034682131 553985604 /nfs/dbraw/zinc/98/56/04/553985604.db2.gz JYFIXIZJSOVYFL-UHFFFAOYSA-N 1 1 521.618 4.472 50 0 KIAAMO COc1cc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4cccc(OC)c4OC)CC3)nc2)cc(OC)c1 ZINC000034682133 553985530 /nfs/dbraw/zinc/98/55/30/553985530.db2.gz OSNGJFSCWUUMDQ-UHFFFAOYSA-N 1 1 521.618 4.472 50 0 KIAAMO COc1ccc(OC)c(C[N@H+]2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)c1 ZINC000034682134 553985492 /nfs/dbraw/zinc/98/54/92/553985492.db2.gz GOWTYUGYYUEWBF-UHFFFAOYSA-N 1 1 521.618 4.472 50 0 KIAAMO O=C(Nc1ccc(N2CCC[N@H+](C[C@H](O)COCc3ccco3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034682280 553985479 /nfs/dbraw/zinc/98/54/79/553985479.db2.gz BEPDAEBACFQSBB-QFIPXVFZSA-N 1 1 518.536 4.036 50 0 KIAAMO COc1ccc(N(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683738 553986012 /nfs/dbraw/zinc/98/60/12/553986012.db2.gz YOVCYYVKTLRSNZ-UHFFFAOYSA-N 1 1 524.639 4.335 50 0 KIAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034683850 553986427 /nfs/dbraw/zinc/98/64/27/553986427.db2.gz HFFBQGLIRSSKFT-UHFFFAOYSA-N 1 1 528.602 4.432 50 0 KIAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O ZINC000034683981 553986639 /nfs/dbraw/zinc/98/66/39/553986639.db2.gz HOCKFIQYJPMLDZ-UHFFFAOYSA-N 1 1 510.612 4.298 50 0 KIAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O ZINC000034683986 553986582 /nfs/dbraw/zinc/98/65/82/553986582.db2.gz BPBMYPDYDBFORQ-UHFFFAOYSA-N 1 1 514.575 4.129 50 0 KIAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C)c3)CC2)ccc1O ZINC000034683993 553986712 /nfs/dbraw/zinc/98/67/12/553986712.db2.gz CUYZMBGVVVWCCK-UHFFFAOYSA-N 1 1 510.612 4.298 50 0 KIAAMO Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000034685512 553986575 /nfs/dbraw/zinc/98/65/75/553986575.db2.gz UQGKDJNCBBOYAE-UHFFFAOYSA-N 1 1 503.618 4.362 50 0 KIAAMO Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000034685514 553986738 /nfs/dbraw/zinc/98/67/38/553986738.db2.gz BBPJCRJOHNBBIS-UHFFFAOYSA-N 1 1 503.618 4.362 50 0 KIAAMO COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NCCC[NH+]3CCOCC3)c2)c1 ZINC000034685517 553986691 /nfs/dbraw/zinc/98/66/91/553986691.db2.gz GYZMUCMDUUEWCZ-UHFFFAOYSA-N 1 1 515.654 4.232 50 0 KIAAMO O=C(c1ccc2ccccc2c1)N1CCC[N@H+](C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692043 553990076 /nfs/dbraw/zinc/99/00/76/553990076.db2.gz WESLBEGSEBDQIN-AREMUKBSSA-N 1 1 506.647 4.225 50 0 KIAAMO O=C(c1ccc2ccccc2c1)N1CCC[N@@H+](C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692043 553990073 /nfs/dbraw/zinc/99/00/73/553990073.db2.gz WESLBEGSEBDQIN-AREMUKBSSA-N 1 1 506.647 4.225 50 0 KIAAMO O=C(c1ccc2ccccc2c1)N1CCC[N@H+](C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692044 553989942 /nfs/dbraw/zinc/98/99/42/553989942.db2.gz WESLBEGSEBDQIN-SANMLTNESA-N 1 1 506.647 4.225 50 0 KIAAMO O=C(c1ccc2ccccc2c1)N1CCC[N@@H+](C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)CC1 ZINC000034692044 553989938 /nfs/dbraw/zinc/98/99/38/553989938.db2.gz WESLBEGSEBDQIN-SANMLTNESA-N 1 1 506.647 4.225 50 0 KIAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692109 553990119 /nfs/dbraw/zinc/99/01/19/553990119.db2.gz RYEPUSIOLRMPRO-JOCHJYFZSA-N 1 1 524.971 4.440 50 0 KIAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692109 553990117 /nfs/dbraw/zinc/99/01/17/553990117.db2.gz RYEPUSIOLRMPRO-JOCHJYFZSA-N 1 1 524.971 4.440 50 0 KIAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692110 553990000 /nfs/dbraw/zinc/99/00/00/553990000.db2.gz RYEPUSIOLRMPRO-QFIPXVFZSA-N 1 1 524.971 4.440 50 0 KIAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692110 553989996 /nfs/dbraw/zinc/98/99/96/553989996.db2.gz RYEPUSIOLRMPRO-QFIPXVFZSA-N 1 1 524.971 4.440 50 0 KIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708056 553993978 /nfs/dbraw/zinc/99/39/78/553993978.db2.gz SGQXGGLVNXMXJF-NDEPHWFRSA-N 1 1 524.614 4.256 50 0 KIAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708057 553993934 /nfs/dbraw/zinc/99/39/34/553993934.db2.gz SGQXGGLVNXMXJF-MUUNZHRXSA-N 1 1 524.614 4.256 50 0 KIAAMO O=C(NCc1ccccc1)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1ccccc1F ZINC000034708264 553994493 /nfs/dbraw/zinc/99/44/93/553994493.db2.gz JOXOQNAVSAONLI-NEKDWFFYSA-N 1 1 506.574 4.299 50 0 KIAAMO O=C(NCc1ccccc1)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1ccccc1F ZINC000034708265 553994606 /nfs/dbraw/zinc/99/46/06/553994606.db2.gz JOXOQNAVSAONLI-FIPFOOKPSA-N 1 1 506.574 4.299 50 0 KIAAMO O=C(Nc1nccnc1C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000034716963 553995754 /nfs/dbraw/zinc/99/57/54/553995754.db2.gz CPPUIAMOKFREEO-UHFFFAOYSA-N 1 1 501.484 4.281 50 0 KIAAMO COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034716969 553995556 /nfs/dbraw/zinc/99/55/56/553995556.db2.gz NMFFYKAKNRBDJV-UHFFFAOYSA-N 1 1 513.520 4.151 50 0 KIAAMO COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034716976 553995590 /nfs/dbraw/zinc/99/55/90/553995590.db2.gz CJXCYZDGYPBZIM-UHFFFAOYSA-N 1 1 513.520 4.151 50 0 KIAAMO O=C(Nc1nccnc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(F)c1 ZINC000034717006 553995586 /nfs/dbraw/zinc/99/55/86/553995586.db2.gz IRRAPMXHRJVCGN-UHFFFAOYSA-N 1 1 501.484 4.281 50 0 KIAAMO COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)cc(OC)c1 ZINC000034725954 553997080 /nfs/dbraw/zinc/99/70/80/553997080.db2.gz JEKVLSWNAUZBNI-UHFFFAOYSA-N 1 1 506.691 4.487 50 0 KIAAMO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)c1OC ZINC000034725973 553997129 /nfs/dbraw/zinc/99/71/29/553997129.db2.gz JHFIMUKTPACXOW-UHFFFAOYSA-N 1 1 506.691 4.487 50 0 KIAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)c1 ZINC000034757251 554000181 /nfs/dbraw/zinc/00/01/81/554000181.db2.gz YXPOCOOYSDJWOL-UHFFFAOYSA-N 1 1 509.010 4.273 50 0 KIAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034757363 554000153 /nfs/dbraw/zinc/00/01/53/554000153.db2.gz IRDSQCZUUZKIPE-UHFFFAOYSA-N 1 1 509.010 4.273 50 0 KIAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034757581 554000230 /nfs/dbraw/zinc/00/02/30/554000230.db2.gz NZGUPFFDPXFGBG-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)c1 ZINC000034757599 554000201 /nfs/dbraw/zinc/00/02/01/554000201.db2.gz KGXBVWRYULCLBS-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034757785 554000481 /nfs/dbraw/zinc/00/04/81/554000481.db2.gz CPIYWIPBZIJLGY-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000034757804 554000410 /nfs/dbraw/zinc/00/04/10/554000410.db2.gz UWZFXIIERQSESZ-UHFFFAOYSA-N 1 1 527.547 4.247 50 0 KIAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000034758002 554000494 /nfs/dbraw/zinc/00/04/94/554000494.db2.gz ZYJQEWVZWSGSSP-UHFFFAOYSA-N 1 1 515.511 4.377 50 0 KIAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000034758096 554000468 /nfs/dbraw/zinc/00/04/68/554000468.db2.gz CQTUYYFFNWZQTI-UHFFFAOYSA-N 1 1 515.511 4.377 50 0 KIAAMO CC[C@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)cc3F)c2C1)c1ccccc1 ZINC000034758738 554000769 /nfs/dbraw/zinc/00/07/69/554000769.db2.gz WRLDHDIUFXIZMR-NRFANRHFSA-N 1 1 507.585 4.377 50 0 KIAAMO CC[C@@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)cc3F)c2C1)c1ccccc1 ZINC000034758741 554000791 /nfs/dbraw/zinc/00/07/91/554000791.db2.gz WRLDHDIUFXIZMR-OAQYLSRUSA-N 1 1 507.585 4.377 50 0 KIAAMO CC[C@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccccc3OC)c2C1)c1ccccc1 ZINC000034758951 554001005 /nfs/dbraw/zinc/00/10/05/554001005.db2.gz ZUVNXLXXUUUYMG-QFIPXVFZSA-N 1 1 501.631 4.108 50 0 KIAAMO CC[C@@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccccc3OC)c2C1)c1ccccc1 ZINC000034758954 554000949 /nfs/dbraw/zinc/00/09/49/554000949.db2.gz ZUVNXLXXUUUYMG-JOCHJYFZSA-N 1 1 501.631 4.108 50 0 KIAAMO CC[C@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(F)c3)c2C1)c1ccccc1 ZINC000034760262 554001657 /nfs/dbraw/zinc/00/16/57/554001657.db2.gz IOSKCWPSHCEODH-NRFANRHFSA-N 1 1 507.585 4.377 50 0 KIAAMO CC[C@@H](C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccc(F)c(F)c3)c2C1)c1ccccc1 ZINC000034760265 554001586 /nfs/dbraw/zinc/00/15/86/554001586.db2.gz IOSKCWPSHCEODH-OAQYLSRUSA-N 1 1 507.585 4.377 50 0 KIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000034787084 554004446 /nfs/dbraw/zinc/00/44/46/554004446.db2.gz KIVIJZOWSFQBFJ-RUZDIDTESA-N 1 1 524.484 4.443 50 0 KIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000034787084 554004443 /nfs/dbraw/zinc/00/44/43/554004443.db2.gz KIVIJZOWSFQBFJ-RUZDIDTESA-N 1 1 524.484 4.443 50 0 KIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000034787087 554004465 /nfs/dbraw/zinc/00/44/65/554004465.db2.gz KIVIJZOWSFQBFJ-VWLOTQADSA-N 1 1 524.484 4.443 50 0 KIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000034787087 554004462 /nfs/dbraw/zinc/00/44/62/554004462.db2.gz KIVIJZOWSFQBFJ-VWLOTQADSA-N 1 1 524.484 4.443 50 0 KIAAMO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787279 554004577 /nfs/dbraw/zinc/00/45/77/554004577.db2.gz NZDRAIPRQPYARO-LJAQVGFWSA-N 1 1 503.668 4.008 50 0 KIAAMO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787279 554004572 /nfs/dbraw/zinc/00/45/72/554004572.db2.gz NZDRAIPRQPYARO-LJAQVGFWSA-N 1 1 503.668 4.008 50 0 KIAAMO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787284 554004380 /nfs/dbraw/zinc/00/43/80/554004380.db2.gz NZDRAIPRQPYARO-GDLZYMKVSA-N 1 1 503.668 4.008 50 0 KIAAMO COc1ccc(CC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787284 554004376 /nfs/dbraw/zinc/00/43/76/554004376.db2.gz NZDRAIPRQPYARO-GDLZYMKVSA-N 1 1 503.668 4.008 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034787772 554005376 /nfs/dbraw/zinc/00/53/76/554005376.db2.gz RBXHIKJUVFEDRE-MUUNZHRXSA-N 1 1 519.667 4.006 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034787772 554005373 /nfs/dbraw/zinc/00/53/73/554005373.db2.gz RBXHIKJUVFEDRE-MUUNZHRXSA-N 1 1 519.667 4.006 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034787776 554005225 /nfs/dbraw/zinc/00/52/25/554005225.db2.gz RBXHIKJUVFEDRE-NDEPHWFRSA-N 1 1 519.667 4.006 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034787776 554005223 /nfs/dbraw/zinc/00/52/23/554005223.db2.gz RBXHIKJUVFEDRE-NDEPHWFRSA-N 1 1 519.667 4.006 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034788010 554005331 /nfs/dbraw/zinc/00/53/31/554005331.db2.gz JWJTVEXLFUFQBV-GDLZYMKVSA-N 1 1 503.668 4.144 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034788010 554005327 /nfs/dbraw/zinc/00/53/27/554005327.db2.gz JWJTVEXLFUFQBV-GDLZYMKVSA-N 1 1 503.668 4.144 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034788015 554005291 /nfs/dbraw/zinc/00/52/91/554005291.db2.gz JWJTVEXLFUFQBV-LJAQVGFWSA-N 1 1 503.668 4.144 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034788015 554005287 /nfs/dbraw/zinc/00/52/87/554005287.db2.gz JWJTVEXLFUFQBV-LJAQVGFWSA-N 1 1 503.668 4.144 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034788040 554005300 /nfs/dbraw/zinc/00/53/00/554005300.db2.gz OZVWKQLHFKQWKI-GDLZYMKVSA-N 1 1 533.694 4.396 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034788040 554005297 /nfs/dbraw/zinc/00/52/97/554005297.db2.gz OZVWKQLHFKQWKI-GDLZYMKVSA-N 1 1 533.694 4.396 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034788044 554005339 /nfs/dbraw/zinc/00/53/39/554005339.db2.gz OZVWKQLHFKQWKI-LJAQVGFWSA-N 1 1 533.694 4.396 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034788044 554005336 /nfs/dbraw/zinc/00/53/36/554005336.db2.gz OZVWKQLHFKQWKI-LJAQVGFWSA-N 1 1 533.694 4.396 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788069 554005457 /nfs/dbraw/zinc/00/54/57/554005457.db2.gz SITNBUYZITZWIU-MUUNZHRXSA-N 1 1 517.651 4.107 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788069 554005454 /nfs/dbraw/zinc/00/54/54/554005454.db2.gz SITNBUYZITZWIU-MUUNZHRXSA-N 1 1 517.651 4.107 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788074 554005199 /nfs/dbraw/zinc/00/51/99/554005199.db2.gz SITNBUYZITZWIU-NDEPHWFRSA-N 1 1 517.651 4.107 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034788074 554005196 /nfs/dbraw/zinc/00/51/96/554005196.db2.gz SITNBUYZITZWIU-NDEPHWFRSA-N 1 1 517.651 4.107 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034788084 554005466 /nfs/dbraw/zinc/00/54/66/554005466.db2.gz MZTOGMZOBNZUGU-GDLZYMKVSA-N 1 1 505.659 4.447 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034788084 554005462 /nfs/dbraw/zinc/00/54/62/554005462.db2.gz MZTOGMZOBNZUGU-GDLZYMKVSA-N 1 1 505.659 4.447 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034788087 554005357 /nfs/dbraw/zinc/00/53/57/554005357.db2.gz MZTOGMZOBNZUGU-LJAQVGFWSA-N 1 1 505.659 4.447 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034788087 554005355 /nfs/dbraw/zinc/00/53/55/554005355.db2.gz MZTOGMZOBNZUGU-LJAQVGFWSA-N 1 1 505.659 4.447 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034788105 554005935 /nfs/dbraw/zinc/00/59/35/554005935.db2.gz DTLTYBQWIDTERA-MUUNZHRXSA-N 1 1 503.668 4.387 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000034788105 554005932 /nfs/dbraw/zinc/00/59/32/554005932.db2.gz DTLTYBQWIDTERA-MUUNZHRXSA-N 1 1 503.668 4.387 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034788109 554005821 /nfs/dbraw/zinc/00/58/21/554005821.db2.gz DTLTYBQWIDTERA-NDEPHWFRSA-N 1 1 503.668 4.387 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000034788109 554005817 /nfs/dbraw/zinc/00/58/17/554005817.db2.gz DTLTYBQWIDTERA-NDEPHWFRSA-N 1 1 503.668 4.387 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829740 554012686 /nfs/dbraw/zinc/01/26/86/554012686.db2.gz UFMZODLPJYATPG-KPURRNSFSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829740 554012683 /nfs/dbraw/zinc/01/26/83/554012683.db2.gz UFMZODLPJYATPG-KPURRNSFSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829741 554012752 /nfs/dbraw/zinc/01/27/52/554012752.db2.gz UFMZODLPJYATPG-MNNSJKJDSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829741 554012749 /nfs/dbraw/zinc/01/27/49/554012749.db2.gz UFMZODLPJYATPG-MNNSJKJDSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000034829760 554012620 /nfs/dbraw/zinc/01/26/20/554012620.db2.gz CRJGUFAUKYLYAE-PIIWDFAUSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000034829760 554012617 /nfs/dbraw/zinc/01/26/17/554012617.db2.gz CRJGUFAUKYLYAE-PIIWDFAUSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000034829761 554012586 /nfs/dbraw/zinc/01/25/86/554012586.db2.gz CRJGUFAUKYLYAE-NGOKVRLYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@H](C)C2)cc1 ZINC000034829761 554012583 /nfs/dbraw/zinc/01/25/83/554012583.db2.gz CRJGUFAUKYLYAE-NGOKVRLYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829776 554012661 /nfs/dbraw/zinc/01/26/61/554012661.db2.gz FUJWESSXKQZPJU-WVXBCFDCSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829776 554012658 /nfs/dbraw/zinc/01/26/58/554012658.db2.gz FUJWESSXKQZPJU-WVXBCFDCSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829777 554012704 /nfs/dbraw/zinc/01/27/04/554012704.db2.gz FUJWESSXKQZPJU-DJUQAAIZSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829777 554012701 /nfs/dbraw/zinc/01/27/01/554012701.db2.gz FUJWESSXKQZPJU-DJUQAAIZSA-N 1 1 517.695 4.280 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000034829782 554012677 /nfs/dbraw/zinc/01/26/77/554012677.db2.gz LFSIPINOYSTNOO-LYZGTLIUSA-N 1 1 503.668 4.386 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@H]1C ZINC000034829782 554012675 /nfs/dbraw/zinc/01/26/75/554012675.db2.gz LFSIPINOYSTNOO-LYZGTLIUSA-N 1 1 503.668 4.386 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@H]1C ZINC000034829783 554012594 /nfs/dbraw/zinc/01/25/94/554012594.db2.gz LFSIPINOYSTNOO-PIKZIKFNSA-N 1 1 503.668 4.386 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@H]1C ZINC000034829783 554012591 /nfs/dbraw/zinc/01/25/91/554012591.db2.gz LFSIPINOYSTNOO-PIKZIKFNSA-N 1 1 503.668 4.386 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034829822 554013231 /nfs/dbraw/zinc/01/32/31/554013231.db2.gz IKIYHGASBVNJMM-KPURRNSFSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034829822 554013224 /nfs/dbraw/zinc/01/32/24/554013224.db2.gz IKIYHGASBVNJMM-KPURRNSFSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034829823 554013102 /nfs/dbraw/zinc/01/31/02/554013102.db2.gz IKIYHGASBVNJMM-MNNSJKJDSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034829823 554013097 /nfs/dbraw/zinc/01/30/97/554013097.db2.gz IKIYHGASBVNJMM-MNNSJKJDSA-N 1 1 503.668 4.142 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)c1 ZINC000034829836 554012975 /nfs/dbraw/zinc/01/29/75/554012975.db2.gz QKUAYPIHXTZSJR-ONOMSOESSA-N 1 1 533.694 4.394 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)c1 ZINC000034829836 554012971 /nfs/dbraw/zinc/01/29/71/554012971.db2.gz QKUAYPIHXTZSJR-ONOMSOESSA-N 1 1 533.694 4.394 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)c1 ZINC000034829837 554013167 /nfs/dbraw/zinc/01/31/67/554013167.db2.gz QKUAYPIHXTZSJR-PBBNMVCDSA-N 1 1 533.694 4.394 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)c1 ZINC000034829837 554013162 /nfs/dbraw/zinc/01/31/62/554013162.db2.gz QKUAYPIHXTZSJR-PBBNMVCDSA-N 1 1 533.694 4.394 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000034829842 554013287 /nfs/dbraw/zinc/01/32/87/554013287.db2.gz LFOLOQPTGSDQDL-PIIWDFAUSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000034829842 554013283 /nfs/dbraw/zinc/01/32/83/554013283.db2.gz LFOLOQPTGSDQDL-PIIWDFAUSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000034829843 554012941 /nfs/dbraw/zinc/01/29/41/554012941.db2.gz LFOLOQPTGSDQDL-NGOKVRLYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000034829843 554012937 /nfs/dbraw/zinc/01/29/37/554012937.db2.gz LFOLOQPTGSDQDL-NGOKVRLYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000034829844 554012903 /nfs/dbraw/zinc/01/29/03/554012903.db2.gz SNVBROXDJJNKSC-ONOMSOESSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000034829844 554012901 /nfs/dbraw/zinc/01/29/01/554012901.db2.gz SNVBROXDJJNKSC-ONOMSOESSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000034829845 554013009 /nfs/dbraw/zinc/01/30/09/554013009.db2.gz SNVBROXDJJNKSC-PBBNMVCDSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000034829845 554013005 /nfs/dbraw/zinc/01/30/05/554013005.db2.gz SNVBROXDJJNKSC-PBBNMVCDSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@H](C)C1 ZINC000034829852 554013135 /nfs/dbraw/zinc/01/31/35/554013135.db2.gz GAYVMSLAYRWYAV-WVXBCFDCSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@H](C)C1 ZINC000034829852 554013129 /nfs/dbraw/zinc/01/31/29/554013129.db2.gz GAYVMSLAYRWYAV-WVXBCFDCSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@H](C)C1 ZINC000034829853 554013026 /nfs/dbraw/zinc/01/30/26/554013026.db2.gz GAYVMSLAYRWYAV-DJUQAAIZSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@H](C)C1 ZINC000034829853 554013022 /nfs/dbraw/zinc/01/30/22/554013022.db2.gz GAYVMSLAYRWYAV-DJUQAAIZSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829960 554013432 /nfs/dbraw/zinc/01/34/32/554013432.db2.gz LMPZCMDQSFAHCG-SKCUWOTOSA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829960 554013427 /nfs/dbraw/zinc/01/34/27/554013427.db2.gz LMPZCMDQSFAHCG-SKCUWOTOSA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829961 554013616 /nfs/dbraw/zinc/01/36/16/554013616.db2.gz LMPZCMDQSFAHCG-DFHRPNOPSA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829961 554013609 /nfs/dbraw/zinc/01/36/09/554013609.db2.gz LMPZCMDQSFAHCG-DFHRPNOPSA-N 1 1 502.684 4.447 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830020 554013893 /nfs/dbraw/zinc/01/38/93/554013893.db2.gz ZOJHNKUHUHNJOC-NDEPHWFRSA-N 1 1 519.667 4.088 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830021 554014133 /nfs/dbraw/zinc/01/41/33/554014133.db2.gz ZOJHNKUHUHNJOC-MUUNZHRXSA-N 1 1 519.667 4.088 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830058 554014529 /nfs/dbraw/zinc/01/45/29/554014529.db2.gz XFFCNWJRZMITFF-GDLZYMKVSA-N 1 1 503.668 4.226 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830059 554014502 /nfs/dbraw/zinc/01/45/02/554014502.db2.gz XFFCNWJRZMITFF-LJAQVGFWSA-N 1 1 503.668 4.226 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830062 554014557 /nfs/dbraw/zinc/01/45/57/554014557.db2.gz OAUQRQIGIFUQME-LJAQVGFWSA-N 1 1 533.694 4.478 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830063 554014537 /nfs/dbraw/zinc/01/45/37/554014537.db2.gz OAUQRQIGIFUQME-GDLZYMKVSA-N 1 1 533.694 4.478 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830066 554014426 /nfs/dbraw/zinc/01/44/26/554014426.db2.gz RRXCUVPYHNYFQQ-MUUNZHRXSA-N 1 1 517.651 4.189 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830067 554014418 /nfs/dbraw/zinc/01/44/18/554014418.db2.gz RRXCUVPYHNYFQQ-NDEPHWFRSA-N 1 1 517.651 4.189 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830070 554014370 /nfs/dbraw/zinc/01/43/70/554014370.db2.gz GBXGRGGTRFXTNZ-NDEPHWFRSA-N 1 1 503.668 4.469 50 0 KIAAMO COc1cccc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830071 554014519 /nfs/dbraw/zinc/01/45/19/554014519.db2.gz GBXGRGGTRFXTNZ-MUUNZHRXSA-N 1 1 503.668 4.469 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034830116 554014451 /nfs/dbraw/zinc/01/44/51/554014451.db2.gz UPJJZDPKNMGYGX-NGOKVRLYSA-N 1 1 517.651 4.188 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034830117 554014328 /nfs/dbraw/zinc/01/43/28/554014328.db2.gz UPJJZDPKNMGYGX-MMTVBGGISA-N 1 1 517.651 4.188 50 0 KIAAMO COc1cccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)c1 ZINC000034830122 554014362 /nfs/dbraw/zinc/01/43/62/554014362.db2.gz FHLPMLUUPLLEOI-PIKZIKFNSA-N 1 1 503.668 4.467 50 0 KIAAMO COc1cccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000034830123 554014403 /nfs/dbraw/zinc/01/44/03/554014403.db2.gz FHLPMLUUPLLEOI-KMRXNPHXSA-N 1 1 503.668 4.467 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034830130 554014379 /nfs/dbraw/zinc/01/43/79/554014379.db2.gz DJFPOBBNXZBAQO-DJUQAAIZSA-N 1 1 517.695 4.362 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034830131 554014396 /nfs/dbraw/zinc/01/43/96/554014396.db2.gz DJFPOBBNXZBAQO-JHOBJCJYSA-N 1 1 517.695 4.362 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830138 554014413 /nfs/dbraw/zinc/01/44/13/554014413.db2.gz YPRLZUHIAOJZRD-DCFHFQCYSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830138 554014411 /nfs/dbraw/zinc/01/44/11/554014411.db2.gz YPRLZUHIAOJZRD-DCFHFQCYSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830139 554014390 /nfs/dbraw/zinc/01/43/90/554014390.db2.gz YPRLZUHIAOJZRD-HRFSGMKKSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830139 554014388 /nfs/dbraw/zinc/01/43/88/554014388.db2.gz YPRLZUHIAOJZRD-HRFSGMKKSA-N 1 1 519.667 4.086 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830204 554014707 /nfs/dbraw/zinc/01/47/07/554014707.db2.gz MSTQZJFCQZLSLN-GDLZYMKVSA-N 1 1 503.668 4.144 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830205 554014816 /nfs/dbraw/zinc/01/48/16/554014816.db2.gz MSTQZJFCQZLSLN-LJAQVGFWSA-N 1 1 503.668 4.144 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830226 554014839 /nfs/dbraw/zinc/01/48/39/554014839.db2.gz KAEUVWMQWWVBAK-SSEXGKCCSA-N 1 1 517.695 4.282 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830227 554014806 /nfs/dbraw/zinc/01/48/06/554014806.db2.gz KAEUVWMQWWVBAK-PMERELPUSA-N 1 1 517.695 4.282 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830250 554015436 /nfs/dbraw/zinc/01/54/36/554015436.db2.gz YBSVBJKGYPVSRA-GDLZYMKVSA-N 1 1 531.678 4.498 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830251 554015193 /nfs/dbraw/zinc/01/51/93/554015193.db2.gz YBSVBJKGYPVSRA-LJAQVGFWSA-N 1 1 531.678 4.498 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830330 554015168 /nfs/dbraw/zinc/01/51/68/554015168.db2.gz GULQGEAZBYHNJZ-RBISFHTESA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830331 554015251 /nfs/dbraw/zinc/01/52/51/554015251.db2.gz GULQGEAZBYHNJZ-DWACAAAGSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830350 554015334 /nfs/dbraw/zinc/01/53/34/554015334.db2.gz MQQKNYPCXMMLED-CCLHPLFOSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830351 554015413 /nfs/dbraw/zinc/01/54/13/554015413.db2.gz MQQKNYPCXMMLED-DCFHFQCYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830352 554015310 /nfs/dbraw/zinc/01/53/10/554015310.db2.gz GFPNVRUITGINDD-RBTNQOKQSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830353 554015173 /nfs/dbraw/zinc/01/51/73/554015173.db2.gz GFPNVRUITGINDD-KMRXNPHXSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830424 554015633 /nfs/dbraw/zinc/01/56/33/554015633.db2.gz JHIRAXCFJFOOGW-RBTNQOKQSA-N 1 1 531.678 4.496 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830425 554015674 /nfs/dbraw/zinc/01/56/74/554015674.db2.gz JHIRAXCFJFOOGW-KMRXNPHXSA-N 1 1 531.678 4.496 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830498 554016127 /nfs/dbraw/zinc/01/61/27/554016127.db2.gz JJGOCLSEEDAIBQ-LJAQVGFWSA-N 1 1 521.658 4.112 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830499 554015992 /nfs/dbraw/zinc/01/59/92/554015992.db2.gz JJGOCLSEEDAIBQ-GDLZYMKVSA-N 1 1 521.658 4.112 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830599 554016605 /nfs/dbraw/zinc/01/66/05/554016605.db2.gz URDPOZYHXFYTCI-HHHXNRCGSA-N 1 1 509.697 4.009 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830600 554016686 /nfs/dbraw/zinc/01/66/86/554016686.db2.gz URDPOZYHXFYTCI-MHZLTWQESA-N 1 1 509.697 4.009 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830619 554016468 /nfs/dbraw/zinc/01/64/68/554016468.db2.gz IFHWSOGJJCARTE-WXVAWEFUSA-N 1 1 523.724 4.316 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830620 554016658 /nfs/dbraw/zinc/01/66/58/554016658.db2.gz IFHWSOGJJCARTE-CUNXSJBXSA-N 1 1 523.724 4.316 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830631 554016537 /nfs/dbraw/zinc/01/65/37/554016537.db2.gz WLWFIFVPRGEBMO-HRFSGMKKSA-N 1 1 527.687 4.146 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830632 554016522 /nfs/dbraw/zinc/01/65/22/554016522.db2.gz WLWFIFVPRGEBMO-DCFHFQCYSA-N 1 1 527.687 4.146 50 0 KIAAMO COc1ccccc1-c1cc(C(=O)NCCC[NH+]2CCOCC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834327 554018803 /nfs/dbraw/zinc/01/88/03/554018803.db2.gz BJBFERHARPWYHL-UHFFFAOYSA-N 1 1 506.006 4.177 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871680 554022359 /nfs/dbraw/zinc/02/23/59/554022359.db2.gz STUUNJNEHMRXKW-UHFFFAOYSA-N 1 1 509.969 4.128 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871680 554022356 /nfs/dbraw/zinc/02/23/56/554022356.db2.gz STUUNJNEHMRXKW-UHFFFAOYSA-N 1 1 509.969 4.128 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871682 554022334 /nfs/dbraw/zinc/02/23/34/554022334.db2.gz KFOBVGYXGKJSSV-UHFFFAOYSA-N 1 1 509.969 4.128 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871682 554022331 /nfs/dbraw/zinc/02/23/31/554022331.db2.gz KFOBVGYXGKJSSV-UHFFFAOYSA-N 1 1 509.969 4.128 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(Cl)cc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871685 562043736 /nfs/dbraw/zinc/04/37/36/562043736.db2.gz UVKPSEBQJRUWHL-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(Cl)cc3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871685 562043735 /nfs/dbraw/zinc/04/37/35/562043735.db2.gz UVKPSEBQJRUWHL-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO CCn1c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871686 554022346 /nfs/dbraw/zinc/02/23/46/554022346.db2.gz KLQYRQVTHRHBOC-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO CCn1c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871686 554022343 /nfs/dbraw/zinc/02/23/43/554022343.db2.gz KLQYRQVTHRHBOC-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO O=C([C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034916953 554030129 /nfs/dbraw/zinc/03/01/29/554030129.db2.gz UKMPJZOPYLBMDO-LJQANCHMSA-N 1 1 513.482 4.417 50 0 KIAAMO O=C([C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034916955 554030149 /nfs/dbraw/zinc/03/01/49/554030149.db2.gz UKMPJZOPYLBMDO-IBGZPJMESA-N 1 1 513.482 4.417 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919517 554030552 /nfs/dbraw/zinc/03/05/52/554030552.db2.gz NFGRKKSVACVSAJ-QFIPXVFZSA-N 1 1 506.672 4.049 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919520 554030574 /nfs/dbraw/zinc/03/05/74/554030574.db2.gz NFGRKKSVACVSAJ-JOCHJYFZSA-N 1 1 506.672 4.049 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccs3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919532 554030805 /nfs/dbraw/zinc/03/08/05/554030805.db2.gz MKWOCUSSCPPZQN-FQEVSTJZSA-N 1 1 512.701 4.111 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccs3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919535 554030772 /nfs/dbraw/zinc/03/07/72/554030772.db2.gz MKWOCUSSCPPZQN-HXUWFJFHSA-N 1 1 512.701 4.111 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919541 554030762 /nfs/dbraw/zinc/03/07/62/554030762.db2.gz FUZZBGUEIQNGGM-QHCPKHFHSA-N 1 1 520.699 4.439 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919544 554030622 /nfs/dbraw/zinc/03/06/22/554030622.db2.gz FUZZBGUEIQNGGM-HSZRJFAPSA-N 1 1 520.699 4.439 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919546 554030629 /nfs/dbraw/zinc/03/06/29/554030629.db2.gz IVWCBOBXBKJBCC-FQEVSTJZSA-N 1 1 510.635 4.259 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919547 554030633 /nfs/dbraw/zinc/03/06/33/554030633.db2.gz IVWCBOBXBKJBCC-HXUWFJFHSA-N 1 1 510.635 4.259 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919563 554030848 /nfs/dbraw/zinc/03/08/48/554030848.db2.gz AJBZLYFEPWDPKT-NRFANRHFSA-N 1 1 522.671 4.129 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919565 554030736 /nfs/dbraw/zinc/03/07/36/554030736.db2.gz AJBZLYFEPWDPKT-OAQYLSRUSA-N 1 1 522.671 4.129 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919591 554030823 /nfs/dbraw/zinc/03/08/23/554030823.db2.gz MBRFYKQHKBXVEL-HHHXNRCGSA-N 1 1 532.710 4.366 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919594 554030700 /nfs/dbraw/zinc/03/07/00/554030700.db2.gz MBRFYKQHKBXVEL-MHZLTWQESA-N 1 1 532.710 4.366 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919631 554030745 /nfs/dbraw/zinc/03/07/45/554030745.db2.gz OQXVDLNCTTWTBJ-RUZDIDTESA-N 1 1 510.704 4.313 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919633 554030683 /nfs/dbraw/zinc/03/06/83/554030683.db2.gz OQXVDLNCTTWTBJ-VWLOTQADSA-N 1 1 510.704 4.313 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919951 554031303 /nfs/dbraw/zinc/03/13/03/554031303.db2.gz JKXCZEVHLKTEDW-NRFANRHFSA-N 1 1 513.708 4.322 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919953 554031323 /nfs/dbraw/zinc/03/13/23/554031323.db2.gz JKXCZEVHLKTEDW-OAQYLSRUSA-N 1 1 513.708 4.322 50 0 KIAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC(C)C)no2)c1 ZINC000034922629 554032523 /nfs/dbraw/zinc/03/25/23/554032523.db2.gz STAJDZOTLAPHKS-UHFFFAOYSA-N 1 1 504.631 4.183 50 0 KIAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)CC(C)C)no2)c1 ZINC000034922660 554032492 /nfs/dbraw/zinc/03/24/92/554032492.db2.gz RDLFLXFLZSXOHT-UHFFFAOYSA-N 1 1 518.658 4.491 50 0 KIAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928257 554033060 /nfs/dbraw/zinc/03/30/60/554033060.db2.gz ZYVXIIDVLGZARP-YMSRPXOMSA-N 1 1 509.647 4.004 50 0 KIAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928258 554032994 /nfs/dbraw/zinc/03/29/94/554032994.db2.gz ZYVXIIDVLGZARP-XZZVZQAVSA-N 1 1 509.647 4.004 50 0 KIAAMO COc1ccc(C(O)=C2[C@]3(C(=O)Nc4c3cc(C)cc4C)[N@@H+]3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000035363860 554044760 /nfs/dbraw/zinc/04/47/60/554044760.db2.gz WTFWXBIQZIGIDT-LQBYHZHOSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO COc1ccc(C(O)=C2[C@]3(C(=O)Nc4c3cc(C)cc4C)[N@H+]3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000035363860 554044756 /nfs/dbraw/zinc/04/47/56/554044756.db2.gz WTFWXBIQZIGIDT-LQBYHZHOSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@H]2[C@@]3(c4ccccc4NC3=O)[C@@H]3CCC[N@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035363860 554044754 /nfs/dbraw/zinc/04/47/54/554044754.db2.gz WTFWXBIQZIGIDT-LQBYHZHOSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035374534 554045373 /nfs/dbraw/zinc/04/53/73/554045373.db2.gz DMKFFRJHEQMAGS-KHTISZTLSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035374534 554045371 /nfs/dbraw/zinc/04/53/71/554045371.db2.gz DMKFFRJHEQMAGS-KHTISZTLSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035374608 554045288 /nfs/dbraw/zinc/04/52/88/554045288.db2.gz QJHZLUPCKCYQON-KHTISZTLSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035374608 554045285 /nfs/dbraw/zinc/04/52/85/554045285.db2.gz QJHZLUPCKCYQON-KHTISZTLSA-N 1 1 500.382 4.050 50 0 KIAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000035377347 554045609 /nfs/dbraw/zinc/04/56/09/554045609.db2.gz GBLSBZRUXKLCGW-UHFFFAOYSA-N 1 1 523.699 4.254 50 0 KIAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035396311 554047318 /nfs/dbraw/zinc/04/73/18/554047318.db2.gz HWDPFJYBEWFTIK-FDGPYGQJSA-N 1 1 503.908 4.204 50 0 KIAAMO CCOC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427200 554051168 /nfs/dbraw/zinc/05/11/68/554051168.db2.gz WICSVDCMTIQCJH-VWLOTQADSA-N 1 1 508.644 4.103 50 0 KIAAMO CCOC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427200 554051165 /nfs/dbraw/zinc/05/11/65/554051165.db2.gz WICSVDCMTIQCJH-VWLOTQADSA-N 1 1 508.644 4.103 50 0 KIAAMO CCOC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427202 554051014 /nfs/dbraw/zinc/05/10/14/554051014.db2.gz WICSVDCMTIQCJH-RUZDIDTESA-N 1 1 508.644 4.103 50 0 KIAAMO CCOC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427202 554051011 /nfs/dbraw/zinc/05/10/11/554051011.db2.gz WICSVDCMTIQCJH-RUZDIDTESA-N 1 1 508.644 4.103 50 0 KIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000035564949 554061059 /nfs/dbraw/zinc/06/10/59/554061059.db2.gz YWHSLRWNUYHBSQ-VWNXMTODSA-N 1 1 511.669 4.095 50 0 KIAAMO Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCC[NH+]2CCOCC2)C(=O)c2ccccc2C)o1 ZINC000035765622 554071509 /nfs/dbraw/zinc/07/15/09/554071509.db2.gz JKUVJQZEWJCXKA-UHFFFAOYSA-N 1 1 503.643 4.290 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COCC(C)C)CC2CC2)c1 ZINC000035778988 554074748 /nfs/dbraw/zinc/07/47/48/554074748.db2.gz KELSOSNTOYLBPG-JYFHCDHNSA-N 1 1 500.705 4.307 50 0 KIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COCC(C)C)CC2CC2)c1 ZINC000035778990 554074645 /nfs/dbraw/zinc/07/46/45/554074645.db2.gz KELSOSNTOYLBPG-OZXSUGGESA-N 1 1 500.705 4.307 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806807 554075723 /nfs/dbraw/zinc/07/57/23/554075723.db2.gz GPMILASLXAYRTN-LLXHICIGSA-N 1 1 507.590 4.408 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807160 554076090 /nfs/dbraw/zinc/07/60/90/554076090.db2.gz TXAPGBAUFDPOSG-APPQYHDTSA-N 1 1 507.590 4.408 50 0 KIAAMO CC(=O)c1ccc2c(c1)N(CCCC(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)C(=O)CO2 ZINC000035829215 554079343 /nfs/dbraw/zinc/07/93/43/554079343.db2.gz DBPMDWJWUNPXIT-UHFFFAOYSA-N 1 1 511.622 4.329 50 0 KIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843294 554082153 /nfs/dbraw/zinc/08/21/53/554082153.db2.gz MOVHWHGVJBESTF-SYSFZUQMSA-N 1 1 503.908 4.407 50 0 KIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851712 554083618 /nfs/dbraw/zinc/08/36/18/554083618.db2.gz BGHVDJNBCWPPKQ-BKJGLDIHSA-N 1 1 503.908 4.407 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cc(Cl)cc3C)c(Br)c1 ZINC000035851876 554084067 /nfs/dbraw/zinc/08/40/67/554084067.db2.gz UAOVBMZOQXSJMY-UAKAABGRSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cc(Cl)cc3C)c(Br)c1 ZINC000035851876 554084062 /nfs/dbraw/zinc/08/40/62/554084062.db2.gz UAOVBMZOQXSJMY-UAKAABGRSA-N 1 1 514.807 4.151 50 0 KIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871452 554085786 /nfs/dbraw/zinc/08/57/86/554085786.db2.gz NXKQCAHDPXTDNM-BDYUSTAISA-N 1 1 508.588 4.365 50 0 KIAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871573 554086242 /nfs/dbraw/zinc/08/62/42/554086242.db2.gz BOEOAFQZTJGXQW-BDYUSTAISA-N 1 1 524.587 4.201 50 0 KIAAMO O=C(NCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871579 554086106 /nfs/dbraw/zinc/08/61/06/554086106.db2.gz GMQYUOSCHCNZFI-AHWVRZQESA-N 1 1 510.560 4.159 50 0 KIAAMO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871580 554086146 /nfs/dbraw/zinc/08/61/46/554086146.db2.gz JZTBXLQQJINUHG-AHWVRZQESA-N 1 1 510.560 4.159 50 0 KIAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872076 554086471 /nfs/dbraw/zinc/08/64/71/554086471.db2.gz ZBCQQZFUUBIYLQ-XRKRLSELSA-N 1 1 503.618 4.065 50 0 KIAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872077 554086511 /nfs/dbraw/zinc/08/65/11/554086511.db2.gz ZBCQQZFUUBIYLQ-LMSSTIIKSA-N 1 1 503.618 4.065 50 0 KIAAMO CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035877172 554087852 /nfs/dbraw/zinc/08/78/52/554087852.db2.gz MJRMUZWTEQGRHA-SANMLTNESA-N 1 1 502.659 4.023 50 0 KIAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894114 554091799 /nfs/dbraw/zinc/09/17/99/554091799.db2.gz NWVAOZRFCFUSLD-XNMGPUDCSA-N 1 1 503.618 4.065 50 0 KIAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894116 554091835 /nfs/dbraw/zinc/09/18/35/554091835.db2.gz NWVAOZRFCFUSLD-AHKZPQOWSA-N 1 1 503.618 4.065 50 0 KIAAMO CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)CC1 ZINC000035908095 554092287 /nfs/dbraw/zinc/09/22/87/554092287.db2.gz FZXGDMNCXSYXIG-ISKFKSNPSA-N 1 1 507.597 4.113 50 0 KIAAMO CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)CC1 ZINC000035908096 554092277 /nfs/dbraw/zinc/09/22/77/554092277.db2.gz FZXGDMNCXSYXIG-LADGPHEKSA-N 1 1 507.597 4.113 50 0 KIAAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000035908110 554092246 /nfs/dbraw/zinc/09/22/46/554092246.db2.gz FOOAQQLGYDPMKP-RFRNZTGYSA-N 1 1 517.592 4.083 50 0 KIAAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000035908112 554092696 /nfs/dbraw/zinc/09/26/96/554092696.db2.gz FOOAQQLGYDPMKP-QBIGFDGOSA-N 1 1 517.592 4.083 50 0 KIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c(C(=O)N2CCOCC2)c1)c1cccc(F)c1 ZINC000036027567 554141042 /nfs/dbraw/zinc/14/10/42/554141042.db2.gz JXMNNIACRRBFSF-UHFFFAOYSA-N 1 1 520.580 4.012 50 0 KIAAMO CC(C)Cn1c(CN(CC[NH+](C)C)C(=S)Nc2ccc(F)cc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031995 554145526 /nfs/dbraw/zinc/14/55/26/554145526.db2.gz YAGZTPJFPGNNQI-UHFFFAOYSA-N 1 1 531.723 4.413 50 0 KIAAMO Cc1cccc(CS(=O)(=O)c2ncc(CN(CC[NH+](C)C)C(=S)NC3CC3)n2C2CCCCC2)c1 ZINC000036032245 554145753 /nfs/dbraw/zinc/14/57/53/554145753.db2.gz BHKLRZKQLVTBLZ-UHFFFAOYSA-N 1 1 517.765 4.071 50 0 KIAAMO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000036038507 554146829 /nfs/dbraw/zinc/14/68/29/554146829.db2.gz DHZSQUKRSFAZHI-UHFFFAOYSA-N 1 1 534.705 4.185 50 0 KIAAMO C[NH+](C)CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)C1CCCC1 ZINC000036040000 554148039 /nfs/dbraw/zinc/14/80/39/554148039.db2.gz CHRXSHPEFFYERK-UHFFFAOYSA-N 1 1 526.678 4.125 50 0 KIAAMO C[NH+](C)CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1cccs1 ZINC000036040225 554148690 /nfs/dbraw/zinc/14/86/90/554148690.db2.gz URLPAEMAJBKBMG-UHFFFAOYSA-N 1 1 522.696 4.171 50 0 KIAAMO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000036040227 554148740 /nfs/dbraw/zinc/14/87/40/554148740.db2.gz KGYDUIDDRQYHLK-UHFFFAOYSA-N 1 1 530.694 4.418 50 0 KIAAMO Cc1ccccc1CS(=O)(=O)c1ncc(CN(CC[NH+](C)C)C(=O)C2CCCC2)n1Cc1ccccc1 ZINC000036040332 554148986 /nfs/dbraw/zinc/14/89/86/554148986.db2.gz ZSVQERXQTYRIEQ-UHFFFAOYSA-N 1 1 522.715 4.294 50 0 KIAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)o2)n1 ZINC000036040955 554150768 /nfs/dbraw/zinc/15/07/68/554150768.db2.gz RGGDLLFGIKIUQW-VMPITWQZSA-N 1 1 533.698 4.484 50 0 KIAAMO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036043403 554151814 /nfs/dbraw/zinc/15/18/14/554151814.db2.gz NCEDWIVBPQXMSX-NGOKVRLYSA-N 1 1 510.656 4.487 50 0 KIAAMO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)cc1 ZINC000036043403 554151810 /nfs/dbraw/zinc/15/18/10/554151810.db2.gz NCEDWIVBPQXMSX-NGOKVRLYSA-N 1 1 510.656 4.487 50 0 KIAAMO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036043404 554151761 /nfs/dbraw/zinc/15/17/61/554151761.db2.gz NCEDWIVBPQXMSX-PIIWDFAUSA-N 1 1 510.656 4.487 50 0 KIAAMO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)cc1 ZINC000036043404 554151759 /nfs/dbraw/zinc/15/17/59/554151759.db2.gz NCEDWIVBPQXMSX-PIIWDFAUSA-N 1 1 510.656 4.487 50 0 KIAAMO COCCNC(=O)c1ccc(CSc2nc(C)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000036053845 554158744 /nfs/dbraw/zinc/15/87/44/554158744.db2.gz LRWQLWXPEAAVTK-RMKNXTFCSA-N 1 1 517.699 4.289 50 0 KIAAMO Cc1nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000036064109 554162992 /nfs/dbraw/zinc/16/29/92/554162992.db2.gz UHDSRFKKDFPRNX-UHFFFAOYSA-N 1 1 534.705 4.239 50 0 KIAAMO C[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000036065130 554163856 /nfs/dbraw/zinc/16/38/56/554163856.db2.gz OPLGZWNVQLCACJ-UHFFFAOYSA-N 1 1 504.704 4.186 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000036066151 554165325 /nfs/dbraw/zinc/16/53/25/554165325.db2.gz CDABTYXDDFLVMK-KYJUHHDHSA-N 1 1 525.649 4.105 50 0 KIAAMO COc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000036070933 554167525 /nfs/dbraw/zinc/16/75/25/554167525.db2.gz OFSWBYXPTXJDKW-UHFFFAOYSA-N 1 1 525.609 4.473 50 0 KIAAMO CC(=O)N1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)CC1 ZINC000036073612 554171714 /nfs/dbraw/zinc/17/17/14/554171714.db2.gz SQOFPLGGXNQZDL-UHFFFAOYSA-N 1 1 505.644 4.075 50 0 KIAAMO CC(=O)N1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)CC1 ZINC000036073612 554171710 /nfs/dbraw/zinc/17/17/10/554171710.db2.gz SQOFPLGGXNQZDL-UHFFFAOYSA-N 1 1 505.644 4.075 50 0 KIAAMO O[C@H](COc1ccc([C@@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000036077767 554174443 /nfs/dbraw/zinc/17/44/43/554174443.db2.gz MIYQPXBEPVFSNI-ZDIDPRFDSA-N 1 1 518.698 4.351 50 0 KIAAMO O[C@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@@H]3C=CCC3)cc2)CC1 ZINC000036077767 554174440 /nfs/dbraw/zinc/17/44/40/554174440.db2.gz MIYQPXBEPVFSNI-ZDIDPRFDSA-N 1 1 518.698 4.351 50 0 KIAAMO COc1ccc(-n2ncc(Oc3cccc(C)c3)c(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2=O)cc1 ZINC000036082557 554174781 /nfs/dbraw/zinc/17/47/81/554174781.db2.gz ZWGLUMMXXYALDE-UHFFFAOYSA-N 1 1 525.609 4.473 50 0 KIAAMO COc1ccc(-n2ncc(Oc3ccccc3)c(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2=O)cc1 ZINC000036084867 554175727 /nfs/dbraw/zinc/17/57/27/554175727.db2.gz ZIUJGYXMDXZRHX-UHFFFAOYSA-N 1 1 511.582 4.165 50 0 KIAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(F)cc4)cnn(-c4ccc(F)cc4)c3=O)c2)CC1 ZINC000036094185 554178220 /nfs/dbraw/zinc/17/82/20/554178220.db2.gz YEFPCBDBTSTDRH-UHFFFAOYSA-N 1 1 517.536 4.434 50 0 KIAAMO C[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000036094191 554178278 /nfs/dbraw/zinc/17/82/78/554178278.db2.gz DNGORKZVDZVQNC-UHFFFAOYSA-N 1 1 517.536 4.434 50 0 KIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147013 554198157 /nfs/dbraw/zinc/19/81/57/554198157.db2.gz WUEXAOZTKFVTOH-NOZRDPDXSA-N 1 1 504.583 4.167 50 0 KIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147016 554198054 /nfs/dbraw/zinc/19/80/54/554198054.db2.gz WUEXAOZTKFVTOH-ZCYQVOJMSA-N 1 1 504.583 4.167 50 0 KIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCc1ccccc1 ZINC000036205638 554201682 /nfs/dbraw/zinc/20/16/82/554201682.db2.gz UPIBZPDQEOYCAX-QHCPKHFHSA-N 1 1 507.656 4.376 50 0 KIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@H](O)COCc1ccccc1 ZINC000036205638 554201680 /nfs/dbraw/zinc/20/16/80/554201680.db2.gz UPIBZPDQEOYCAX-QHCPKHFHSA-N 1 1 507.656 4.376 50 0 KIAAMO COCCC[N@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000036205641 554201726 /nfs/dbraw/zinc/20/17/26/554201726.db2.gz UPIBZPDQEOYCAX-HSZRJFAPSA-N 1 1 507.656 4.376 50 0 KIAAMO COCCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000036205641 554201723 /nfs/dbraw/zinc/20/17/23/554201723.db2.gz UPIBZPDQEOYCAX-HSZRJFAPSA-N 1 1 507.656 4.376 50 0 KIAAMO CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205994 554201646 /nfs/dbraw/zinc/20/16/46/554201646.db2.gz IWMSVNCGAIVYBJ-LJQANCHMSA-N 1 1 501.649 4.201 50 0 KIAAMO CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205997 554201633 /nfs/dbraw/zinc/20/16/33/554201633.db2.gz IWMSVNCGAIVYBJ-IBGZPJMESA-N 1 1 501.649 4.201 50 0 KIAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206027 554201502 /nfs/dbraw/zinc/20/15/02/554201502.db2.gz UGQIJCIJBHGPQX-IBGZPJMESA-N 1 1 503.665 4.303 50 0 KIAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206027 554201500 /nfs/dbraw/zinc/20/15/00/554201500.db2.gz UGQIJCIJBHGPQX-IBGZPJMESA-N 1 1 503.665 4.303 50 0 KIAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206030 554201606 /nfs/dbraw/zinc/20/16/06/554201606.db2.gz UGQIJCIJBHGPQX-LJQANCHMSA-N 1 1 503.665 4.303 50 0 KIAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)nc(=O)c23)cc1OC ZINC000036206030 554201602 /nfs/dbraw/zinc/20/16/02/554201602.db2.gz UGQIJCIJBHGPQX-LJQANCHMSA-N 1 1 503.665 4.303 50 0 KIAAMO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036217451 554207577 /nfs/dbraw/zinc/20/75/77/554207577.db2.gz CHYAHBJJVNHYJB-DQEYMECFSA-N 1 1 518.639 4.145 50 0 KIAAMO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036217452 554207616 /nfs/dbraw/zinc/20/76/16/554207616.db2.gz CHYAHBJJVNHYJB-RPBOFIJWSA-N 1 1 518.639 4.145 50 0 KIAAMO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036217453 554207544 /nfs/dbraw/zinc/20/75/44/554207544.db2.gz CHYAHBJJVNHYJB-LOSJGSFVSA-N 1 1 518.639 4.145 50 0 KIAAMO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036217455 554207536 /nfs/dbraw/zinc/20/75/36/554207536.db2.gz CHYAHBJJVNHYJB-JWQCQUIFSA-N 1 1 518.639 4.145 50 0 KIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)CN1CCOCC1 ZINC000036249094 554209909 /nfs/dbraw/zinc/20/99/09/554209909.db2.gz DMNYJWCUXZEXRW-YIXXDRMTSA-N 1 1 504.675 4.198 50 0 KIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)CN1CCOCC1 ZINC000036249095 554210229 /nfs/dbraw/zinc/21/02/29/554210229.db2.gz DMNYJWCUXZEXRW-WNCULLNHSA-N 1 1 504.675 4.198 50 0 KIAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249730 554210131 /nfs/dbraw/zinc/21/01/31/554210131.db2.gz SGHNNCNGZSIGKR-RPBOFIJWSA-N 1 1 525.621 4.047 50 0 KIAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249731 554210136 /nfs/dbraw/zinc/21/01/36/554210136.db2.gz SGHNNCNGZSIGKR-DQEYMECFSA-N 1 1 525.621 4.047 50 0 KIAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249798 554210257 /nfs/dbraw/zinc/21/02/57/554210257.db2.gz RQWYRNPTWUOHPH-RUZDIDTESA-N 1 1 503.599 4.351 50 0 KIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249798 554210254 /nfs/dbraw/zinc/21/02/54/554210254.db2.gz RQWYRNPTWUOHPH-RUZDIDTESA-N 1 1 503.599 4.351 50 0 KIAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249799 554210149 /nfs/dbraw/zinc/21/01/49/554210149.db2.gz RQWYRNPTWUOHPH-VWLOTQADSA-N 1 1 503.599 4.351 50 0 KIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249799 554210145 /nfs/dbraw/zinc/21/01/45/554210145.db2.gz RQWYRNPTWUOHPH-VWLOTQADSA-N 1 1 503.599 4.351 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036256938 554210869 /nfs/dbraw/zinc/21/08/69/554210869.db2.gz NZBSVQLXLNPCKV-PXDATVDWSA-N 1 1 533.555 4.146 50 0 KIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036256942 554210831 /nfs/dbraw/zinc/21/08/31/554210831.db2.gz NZBSVQLXLNPCKV-SQJMNOBHSA-N 1 1 533.555 4.146 50 0 KIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)CN1CCOCC1 ZINC000036304001 554213990 /nfs/dbraw/zinc/21/39/90/554213990.db2.gz UXGRUENYJGTGSG-XMMPIXPASA-N 1 1 514.617 4.402 50 0 KIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036304003 554213782 /nfs/dbraw/zinc/21/37/82/554213782.db2.gz UXGRUENYJGTGSG-DEOSSOPVSA-N 1 1 514.617 4.402 50 0 KIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036304294 554214505 /nfs/dbraw/zinc/21/45/05/554214505.db2.gz LHXKMYPVPLCTIM-XMMPIXPASA-N 1 1 512.601 4.156 50 0 KIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036304297 554214398 /nfs/dbraw/zinc/21/43/98/554214398.db2.gz LHXKMYPVPLCTIM-DEOSSOPVSA-N 1 1 512.601 4.156 50 0 KIAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305258 554215041 /nfs/dbraw/zinc/21/50/41/554215041.db2.gz SSLQBCQEDXMSER-XMMPIXPASA-N 1 1 511.066 4.438 50 0 KIAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305260 554215432 /nfs/dbraw/zinc/21/54/32/554215432.db2.gz SSLQBCQEDXMSER-DEOSSOPVSA-N 1 1 511.066 4.438 50 0 KIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036309301 554216579 /nfs/dbraw/zinc/21/65/79/554216579.db2.gz POQNMWMWIPHREA-OFVILXPXSA-N 1 1 504.693 4.007 50 0 KIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036309302 554217170 /nfs/dbraw/zinc/21/71/70/554217170.db2.gz POQNMWMWIPHREA-BWKNWUBXSA-N 1 1 504.693 4.007 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000036309469 554217146 /nfs/dbraw/zinc/21/71/46/554217146.db2.gz VFMHTKWLVLLOLE-WNCULLNHSA-N 1 1 506.668 4.466 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000036309469 554217143 /nfs/dbraw/zinc/21/71/43/554217143.db2.gz VFMHTKWLVLLOLE-WNCULLNHSA-N 1 1 506.668 4.466 50 0 KIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000036309470 554217192 /nfs/dbraw/zinc/21/71/92/554217192.db2.gz VFMHTKWLVLLOLE-HOFKKMOUSA-N 1 1 506.668 4.466 50 0 KIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000036309470 554217189 /nfs/dbraw/zinc/21/71/89/554217189.db2.gz VFMHTKWLVLLOLE-HOFKKMOUSA-N 1 1 506.668 4.466 50 0 KIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309755 554217697 /nfs/dbraw/zinc/21/76/97/554217697.db2.gz GKBQNCWOXQEVFM-OFVILXPXSA-N 1 1 516.635 4.273 50 0 KIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309757 554217548 /nfs/dbraw/zinc/21/75/48/554217548.db2.gz GKBQNCWOXQEVFM-BWKNWUBXSA-N 1 1 516.635 4.273 50 0 KIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309797 554217754 /nfs/dbraw/zinc/21/77/54/554217754.db2.gz HLXWXFBESWLDCV-OFVILXPXSA-N 1 1 516.635 4.275 50 0 KIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309799 554217678 /nfs/dbraw/zinc/21/76/78/554217678.db2.gz HLXWXFBESWLDCV-BWKNWUBXSA-N 1 1 516.635 4.275 50 0 KIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036309928 554217803 /nfs/dbraw/zinc/21/78/03/554217803.db2.gz RJFMPNNVDBXCAH-AHWVRZQESA-N 1 1 508.684 4.461 50 0 KIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309931 554217689 /nfs/dbraw/zinc/21/76/89/554217689.db2.gz RJFMPNNVDBXCAH-RSXGOPAZSA-N 1 1 508.684 4.461 50 0 KIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036309987 554217561 /nfs/dbraw/zinc/21/75/61/554217561.db2.gz LXOJYNQVJHHLPT-ZCYQVOJMSA-N 1 1 524.683 4.161 50 0 KIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000036309989 554218056 /nfs/dbraw/zinc/21/80/56/554218056.db2.gz LXOJYNQVJHHLPT-NOZRDPDXSA-N 1 1 524.683 4.161 50 0 KIAAMO CC(C)COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310187 554218003 /nfs/dbraw/zinc/21/80/03/554218003.db2.gz DSJPFJDMBRTJES-RDGATRHJSA-N 1 1 504.668 4.138 50 0 KIAAMO CC(C)COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310189 554218131 /nfs/dbraw/zinc/21/81/31/554218131.db2.gz DSJPFJDMBRTJES-DHLKQENFSA-N 1 1 504.668 4.138 50 0 KIAAMO COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C[C@@H]2CCCO2)c1 ZINC000036312271 554218462 /nfs/dbraw/zinc/21/84/62/554218462.db2.gz FTYPDHHRVJSOKC-DEOSSOPVSA-N 1 1 508.594 4.063 50 0 KIAAMO COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C[C@H]2CCCO2)c1 ZINC000036312272 554218557 /nfs/dbraw/zinc/21/85/57/554218557.db2.gz FTYPDHHRVJSOKC-XMMPIXPASA-N 1 1 508.594 4.063 50 0 KIAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313400 554218770 /nfs/dbraw/zinc/21/87/70/554218770.db2.gz IFXSNTKCMZRWRX-PKTZIBPZSA-N 1 1 525.621 4.047 50 0 KIAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313401 554218924 /nfs/dbraw/zinc/21/89/24/554218924.db2.gz IFXSNTKCMZRWRX-GOTSBHOMSA-N 1 1 525.621 4.047 50 0 KIAAMO COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341247 554220902 /nfs/dbraw/zinc/22/09/02/554220902.db2.gz XLFSEIQNMIKAKG-LJAQVGFWSA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341248 554220840 /nfs/dbraw/zinc/22/08/40/554220840.db2.gz XLFSEIQNMIKAKG-GDLZYMKVSA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341327 554220986 /nfs/dbraw/zinc/22/09/86/554220986.db2.gz KJBLIXWGIWDXGB-NDEPHWFRSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341328 554221008 /nfs/dbraw/zinc/22/10/08/554221008.db2.gz KJBLIXWGIWDXGB-MUUNZHRXSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)c(OC)c1 ZINC000036341437 554220978 /nfs/dbraw/zinc/22/09/78/554220978.db2.gz OPRAACVZMWUWCP-NDEPHWFRSA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000036341438 554220851 /nfs/dbraw/zinc/22/08/51/554220851.db2.gz OPRAACVZMWUWCP-MUUNZHRXSA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341722 554221241 /nfs/dbraw/zinc/22/12/41/554221241.db2.gz TUIXBYQXZPYZHH-NDEPHWFRSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341723 554221308 /nfs/dbraw/zinc/22/13/08/554221308.db2.gz TUIXBYQXZPYZHH-MUUNZHRXSA-N 1 1 516.617 4.338 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341771 554221232 /nfs/dbraw/zinc/22/12/32/554221232.db2.gz XQBAQMCVABGPKE-SANMLTNESA-N 1 1 500.574 4.050 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341772 554221143 /nfs/dbraw/zinc/22/11/43/554221143.db2.gz XQBAQMCVABGPKE-AREMUKBSSA-N 1 1 500.574 4.050 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341821 554221292 /nfs/dbraw/zinc/22/12/92/554221292.db2.gz MGCTVBUORCBQGJ-SANMLTNESA-N 1 1 500.574 4.050 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341822 554221088 /nfs/dbraw/zinc/22/10/88/554221088.db2.gz MGCTVBUORCBQGJ-AREMUKBSSA-N 1 1 500.574 4.050 50 0 KIAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341980 554221107 /nfs/dbraw/zinc/22/11/07/554221107.db2.gz KDNNTZMKHLCQOE-RUZDIDTESA-N 1 1 508.663 4.133 50 0 KIAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341981 554221297 /nfs/dbraw/zinc/22/12/97/554221297.db2.gz KDNNTZMKHLCQOE-VWLOTQADSA-N 1 1 508.663 4.133 50 0 KIAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341994 554221204 /nfs/dbraw/zinc/22/12/04/554221204.db2.gz ACXDRPGALHLUCP-RCZVLFRGSA-N 1 1 508.663 4.275 50 0 KIAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341995 554221184 /nfs/dbraw/zinc/22/11/84/554221184.db2.gz ACXDRPGALHLUCP-WIOPSUGQSA-N 1 1 508.663 4.275 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343453 554222006 /nfs/dbraw/zinc/22/20/06/554222006.db2.gz JZJAFWOKCTYFMF-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343453 554222002 /nfs/dbraw/zinc/22/20/02/554222002.db2.gz JZJAFWOKCTYFMF-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343455 554221986 /nfs/dbraw/zinc/22/19/86/554221986.db2.gz JZJAFWOKCTYFMF-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343455 554221984 /nfs/dbraw/zinc/22/19/84/554221984.db2.gz JZJAFWOKCTYFMF-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344174 554222756 /nfs/dbraw/zinc/22/27/56/554222756.db2.gz AKCVVEAEJCOLQX-NDEPHWFRSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344175 554222654 /nfs/dbraw/zinc/22/26/54/554222654.db2.gz AKCVVEAEJCOLQX-MUUNZHRXSA-N 1 1 516.617 4.338 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344214 554222687 /nfs/dbraw/zinc/22/26/87/554222687.db2.gz WFNQWLXADSDNHK-GJZUVCINSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344214 554222684 /nfs/dbraw/zinc/22/26/84/554222684.db2.gz WFNQWLXADSDNHK-GJZUVCINSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344215 554222632 /nfs/dbraw/zinc/22/26/32/554222632.db2.gz WFNQWLXADSDNHK-NVQXNPDNSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344215 554222628 /nfs/dbraw/zinc/22/26/28/554222628.db2.gz WFNQWLXADSDNHK-NVQXNPDNSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344238 554223014 /nfs/dbraw/zinc/22/30/14/554223014.db2.gz FWXLALUKGMQUJI-KOSHJBKYSA-N 1 1 514.022 4.310 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344238 554223011 /nfs/dbraw/zinc/22/30/11/554223011.db2.gz FWXLALUKGMQUJI-KOSHJBKYSA-N 1 1 514.022 4.310 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344239 554223023 /nfs/dbraw/zinc/22/30/23/554223023.db2.gz FWXLALUKGMQUJI-UUOWRZLLSA-N 1 1 514.022 4.310 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344239 554223020 /nfs/dbraw/zinc/22/30/20/554223020.db2.gz FWXLALUKGMQUJI-UUOWRZLLSA-N 1 1 514.022 4.310 50 0 KIAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344385 554223039 /nfs/dbraw/zinc/22/30/39/554223039.db2.gz UVKKCMVHJMUFAR-NDEPHWFRSA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344386 554223105 /nfs/dbraw/zinc/22/31/05/554223105.db2.gz UVKKCMVHJMUFAR-MUUNZHRXSA-N 1 1 528.653 4.208 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344466 554222975 /nfs/dbraw/zinc/22/29/75/554222975.db2.gz XHDLEYXRQBELSB-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344466 554222972 /nfs/dbraw/zinc/22/29/72/554222972.db2.gz XHDLEYXRQBELSB-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344467 554223118 /nfs/dbraw/zinc/22/31/18/554223118.db2.gz XHDLEYXRQBELSB-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344467 554223115 /nfs/dbraw/zinc/22/31/15/554223115.db2.gz XHDLEYXRQBELSB-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344492 554223389 /nfs/dbraw/zinc/22/33/89/554223389.db2.gz UCLFMELNJUFMTI-NDEPHWFRSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344493 554223452 /nfs/dbraw/zinc/22/34/52/554223452.db2.gz UCLFMELNJUFMTI-MUUNZHRXSA-N 1 1 516.617 4.338 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3OC)C2)cc1OC ZINC000036345301 554223446 /nfs/dbraw/zinc/22/34/46/554223446.db2.gz WQBASZUVYZFFCR-MHZLTWQESA-N 1 1 528.653 4.208 50 0 KIAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000036345302 554223324 /nfs/dbraw/zinc/22/33/24/554223324.db2.gz WQBASZUVYZFFCR-HHHXNRCGSA-N 1 1 528.653 4.208 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036345609 554223691 /nfs/dbraw/zinc/22/36/91/554223691.db2.gz YLTGIVWSNGCWIB-SANMLTNESA-N 1 1 500.574 4.050 50 0 KIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036345610 554223654 /nfs/dbraw/zinc/22/36/54/554223654.db2.gz YLTGIVWSNGCWIB-AREMUKBSSA-N 1 1 500.574 4.050 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345791 554223582 /nfs/dbraw/zinc/22/35/82/554223582.db2.gz CZZTWJLDTYKZIE-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345791 554223579 /nfs/dbraw/zinc/22/35/79/554223579.db2.gz CZZTWJLDTYKZIE-RLWLMLJZSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345792 554223607 /nfs/dbraw/zinc/22/36/07/554223607.db2.gz CZZTWJLDTYKZIE-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)C1 ZINC000036345792 554223604 /nfs/dbraw/zinc/22/36/04/554223604.db2.gz CZZTWJLDTYKZIE-LVXARBLLSA-N 1 1 507.631 4.273 50 0 KIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000037006610 554230796 /nfs/dbraw/zinc/23/07/96/554230796.db2.gz SSUMQGHCOWKZDT-WPHQEQLXSA-N 1 1 530.669 4.269 50 0 KIAAMO Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000037263800 554231339 /nfs/dbraw/zinc/23/13/39/554231339.db2.gz NXPZBBSGFSEGLE-UHFFFAOYSA-N 1 1 513.436 4.215 50 0 KIAAMO CC[C@@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000037263818 554231391 /nfs/dbraw/zinc/23/13/91/554231391.db2.gz OOBKJDODOSMLIH-JOCHJYFZSA-N 1 1 505.663 4.139 50 0 KIAAMO CC[C@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000037263819 554231221 /nfs/dbraw/zinc/23/12/21/554231221.db2.gz OOBKJDODOSMLIH-QFIPXVFZSA-N 1 1 505.663 4.139 50 0 KIAAMO O=C(COc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000037380448 554237559 /nfs/dbraw/zinc/23/75/59/554237559.db2.gz DIERKNVMFNGHKD-UHFFFAOYSA-N 1 1 519.429 4.216 50 0 KIAAMO O=C(c1cccc(F)c1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000037381048 554237679 /nfs/dbraw/zinc/23/76/79/554237679.db2.gz AOJLUPDBVACIOM-UHFFFAOYSA-N 1 1 506.500 4.302 50 0 KIAAMO Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000037382060 554237946 /nfs/dbraw/zinc/23/79/46/554237946.db2.gz CRBQKZIRFDICLA-UHFFFAOYSA-N 1 1 502.537 4.471 50 0 KIAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)NCc1ccco1 ZINC000037384524 554238542 /nfs/dbraw/zinc/23/85/42/554238542.db2.gz JJDPBNHNXGEXRZ-UHFFFAOYSA-N 1 1 505.644 4.187 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3ccccc3OC)cc2)CC1 ZINC000037398077 554240268 /nfs/dbraw/zinc/24/02/68/554240268.db2.gz JBMSTVUSOVJQAO-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3ccc(OC)cc3)cc2)CC1 ZINC000037398515 554240891 /nfs/dbraw/zinc/24/08/91/554240891.db2.gz CKSVHRMQEXMXKW-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO COc1ccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2-c2ccncc2)cc1 ZINC000037398714 554240814 /nfs/dbraw/zinc/24/08/14/554240814.db2.gz MPJOSOVSQAEMOZ-UHFFFAOYSA-N 1 1 500.628 4.018 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000037427979 554247623 /nfs/dbraw/zinc/24/76/23/554247623.db2.gz ITVUMAGPLJAVMV-JVCXMKTPSA-N 1 1 516.589 4.444 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3ccs/c3=N\C(=O)c3ccc(Cl)cc3Cl)c2)CC1 ZINC000037436186 554247814 /nfs/dbraw/zinc/24/78/14/554247814.db2.gz LWJKLWLWQGKHTQ-PNHLSOANSA-N 1 1 503.455 4.424 50 0 KIAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2csc(Nc3ccccc3OC)n2)CC1 ZINC000037437801 554248155 /nfs/dbraw/zinc/24/81/55/554248155.db2.gz UERMDXDVYQVGBX-UHFFFAOYSA-N 1 1 507.660 4.092 50 0 KIAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000037588026 554253225 /nfs/dbraw/zinc/25/32/25/554253225.db2.gz DFJDQVGBKWJRSM-UHFFFAOYSA-N 1 1 528.602 4.432 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000038139847 554261676 /nfs/dbraw/zinc/26/16/76/554261676.db2.gz BCNPFDVOGKEMCX-UHFFFAOYSA-N 1 1 541.530 4.234 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000038139847 554261673 /nfs/dbraw/zinc/26/16/73/554261673.db2.gz BCNPFDVOGKEMCX-UHFFFAOYSA-N 1 1 541.530 4.234 50 0 KIAAMO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCCC[NH+]3CCOCC3)C(=O)N21 ZINC000038139953 554261932 /nfs/dbraw/zinc/26/19/32/554261932.db2.gz YFPLUTJZUXLEEA-IGYGKHONSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCCC[NH+]3CCOCC3)C(=O)N21 ZINC000038139954 554261894 /nfs/dbraw/zinc/26/18/94/554261894.db2.gz YFPLUTJZUXLEEA-SMCANUKXSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000038140005 554262544 /nfs/dbraw/zinc/26/25/44/554262544.db2.gz RPJCNPVTJKMYEB-JDXGNMNLSA-N 1 1 581.648 4.242 50 0 biogenic KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000038140007 554262527 /nfs/dbraw/zinc/26/25/27/554262527.db2.gz RPJCNPVTJKMYEB-MFMCTBQISA-N 1 1 581.648 4.242 50 0 biogenic KIAAMO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCC[NH+]4CCOCC4)C(=O)N32)c1 ZINC000038140043 554262449 /nfs/dbraw/zinc/26/24/49/554262449.db2.gz GRTQHWQVNIGNKX-IGYGKHONSA-N 1 1 593.684 4.112 50 0 biogenic KIAAMO COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCC[NH+]4CCOCC4)C(=O)N32)c1 ZINC000038140044 554262573 /nfs/dbraw/zinc/26/25/73/554262573.db2.gz GRTQHWQVNIGNKX-SMCANUKXSA-N 1 1 593.684 4.112 50 0 biogenic KIAAMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140047 554262467 /nfs/dbraw/zinc/26/24/67/554262467.db2.gz AEEUCCIYTLQIKG-IGYGKHONSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000038140048 554262461 /nfs/dbraw/zinc/26/24/61/554262461.db2.gz AEEUCCIYTLQIKG-SMCANUKXSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)[NH+](C)C ZINC000038140437 554263678 /nfs/dbraw/zinc/26/36/78/554263678.db2.gz ZXJHSDKVFBMARK-QFIPXVFZSA-N 1 1 532.460 4.291 50 0 KIAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)[NH+](C)C ZINC000038140438 554263636 /nfs/dbraw/zinc/26/36/36/554263636.db2.gz ZXJHSDKVFBMARK-JOCHJYFZSA-N 1 1 532.460 4.291 50 0 KIAAMO CCn1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000038146793 554269896 /nfs/dbraw/zinc/26/98/96/554269896.db2.gz QTDCNYXUXCZJJR-SZPZYZBQSA-N 1 1 544.762 4.072 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O ZINC000038146808 554269796 /nfs/dbraw/zinc/26/97/96/554269796.db2.gz CNGCUQBKKDGTFI-QNGWXLTQSA-N 1 1 538.069 4.119 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000038146809 554269793 /nfs/dbraw/zinc/26/97/93/554269793.db2.gz CNGCUQBKKDGTFI-DIPNUNPCSA-N 1 1 538.069 4.119 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000038150041 554271281 /nfs/dbraw/zinc/27/12/81/554271281.db2.gz AMBFKEODWGUWFV-QNGWXLTQSA-N 1 1 538.069 4.119 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150042 554271215 /nfs/dbraw/zinc/27/12/15/554271215.db2.gz AMBFKEODWGUWFV-DIPNUNPCSA-N 1 1 538.069 4.119 50 0 KIAAMO O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038152343 554272505 /nfs/dbraw/zinc/27/25/05/554272505.db2.gz ZRDLJZHUSBWUSB-UHFFFAOYSA-N 1 1 531.600 4.308 50 0 KIAAMO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038152362 554272529 /nfs/dbraw/zinc/27/25/29/554272529.db2.gz GHQCSTIIFRLPNW-MHZLTWQESA-N 1 1 537.751 4.329 50 0 KIAAMO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038152363 554272876 /nfs/dbraw/zinc/27/28/76/554272876.db2.gz GHQCSTIIFRLPNW-HHHXNRCGSA-N 1 1 537.751 4.329 50 0 KIAAMO COc1ccccc1COC[C@H]1C[N@H+]([C@H](C)[C@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556050 554287366 /nfs/dbraw/zinc/28/73/66/554287366.db2.gz IIQBIPLUGYXCJX-HZRDQOKSSA-N 1 1 537.653 4.334 50 0 KIAAMO COc1ccccc1COC[C@H]1C[N@@H+]([C@H](C)[C@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556050 554287363 /nfs/dbraw/zinc/28/73/63/554287363.db2.gz IIQBIPLUGYXCJX-HZRDQOKSSA-N 1 1 537.653 4.334 50 0 KIAAMO COc1ccccc1COC[C@H]1C[N@H+]([C@H](C)[C@@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556052 554287399 /nfs/dbraw/zinc/28/73/99/554287399.db2.gz IIQBIPLUGYXCJX-JZJGJFRJSA-N 1 1 537.653 4.334 50 0 KIAAMO COc1ccccc1COC[C@H]1C[N@@H+]([C@H](C)[C@@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556052 554287394 /nfs/dbraw/zinc/28/73/94/554287394.db2.gz IIQBIPLUGYXCJX-JZJGJFRJSA-N 1 1 537.653 4.334 50 0 KIAAMO COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CC[N@@H+](C)C3)c2)cc1OC ZINC000042881303 554297171 /nfs/dbraw/zinc/29/71/71/554297171.db2.gz KQCZCINJGIRLCD-CYBMUJFWSA-N 1 1 505.818 4.003 50 0 in-vitro KIAAMO COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CC[N@H+](C)C3)c2)cc1OC ZINC000042881303 554297168 /nfs/dbraw/zinc/29/71/68/554297168.db2.gz KQCZCINJGIRLCD-CYBMUJFWSA-N 1 1 505.818 4.003 50 0 in-vitro KIAAMO COc1ccccc1C[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)CCCC2 ZINC000053356542 554344915 /nfs/dbraw/zinc/34/49/15/554344915.db2.gz CMJITTZSDNZNPF-UHFFFAOYSA-N 1 1 559.692 4.414 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(-c1ccc(F)cc1)c2=O ZINC000053371360 554347657 /nfs/dbraw/zinc/34/76/57/554347657.db2.gz JHVLKGRLMCPIRO-UHFFFAOYSA-N 1 1 550.631 4.408 50 0 KIAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)n1 ZINC000055041963 554349804 /nfs/dbraw/zinc/34/98/04/554349804.db2.gz IWOCVKNFZWSUAC-ZYBMPSBHSA-N 1 1 500.112 4.072 50 0 KIAAMO Cc1cc(C)n(CC(=O)N2CCC[C@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)n1 ZINC000055282673 554350573 /nfs/dbraw/zinc/35/05/73/554350573.db2.gz GLXZDZHNYQWDSW-SANMLTNESA-N 1 1 519.665 4.279 50 0 KIAAMO Cc1cc(C)n(CC(=O)N2CCC[C@@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)n1 ZINC000055282680 554350559 /nfs/dbraw/zinc/35/05/59/554350559.db2.gz GLXZDZHNYQWDSW-AREMUKBSSA-N 1 1 519.665 4.279 50 0 KIAAMO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057111205 554352452 /nfs/dbraw/zinc/35/24/52/554352452.db2.gz MDJCXCAZNFLMLT-WLGONLEPSA-N 1 1 501.945 4.494 50 0 KIAAMO O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000057111205 554352449 /nfs/dbraw/zinc/35/24/49/554352449.db2.gz MDJCXCAZNFLMLT-WLGONLEPSA-N 1 1 501.945 4.494 50 0 KIAAMO C[N@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000057122024 554352799 /nfs/dbraw/zinc/35/27/99/554352799.db2.gz MPKAMOVOVCXYNH-DEOSSOPVSA-N 1 1 500.986 4.203 50 0 KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057122029 554352736 /nfs/dbraw/zinc/35/27/36/554352736.db2.gz GPMILASLXAYRTN-KDLQGFRMSA-N 1 1 507.590 4.408 50 0 biogenic KIAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057128766 554352652 /nfs/dbraw/zinc/35/26/52/554352652.db2.gz TXAPGBAUFDPOSG-CBVMVLCFSA-N 1 1 507.590 4.408 50 0 biogenic KIAAMO CCOC(=O)C1=C(C)Oc2nc(N(C)C)nc(N3CC[NH+](Cc4ccccc4)CC3)c2[C@@H]1c1ccccc1OC ZINC000059075383 554371842 /nfs/dbraw/zinc/37/18/42/554371842.db2.gz FZOKDTAYPRNBJM-AREMUKBSSA-N 1 1 543.668 4.235 50 0 KIAAMO CCOC(=O)C1=C(C)Oc2nc(N(C)C)nc(N3CC[NH+](Cc4ccccc4)CC3)c2[C@H]1c1ccccc1OC ZINC000059075386 554371801 /nfs/dbraw/zinc/37/18/01/554371801.db2.gz FZOKDTAYPRNBJM-SANMLTNESA-N 1 1 543.668 4.235 50 0 KIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000059485835 554397770 /nfs/dbraw/zinc/39/77/70/554397770.db2.gz YLPLKGFSBMGTKB-OMICENBGSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000059485835 554397766 /nfs/dbraw/zinc/39/77/66/554397766.db2.gz YLPLKGFSBMGTKB-OMICENBGSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2OC)[C@@]12c1ccccc1NC2=O ZINC000059485880 554398132 /nfs/dbraw/zinc/39/81/32/554398132.db2.gz FGPMHVIIECBBJC-CBVMVLCFSA-N 1 1 507.590 4.272 50 0 biogenic KIAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487372 554398114 /nfs/dbraw/zinc/39/81/14/554398114.db2.gz GCRJVSFFGWCWGD-GLKSXAEWSA-N 1 1 507.590 4.490 50 0 biogenic KIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487373 554398218 /nfs/dbraw/zinc/39/82/18/554398218.db2.gz ASTZMCSPNGKYIN-NZWZHHCMSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO CN1CC[NH+](CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515132 554402485 /nfs/dbraw/zinc/40/24/85/554402485.db2.gz IKKDPHXMIMKVJC-JOCHJYFZSA-N 1 1 578.964 4.071 50 0 KIAAMO CN1CC[NH+](CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515133 554402526 /nfs/dbraw/zinc/40/25/26/554402526.db2.gz IKKDPHXMIMKVJC-QFIPXVFZSA-N 1 1 578.964 4.071 50 0 KIAAMO Cn1c2ccccc2cc1[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2C(=O)N1C ZINC000059523187 554404663 /nfs/dbraw/zinc/40/46/63/554404663.db2.gz XYSLURXUBNVZJC-ROJLCIKYSA-N 1 1 549.719 4.413 50 0 KIAAMO Cn1c([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523191 554404614 /nfs/dbraw/zinc/40/46/14/554404614.db2.gz XYSLURXUBNVZJC-ZWXJPIIXSA-N 1 1 549.719 4.413 50 0 KIAAMO Cn1c([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523194 554404518 /nfs/dbraw/zinc/40/45/18/554404518.db2.gz XYSLURXUBNVZJC-AJQTZOPKSA-N 1 1 549.719 4.413 50 0 KIAAMO Cn1c([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523198 554404528 /nfs/dbraw/zinc/40/45/28/554404528.db2.gz XYSLURXUBNVZJC-ACHIHNKUSA-N 1 1 549.719 4.413 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000059549223 554407158 /nfs/dbraw/zinc/40/71/58/554407158.db2.gz MEPOIWXKHBPDAB-UHFFFAOYSA-N 1 1 502.059 4.418 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000059552349 554407118 /nfs/dbraw/zinc/40/71/18/554407118.db2.gz GOOOJSNDOGEFBD-UHFFFAOYSA-N 1 1 503.594 4.043 50 0 KIAAMO CC(=O)Nc1cccc(-c2nnc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2C)c1 ZINC000059595886 554408243 /nfs/dbraw/zinc/40/82/43/554408243.db2.gz QZGSQSFWFMAGGG-UHFFFAOYSA-N 1 1 540.693 4.466 50 0 KIAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1C ZINC000059612533 554412707 /nfs/dbraw/zinc/41/27/07/554412707.db2.gz BTJAOIYRUHQDNO-UHFFFAOYSA-N 1 1 547.721 4.338 50 0 KIAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)c1 ZINC000059616751 554413068 /nfs/dbraw/zinc/41/30/68/554413068.db2.gz YMUBZKOCGLXBAG-UHFFFAOYSA-N 1 1 563.720 4.038 50 0 KIAAMO COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000059807608 554430683 /nfs/dbraw/zinc/43/06/83/554430683.db2.gz NMHUDCOGYBAHCI-IXCJQBJRSA-N 1 1 514.601 4.326 50 0 biogenic KIAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000059807609 554430756 /nfs/dbraw/zinc/43/07/56/554430756.db2.gz NMHUDCOGYBAHCI-IAPPQJPRSA-N 1 1 514.601 4.326 50 0 biogenic KIAAMO COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000059807611 554430654 /nfs/dbraw/zinc/43/06/54/554430654.db2.gz NMHUDCOGYBAHCI-XTEPFMGCSA-N 1 1 514.601 4.326 50 0 biogenic KIAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000059807613 554430729 /nfs/dbraw/zinc/43/07/29/554430729.db2.gz NMHUDCOGYBAHCI-XCZPVHLTSA-N 1 1 514.601 4.326 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2)[C@@]12c1ccccc1NC2=O ZINC000061997753 554506096 /nfs/dbraw/zinc/50/60/96/554506096.db2.gz NMUVGINWDKQGNT-GLKSXAEWSA-N 1 1 507.590 4.272 50 0 biogenic KIAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061997767 554506085 /nfs/dbraw/zinc/50/60/85/554506085.db2.gz OTMKRMZIMHXSDG-NZWZHHCMSA-N 1 1 507.590 4.272 50 0 biogenic KIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000061999304 554506050 /nfs/dbraw/zinc/50/60/50/554506050.db2.gz XPWNEMQDAUIINP-BYSIJJKSSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000061999304 554506048 /nfs/dbraw/zinc/50/60/48/554506048.db2.gz XPWNEMQDAUIINP-BYSIJJKSSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061999324 554506044 /nfs/dbraw/zinc/50/60/44/554506044.db2.gz ZSFXZMHORCNDAR-OMICENBGSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061999324 554506042 /nfs/dbraw/zinc/50/60/42/554506042.db2.gz ZSFXZMHORCNDAR-OMICENBGSA-N 1 1 513.981 4.363 50 0 biogenic KIAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999337 554506119 /nfs/dbraw/zinc/50/61/19/554506119.db2.gz IENFCJWKWCGXOO-KDLQGFRMSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061999338 554506114 /nfs/dbraw/zinc/50/61/14/554506114.db2.gz VKXHDGXYEZBTOB-GLKSXAEWSA-N 1 1 507.590 4.272 50 0 biogenic KIAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999347 554506054 /nfs/dbraw/zinc/50/60/54/554506054.db2.gz IYLQWKSJFNCKQD-KDLQGFRMSA-N 1 1 507.590 4.327 50 0 biogenic KIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000063433741 554508911 /nfs/dbraw/zinc/50/89/11/554508911.db2.gz TWVRDDHCERJDGQ-IZLXSDGUSA-N 1 1 515.057 4.115 50 0 KIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000063433743 554508864 /nfs/dbraw/zinc/50/88/64/554508864.db2.gz TWVRDDHCERJDGQ-VSGBNLITSA-N 1 1 515.057 4.115 50 0 KIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000063433745 554508857 /nfs/dbraw/zinc/50/88/57/554508857.db2.gz TWVRDDHCERJDGQ-NSOVKSMOSA-N 1 1 515.057 4.115 50 0 KIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000063433747 554508931 /nfs/dbraw/zinc/50/89/31/554508931.db2.gz TWVRDDHCERJDGQ-WUFINQPMSA-N 1 1 515.057 4.115 50 0 KIAAMO CC(C)Cn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000063448246 554508876 /nfs/dbraw/zinc/50/88/76/554508876.db2.gz JSTOTZQWLDHXND-UHFFFAOYSA-N 1 1 520.077 4.355 50 0 KIAAMO COc1ccc(-n2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1 ZINC000063547511 554509738 /nfs/dbraw/zinc/50/97/38/554509738.db2.gz OMTUFNGFQIWTTN-UHFFFAOYSA-N 1 1 517.029 4.205 50 0 KIAAMO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c2-n2cccc2)cc1 ZINC000063567322 554510164 /nfs/dbraw/zinc/51/01/64/554510164.db2.gz BZDBNRKSXDWOBX-UHFFFAOYSA-N 1 1 503.050 4.485 50 0 KIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000063567347 554509890 /nfs/dbraw/zinc/50/98/90/554509890.db2.gz GTWVBNWNKHLOQL-UHFFFAOYSA-N 1 1 507.013 4.316 50 0 KIAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000063567355 554510155 /nfs/dbraw/zinc/51/01/55/554510155.db2.gz FWRJRKNMITUDMP-UHFFFAOYSA-N 1 1 500.622 4.279 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000063584603 554509955 /nfs/dbraw/zinc/50/99/55/554509955.db2.gz DQBSVXXKXNYDLT-UHFFFAOYSA-N 1 1 502.059 4.418 50 0 KIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000063663850 554509981 /nfs/dbraw/zinc/50/99/81/554509981.db2.gz UHGOVGHALODGFH-SIBVEZHUSA-N 1 1 525.671 4.464 50 0 KIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000063663851 554509992 /nfs/dbraw/zinc/50/99/92/554509992.db2.gz UHGOVGHALODGFH-BCHFMIIMSA-N 1 1 525.671 4.464 50 0 KIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000063663852 554510000 /nfs/dbraw/zinc/51/00/00/554510000.db2.gz UHGOVGHALODGFH-AFMDSPMNSA-N 1 1 525.671 4.464 50 0 KIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000063663853 554510073 /nfs/dbraw/zinc/51/00/73/554510073.db2.gz UHGOVGHALODGFH-NIYFSFCBSA-N 1 1 525.671 4.464 50 0 KIAAMO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@H+]4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064703593 554514028 /nfs/dbraw/zinc/51/40/28/554514028.db2.gz JYISBSWTQPEPPW-GOSISDBHSA-N 1 1 513.712 4.104 50 0 KIAAMO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064703595 554513986 /nfs/dbraw/zinc/51/39/86/554513986.db2.gz JYISBSWTQPEPPW-SFHVURJKSA-N 1 1 513.712 4.104 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703937 554514395 /nfs/dbraw/zinc/51/43/95/554514395.db2.gz JSPZTSOIOLHIKR-QGZVFWFLSA-N 1 1 501.676 4.234 50 0 KIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703939 554514334 /nfs/dbraw/zinc/51/43/34/554514334.db2.gz JSPZTSOIOLHIKR-KRWDZBQOSA-N 1 1 501.676 4.234 50 0 KIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)C1 ZINC000064703947 554514348 /nfs/dbraw/zinc/51/43/48/554514348.db2.gz RGXNVRGWGWOYBP-GOSISDBHSA-N 1 1 515.703 4.482 50 0 KIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)C1 ZINC000064703949 554514242 /nfs/dbraw/zinc/51/42/42/554514242.db2.gz RGXNVRGWGWOYBP-SFHVURJKSA-N 1 1 515.703 4.482 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704278 554514896 /nfs/dbraw/zinc/51/48/96/554514896.db2.gz DHKNOQJOAXSHPW-QGZVFWFLSA-N 1 1 501.676 4.234 50 0 KIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704280 554514956 /nfs/dbraw/zinc/51/49/56/554514956.db2.gz DHKNOQJOAXSHPW-KRWDZBQOSA-N 1 1 501.676 4.234 50 0 KIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)C1 ZINC000064704288 554514890 /nfs/dbraw/zinc/51/48/90/554514890.db2.gz IOKXLZCQRKEZHT-GOSISDBHSA-N 1 1 515.703 4.482 50 0 KIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)C1 ZINC000064704290 554514927 /nfs/dbraw/zinc/51/49/27/554514927.db2.gz IOKXLZCQRKEZHT-SFHVURJKSA-N 1 1 515.703 4.482 50 0 KIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)C1 ZINC000064704316 554514876 /nfs/dbraw/zinc/51/48/76/554514876.db2.gz GNLISXKICVNDOA-HXUWFJFHSA-N 1 1 509.724 4.487 50 0 KIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)C1 ZINC000064704318 554514976 /nfs/dbraw/zinc/51/49/76/554514976.db2.gz GNLISXKICVNDOA-FQEVSTJZSA-N 1 1 509.724 4.487 50 0 KIAAMO CN(CC(=O)NCC[N@@H+](C)Cc1ccccc1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704451 554514983 /nfs/dbraw/zinc/51/49/83/554514983.db2.gz SGJUTKZRBLAMKS-UHFFFAOYSA-N 1 1 505.692 4.353 50 0 KIAAMO COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000064977942 554523362 /nfs/dbraw/zinc/52/33/62/554523362.db2.gz ABWOYYUNGIRKRT-UHFFFAOYSA-N 1 1 502.040 4.318 50 0 KIAAMO CCN(CC)S(=O)(=O)c1cc2c(cc1N1CC[NH+](Cc3ccccc3)CC1)Oc1ccccc1NC2=O ZINC000064986625 554523833 /nfs/dbraw/zinc/52/38/33/554523833.db2.gz RKGJAKCDWYXJKD-UHFFFAOYSA-N 1 1 520.655 4.397 50 0 KIAAMO CCN(C)S(=O)(=O)c1cc2c(cc1N1CC[NH+](Cc3ccccc3)CC1)Oc1ccccc1NC2=O ZINC000064986661 554523844 /nfs/dbraw/zinc/52/38/44/554523844.db2.gz SEFJZSXMPYNRGI-UHFFFAOYSA-N 1 1 506.628 4.007 50 0 KIAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCCC[NH+]5CCOCC5)CC4)ccc3o2)cc1 ZINC000065006013 554524361 /nfs/dbraw/zinc/52/43/61/554524361.db2.gz VVGNXXTTXLDWRV-JOCHJYFZSA-N 1 1 518.658 4.130 50 0 KIAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCCC[NH+]5CCOCC5)CC4)ccc3o2)cc1 ZINC000065006016 554524479 /nfs/dbraw/zinc/52/44/79/554524479.db2.gz VVGNXXTTXLDWRV-QFIPXVFZSA-N 1 1 518.658 4.130 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(C)c(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000065330863 554526253 /nfs/dbraw/zinc/52/62/53/554526253.db2.gz UVAYUZIHCRGOBM-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO CCn1c2c(C(=O)Nc3ccc(C)c(Cl)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000065330863 554526250 /nfs/dbraw/zinc/52/62/50/554526250.db2.gz UVAYUZIHCRGOBM-UHFFFAOYSA-N 1 1 506.006 4.297 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC1(Cc3ccc(OCc4ccccc4)cc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000070670228 553600928 /nfs/dbraw/zinc/60/09/28/553600928.db2.gz TYTYMACEYURKTQ-QFIPXVFZSA-N 1 1 571.674 4.481 50 0 biogenic KIAAMO COc1cc(CC2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 ZINC000070671756 553601439 /nfs/dbraw/zinc/60/14/39/553601439.db2.gz GVHJDNIENNIFTN-QFIPXVFZSA-N 1 1 601.700 4.490 50 0 biogenic KIAAMO COc1ccc(C[C@@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672054 553601478 /nfs/dbraw/zinc/60/14/78/553601478.db2.gz RPOCLRMLCJYPNM-PKHCJMHPSA-N 1 1 543.620 4.348 50 0 biogenic KIAAMO COc1ccc(C[C@@]2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672054 553601476 /nfs/dbraw/zinc/60/14/76/553601476.db2.gz RPOCLRMLCJYPNM-PKHCJMHPSA-N 1 1 543.620 4.348 50 0 biogenic KIAAMO COc1ccc(C[C@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672057 553601336 /nfs/dbraw/zinc/60/13/36/553601336.db2.gz RPOCLRMLCJYPNM-GEFUHLBYSA-N 1 1 543.620 4.348 50 0 biogenic KIAAMO COc1ccc(C[C@]2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000070672057 553601333 /nfs/dbraw/zinc/60/13/33/553601333.db2.gz RPOCLRMLCJYPNM-GEFUHLBYSA-N 1 1 543.620 4.348 50 0 biogenic KIAAMO COc1cc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000070672720 553602722 /nfs/dbraw/zinc/60/27/22/553602722.db2.gz KNDXFMROHBVEHB-UXQAWRDMSA-N 1 1 578.706 4.198 50 0 KIAAMO COc1cc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000070672722 553602778 /nfs/dbraw/zinc/60/27/78/553602778.db2.gz KNDXFMROHBVEHB-BIGJELTGSA-N 1 1 578.706 4.198 50 0 KIAAMO O=C(c1ccc(Br)cc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000070673821 553604131 /nfs/dbraw/zinc/60/41/31/553604131.db2.gz BBWUISVRDPZZLH-YRLQWRJRSA-N 1 1 528.406 4.464 50 0 biogenic KIAAMO COc1cc2c(c(OC)c1OC)-c1ccc(N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070697432 553612782 /nfs/dbraw/zinc/61/27/82/553612782.db2.gz VWFCOPDGPMAMRW-SANMLTNESA-N 1 1 543.664 4.185 50 0 biogenic KIAAMO COc1cccc(C(=O)C2[C@]3(C(=O)Nc4ccccc43)[C@H](Cc3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)c1 ZINC000070697437 553612826 /nfs/dbraw/zinc/61/28/26/553612826.db2.gz MWXJEMYIZXUMIN-SFMYBXFNSA-N 1 1 529.596 4.446 50 0 biogenic KIAAMO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699493 553616176 /nfs/dbraw/zinc/61/61/76/553616176.db2.gz DWGVEKIJIURHDU-KDLQGFRMSA-N 1 1 523.589 4.027 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070699621 553616515 /nfs/dbraw/zinc/61/65/15/553616515.db2.gz ORRRQSVEYRCVDW-CBVMVLCFSA-N 1 1 523.589 4.027 50 0 biogenic KIAAMO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCC[NH+]4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070699818 553617164 /nfs/dbraw/zinc/61/71/64/553617164.db2.gz GMKKXPVXUKEOFA-JQJBXXCASA-N 1 1 574.722 4.109 50 0 biogenic KIAAMO CCCOc1ccc([C@H]2CN3C(=O)CN(CCC[NH+]4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070699820 553617108 /nfs/dbraw/zinc/61/71/08/553617108.db2.gz GMKKXPVXUKEOFA-HPMVVLTCSA-N 1 1 574.722 4.109 50 0 biogenic KIAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000070700364 553618197 /nfs/dbraw/zinc/61/81/97/553618197.db2.gz SIUOYTKNFZJECV-JZMUPVMCSA-N 1 1 521.573 4.047 50 0 biogenic KIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070700397 553618651 /nfs/dbraw/zinc/61/86/51/553618651.db2.gz IXBFWHJXBYFWJA-ICLZWAOKSA-N 1 1 527.964 4.083 50 0 biogenic KIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070700397 553618647 /nfs/dbraw/zinc/61/86/47/553618647.db2.gz IXBFWHJXBYFWJA-ICLZWAOKSA-N 1 1 527.964 4.083 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000070700782 553619417 /nfs/dbraw/zinc/61/94/17/553619417.db2.gz CCIIJTFYTVPCNO-JDPWCRRISA-N 1 1 537.616 4.335 50 0 biogenic KIAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070700960 553619939 /nfs/dbraw/zinc/61/99/39/553619939.db2.gz CLNDGPCBHSTQAI-IHAJHMTMSA-N 1 1 537.616 4.335 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2OC)[C@@]12c1ccccc1NC2=O ZINC000070701068 553620510 /nfs/dbraw/zinc/62/05/10/553620510.db2.gz YZPBMSIWXFOMES-LZEYHBPHSA-N 1 1 537.616 4.281 50 0 biogenic KIAAMO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701139 553620953 /nfs/dbraw/zinc/62/09/53/553620953.db2.gz JRWJDJJVEJEJCL-IHAJHMTMSA-N 1 1 537.616 4.335 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070701413 553621655 /nfs/dbraw/zinc/62/16/55/553621655.db2.gz OOOYCSXLQOMGDV-NEYZWBGCSA-N 1 1 537.616 4.281 50 0 biogenic KIAAMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4)C(=O)N32)cc1 ZINC000070704732 553623531 /nfs/dbraw/zinc/62/35/31/553623531.db2.gz OVEOJRTWVBTPLD-IGYGKHONSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4)C(=O)N32)cc1 ZINC000070704734 553623499 /nfs/dbraw/zinc/62/34/99/553623499.db2.gz OVEOJRTWVBTPLD-SMCANUKXSA-N 1 1 577.685 4.411 50 0 biogenic KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000070705862 553626671 /nfs/dbraw/zinc/62/66/71/553626671.db2.gz RXSKIVQIACDYMW-MFMCTBQISA-N 1 1 563.658 4.103 50 0 biogenic KIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000070705865 553626649 /nfs/dbraw/zinc/62/66/49/553626649.db2.gz RXSKIVQIACDYMW-JDXGNMNLSA-N 1 1 563.658 4.103 50 0 biogenic KIAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070706992 553629667 /nfs/dbraw/zinc/62/96/67/553629667.db2.gz UTQFEYHQIFMLLP-GIHVEBPHSA-N 1 1 567.642 4.289 50 0 biogenic KIAAMO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707142 553629962 /nfs/dbraw/zinc/62/99/62/553629962.db2.gz JBILRVCKKHTDRO-IGYGKHONSA-N 1 1 593.684 4.112 50 0 biogenic KIAAMO COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707144 553629951 /nfs/dbraw/zinc/62/99/51/553629951.db2.gz JBILRVCKKHTDRO-SMCANUKXSA-N 1 1 593.684 4.112 50 0 biogenic KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070707263 553630441 /nfs/dbraw/zinc/63/04/41/553630441.db2.gz YAONODVEIISWDZ-VTQDICDJSA-N 1 1 567.642 4.289 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000070712254 553633629 /nfs/dbraw/zinc/63/36/29/553633629.db2.gz PGHXZSKOGTYJIY-YZBPACDBSA-N 1 1 518.617 4.383 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000070712257 553633606 /nfs/dbraw/zinc/63/36/06/553633606.db2.gz PGHXZSKOGTYJIY-RXWXGCHASA-N 1 1 518.617 4.383 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000070712259 553633727 /nfs/dbraw/zinc/63/37/27/553633727.db2.gz PGHXZSKOGTYJIY-DXHIYDNGSA-N 1 1 518.617 4.383 50 0 biogenic KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000070712260 553633614 /nfs/dbraw/zinc/63/36/14/553633614.db2.gz PGHXZSKOGTYJIY-HICLHYEGSA-N 1 1 518.617 4.383 50 0 biogenic KIAAMO CCc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712306 553633941 /nfs/dbraw/zinc/63/39/41/553633941.db2.gz VAJGBRVCDUWFNJ-YZBPACDBSA-N 1 1 518.617 4.329 50 0 biogenic KIAAMO CCc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712308 553633908 /nfs/dbraw/zinc/63/39/08/553633908.db2.gz VAJGBRVCDUWFNJ-RXWXGCHASA-N 1 1 518.617 4.329 50 0 biogenic KIAAMO CCc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712310 553634071 /nfs/dbraw/zinc/63/40/71/553634071.db2.gz VAJGBRVCDUWFNJ-DXHIYDNGSA-N 1 1 518.617 4.329 50 0 biogenic KIAAMO CCc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712312 553634042 /nfs/dbraw/zinc/63/40/42/553634042.db2.gz VAJGBRVCDUWFNJ-HICLHYEGSA-N 1 1 518.617 4.329 50 0 biogenic KIAAMO C[N@H+]1CCN2c3cc(Cl)ccc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000071405527 553636169 /nfs/dbraw/zinc/63/61/69/553636169.db2.gz MLBXHRZIZHEFJP-DEOSSOPVSA-N 1 1 500.986 4.203 50 0 KIAAMO Cc1cnc(Nc2ccc(C[NH+]3CCOCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000072232829 553646230 /nfs/dbraw/zinc/64/62/30/553646230.db2.gz MMXZBJJTHQWMEN-UHFFFAOYSA-N 1 1 510.664 4.181 50 0 KIAAMO COc1ccc(-c2cc3ccc(OCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)cc3oc2=O)cc1OC ZINC000079189594 553667286 /nfs/dbraw/zinc/66/72/86/553667286.db2.gz TUDBWEVHOGMPQP-XUZZJYLKSA-N 1 1 506.599 4.237 50 0 biogenic KIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccc(OC)c4)n3[C@@H](C)COC)cc2)CC1 ZINC000085410564 553680708 /nfs/dbraw/zinc/68/07/08/553680708.db2.gz QPCLGPWDTRDNGY-FQEVSTJZSA-N 1 1 509.676 4.231 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccc(OC)c4)n3[C@H](C)COC)cc2)CC1 ZINC000085410567 553680673 /nfs/dbraw/zinc/68/06/73/553680673.db2.gz QPCLGPWDTRDNGY-HXUWFJFHSA-N 1 1 509.676 4.231 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)CC1 ZINC000085424802 553681689 /nfs/dbraw/zinc/68/16/89/553681689.db2.gz RQUOHXPZJFNNGS-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000091998092 553695248 /nfs/dbraw/zinc/69/52/48/553695248.db2.gz VSRTUVSDRRMHNY-UHFFFAOYSA-N 1 1 520.120 4.419 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000095471350 553701478 /nfs/dbraw/zinc/70/14/78/553701478.db2.gz DWSDQLORCCXDMZ-SFOWLQBLSA-N 1 1 525.008 4.338 50 0 KIAAMO O=C(CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000096021882 553718132 /nfs/dbraw/zinc/71/81/32/553718132.db2.gz CYWPFEAHQWYGRR-UHFFFAOYSA-N 1 1 540.740 4.100 50 0 KIAAMO COc1ccc(CCN(C)c2cc(C)nc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2)cc1OC ZINC000096279952 553736472 /nfs/dbraw/zinc/73/64/72/553736472.db2.gz DYUJZXRKNYRZBC-UHFFFAOYSA-N 1 1 535.714 4.161 50 0 KIAAMO CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](C)CC4)cc(C(C)(C)C)n3)cc2)CC1 ZINC000096280033 553736449 /nfs/dbraw/zinc/73/64/49/553736449.db2.gz QHOHLECNYRLUJN-UHFFFAOYSA-N 1 1 539.746 4.234 50 0 KIAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](C)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000096280142 553736868 /nfs/dbraw/zinc/73/68/68/553736868.db2.gz KYNCJVBSZSWARU-HSZRJFAPSA-N 1 1 539.746 4.234 50 0 KIAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](C)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000096280143 553736864 /nfs/dbraw/zinc/73/68/64/553736864.db2.gz KYNCJVBSZSWARU-QHCPKHFHSA-N 1 1 539.746 4.234 50 0 KIAAMO COc1ccc(-n2c(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2-c2ccncc2)cc1 ZINC000096287263 553738082 /nfs/dbraw/zinc/73/80/82/553738082.db2.gz LGWICCBYBWBEMX-UHFFFAOYSA-N 1 1 500.628 4.018 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccccc2OC)CC1 ZINC000096288772 553740850 /nfs/dbraw/zinc/74/08/50/553740850.db2.gz URBCQKZPBLEDRN-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2ccccc2OC)CC1 ZINC000096289897 553742589 /nfs/dbraw/zinc/74/25/89/553742589.db2.gz YFGHAVXVNBYKFO-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO COc1ccccc1-n1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1cccnc1 ZINC000096289911 553742514 /nfs/dbraw/zinc/74/25/14/553742514.db2.gz VWLHNYFAITVUFH-UHFFFAOYSA-N 1 1 500.628 4.018 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccccc3Cl)n2CCOC)CC1 ZINC000096290052 553742871 /nfs/dbraw/zinc/74/28/71/553742871.db2.gz SUNXMMZWFLCBIL-UHFFFAOYSA-N 1 1 500.068 4.315 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccccc4Cl)n3CCOC)cc2)CC1 ZINC000096290674 553743888 /nfs/dbraw/zinc/74/38/88/553743888.db2.gz IFDNTHIMOXQAQM-UHFFFAOYSA-N 1 1 500.068 4.315 50 0 KIAAMO COC[C@H](C)n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1ccccc1Cl ZINC000096290886 553744189 /nfs/dbraw/zinc/74/41/89/553744189.db2.gz BFMQRLWRQJAKIW-SFHVURJKSA-N 1 1 500.068 4.486 50 0 KIAAMO COC[C@@H](C)n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1ccccc1Cl ZINC000096290887 553744168 /nfs/dbraw/zinc/74/41/68/553744168.db2.gz BFMQRLWRQJAKIW-GOSISDBHSA-N 1 1 500.068 4.486 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccc(OC)c3)n2[C@@H](C)COC)CC1 ZINC000096290915 553744233 /nfs/dbraw/zinc/74/42/33/553744233.db2.gz LVKVFXCOPXVLAG-FQEVSTJZSA-N 1 1 509.676 4.231 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccc(OC)c3)n2[C@H](C)COC)CC1 ZINC000096290916 553744202 /nfs/dbraw/zinc/74/42/02/553744202.db2.gz LVKVFXCOPXVLAG-HXUWFJFHSA-N 1 1 509.676 4.231 50 0 KIAAMO COc1ccccc1-n1c(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)nnc1-c1cccnc1 ZINC000096292335 553746248 /nfs/dbraw/zinc/74/62/48/553746248.db2.gz OGWPKLQRSWCEHH-UHFFFAOYSA-N 1 1 500.628 4.018 50 0 KIAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(Cc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097948689 553795836 /nfs/dbraw/zinc/79/58/36/553795836.db2.gz JDJUVJRZRUEENJ-UHFFFAOYSA-N 1 1 594.535 4.405 50 0 KIAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952563 553816675 /nfs/dbraw/zinc/81/66/75/553816675.db2.gz MLLVGZCVZLSMGO-UHFFFAOYSA-N 1 1 549.546 4.303 50 0 KIAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000097955520 553831033 /nfs/dbraw/zinc/83/10/33/553831033.db2.gz MOOUMSGXCDTQEC-RTHBMQBDSA-N 1 1 548.709 4.207 50 0 KIAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000097955521 553830943 /nfs/dbraw/zinc/83/09/43/553830943.db2.gz MOOUMSGXCDTQEC-BTUVCSFDSA-N 1 1 548.709 4.207 50 0 KIAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000097955970 553835472 /nfs/dbraw/zinc/83/54/72/553835472.db2.gz JCNAXYSVQIRZSJ-RMKNXTFCSA-N 1 1 600.789 4.055 50 0 KIAAMO Cc1nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956096 553836047 /nfs/dbraw/zinc/83/60/47/553836047.db2.gz SWKRCXWAIAFDLC-YRNVUSSQSA-N 1 1 586.806 4.283 50 0 KIAAMO CCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 ZINC000097956389 553838371 /nfs/dbraw/zinc/83/83/71/553838371.db2.gz GFVUPUQOGUORCU-JXMROGBWSA-N 1 1 574.751 4.064 50 0 KIAAMO CC(=O)Oc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1OC(C)=O ZINC000097957197 553845204 /nfs/dbraw/zinc/84/52/04/553845204.db2.gz WBXNVFUHIZAYDX-UHFFFAOYSA-N 1 1 568.626 4.428 50 0 KIAAMO CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000097957249 553845220 /nfs/dbraw/zinc/84/52/20/553845220.db2.gz MRGLWJKEHMEMHR-UHFFFAOYSA-N 1 1 568.626 4.428 50 0 KIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000097957488 553846416 /nfs/dbraw/zinc/84/64/16/553846416.db2.gz WOMDBBHKRFOVCJ-UHFFFAOYSA-N 1 1 538.695 4.007 50 0 KIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000097957488 553846412 /nfs/dbraw/zinc/84/64/12/553846412.db2.gz WOMDBBHKRFOVCJ-UHFFFAOYSA-N 1 1 538.695 4.007 50 0 KIAAMO O=S(=O)(c1ccc(Cl)c(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1)N1CCOCC1 ZINC000097981335 553993209 /nfs/dbraw/zinc/99/32/09/553993209.db2.gz UHGDGPXNYRWZRR-UHFFFAOYSA-N 1 1 571.168 4.465 50 0 KIAAMO Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)n1C ZINC000098008103 554065945 /nfs/dbraw/zinc/06/59/45/554065945.db2.gz FFAGLUHLDNRFDC-UHFFFAOYSA-N 1 1 540.089 4.320 50 0 KIAAMO O=C(COCc1ccccc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000098009785 554071035 /nfs/dbraw/zinc/07/10/35/554071035.db2.gz RNAIGWAAJNUOKF-UHFFFAOYSA-N 1 1 532.563 4.066 50 0 KIAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000098009803 554071493 /nfs/dbraw/zinc/07/14/93/554071493.db2.gz YYTUWOCQQNTKSQ-UHFFFAOYSA-N 1 1 572.685 4.297 50 0 KIAAMO CC[NH+]1CCN(C(=O)CCN(CCCN2CCOCC2)c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000098009848 554071662 /nfs/dbraw/zinc/07/16/62/554071662.db2.gz SJSVVOQIOUWPQM-UHFFFAOYSA-N 1 1 551.135 4.033 50 0 KIAAMO Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2=O)cc1 ZINC000098015439 554099252 /nfs/dbraw/zinc/09/92/52/554099252.db2.gz PEVORYAEIITBSA-UHFFFAOYSA-N 1 1 539.592 4.193 50 0 KIAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1cccc(Br)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017785 554110301 /nfs/dbraw/zinc/11/03/01/554110301.db2.gz ZHACFQFZVVIWHN-UHFFFAOYSA-N 1 1 554.485 4.436 50 0 KIAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000098017853 554110798 /nfs/dbraw/zinc/11/07/98/554110798.db2.gz FKYATIYYSCCLFL-UHFFFAOYSA-N 1 1 587.595 4.421 50 0 KIAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017899 554111179 /nfs/dbraw/zinc/11/11/79/554111179.db2.gz HUNPVANCZOCFKC-UHFFFAOYSA-N 1 1 554.485 4.436 50 0 KIAAMO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000098019720 554114198 /nfs/dbraw/zinc/11/41/98/554114198.db2.gz RMIPWZLGVOAIBI-UHFFFAOYSA-N 1 1 583.751 4.353 50 0 KIAAMO Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc(=O)n1CCC[NH+]1CCOCC1 ZINC000098042810 554122339 /nfs/dbraw/zinc/12/23/39/554122339.db2.gz WTGPXOJWHYXEOY-UHFFFAOYSA-N 1 1 611.099 4.026 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050164 554172587 /nfs/dbraw/zinc/17/25/87/554172587.db2.gz RKBBAQODQPYXAD-LOYHVIPDSA-N 1 1 544.671 4.069 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050165 554172611 /nfs/dbraw/zinc/17/26/11/554172611.db2.gz RKBBAQODQPYXAD-XZWHSSHBSA-N 1 1 544.671 4.069 50 0 KIAAMO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050166 554172620 /nfs/dbraw/zinc/17/26/20/554172620.db2.gz RKBBAQODQPYXAD-IHLOFXLRSA-N 1 1 544.671 4.069 50 0 KIAAMO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050167 554172631 /nfs/dbraw/zinc/17/26/31/554172631.db2.gz RKBBAQODQPYXAD-KYJUHHDHSA-N 1 1 544.671 4.069 50 0 KIAAMO COc1cc(OC)nc(CSc2ncc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2C)n1 ZINC000100001473 554177484 /nfs/dbraw/zinc/17/74/84/554177484.db2.gz VKRZMIFZQHFSMA-UHFFFAOYSA-N 1 1 544.681 4.067 50 0 KIAAMO CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@H]1Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000100054228 554195560 /nfs/dbraw/zinc/19/55/60/554195560.db2.gz ZSDCIRYNTCVTMF-FUFSCUOVSA-N 1 1 564.683 4.407 50 0 KIAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Br ZINC000100221085 554251814 /nfs/dbraw/zinc/25/18/14/554251814.db2.gz SMQLNYXQXDBQSA-UHFFFAOYSA-N 1 1 542.499 4.149 50 0 KIAAMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000100273857 554271003 /nfs/dbraw/zinc/27/10/03/554271003.db2.gz SWYQLRLWXRAQJA-UHFFFAOYSA-N 1 1 534.520 4.117 50 0 KIAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2c(F)cccc2Cl)cc1 ZINC000100274569 554271099 /nfs/dbraw/zinc/27/10/99/554271099.db2.gz AUZDJAIJXPAXKZ-UHFFFAOYSA-N 1 1 530.065 4.323 50 0 KIAAMO O=C(C[NH+](C[C@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000100583917 554425692 /nfs/dbraw/zinc/42/56/92/554425692.db2.gz QDEGNEAILUXMML-VMPREFPWSA-N 1 1 540.660 4.074 50 0 KIAAMO O=C(C[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000100583920 554425739 /nfs/dbraw/zinc/42/57/39/554425739.db2.gz QDEGNEAILUXMML-ISILISOKSA-N 1 1 540.660 4.074 50 0 KIAAMO O=C(C[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000100583920 554425734 /nfs/dbraw/zinc/42/57/34/554425734.db2.gz QDEGNEAILUXMML-ISILISOKSA-N 1 1 540.660 4.074 50 0 KIAAMO O=C(C[NH+](C[C@@H](O)COc1ccccc1)C[C@@H](O)COc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000100583925 554425776 /nfs/dbraw/zinc/42/57/76/554425776.db2.gz QDEGNEAILUXMML-FQLXRVMXSA-N 1 1 540.660 4.074 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000100726322 554456944 /nfs/dbraw/zinc/45/69/44/554456944.db2.gz LRCYPIDLOKGJCZ-CLCOLTQESA-N 1 1 538.442 4.319 50 0 KIAAMO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000100840757 554489150 /nfs/dbraw/zinc/48/91/50/554489150.db2.gz JGTCCXZVZZSIOJ-SANMLTNESA-N 1 1 576.719 4.199 50 0 KIAAMO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000100840758 554489223 /nfs/dbraw/zinc/48/92/23/554489223.db2.gz JGTCCXZVZZSIOJ-AREMUKBSSA-N 1 1 576.719 4.199 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000100852683 554493068 /nfs/dbraw/zinc/49/30/68/554493068.db2.gz XGWMSKMEYRVRKZ-QYOOZWMWSA-N 1 1 527.964 4.265 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000100852683 554493066 /nfs/dbraw/zinc/49/30/66/554493066.db2.gz XGWMSKMEYRVRKZ-QYOOZWMWSA-N 1 1 527.964 4.265 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000100852685 554493102 /nfs/dbraw/zinc/49/31/02/554493102.db2.gz XGWMSKMEYRVRKZ-QUMGSSFMSA-N 1 1 527.964 4.265 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000100852685 554493101 /nfs/dbraw/zinc/49/31/01/554493101.db2.gz XGWMSKMEYRVRKZ-QUMGSSFMSA-N 1 1 527.964 4.265 50 0 KIAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100857444 554493721 /nfs/dbraw/zinc/49/37/21/554493721.db2.gz DHKRHWZWPAELJD-QYOOZWMWSA-N 1 1 527.964 4.419 50 0 KIAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100857444 554493717 /nfs/dbraw/zinc/49/37/17/554493717.db2.gz DHKRHWZWPAELJD-QYOOZWMWSA-N 1 1 527.964 4.419 50 0 KIAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100857449 554493679 /nfs/dbraw/zinc/49/36/79/554493679.db2.gz DHKRHWZWPAELJD-QUMGSSFMSA-N 1 1 527.964 4.419 50 0 KIAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100857449 554493676 /nfs/dbraw/zinc/49/36/76/554493676.db2.gz DHKRHWZWPAELJD-QUMGSSFMSA-N 1 1 527.964 4.419 50 0 KIAAMO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)cc1 ZINC000100915534 554519714 /nfs/dbraw/zinc/51/97/14/554519714.db2.gz IEOKGBFWLDZRJF-MHZLTWQESA-N 1 1 571.740 4.487 50 0 KIAAMO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)cc1 ZINC000100915535 554519745 /nfs/dbraw/zinc/51/97/45/554519745.db2.gz IEOKGBFWLDZRJF-HHHXNRCGSA-N 1 1 571.740 4.487 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000100929340 554525806 /nfs/dbraw/zinc/52/58/06/554525806.db2.gz IVFLCIHJVZVREZ-RUZDIDTESA-N 1 1 562.692 4.165 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000100929343 554525820 /nfs/dbraw/zinc/52/58/20/554525820.db2.gz IVFLCIHJVZVREZ-VWLOTQADSA-N 1 1 562.692 4.165 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000100929596 554526140 /nfs/dbraw/zinc/52/61/40/554526140.db2.gz DRZWHMDNPOWGDH-RUZDIDTESA-N 1 1 578.735 4.454 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000100929597 554526129 /nfs/dbraw/zinc/52/61/29/554526129.db2.gz DRZWHMDNPOWGDH-VWLOTQADSA-N 1 1 578.735 4.454 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000100930026 554526522 /nfs/dbraw/zinc/52/65/22/554526522.db2.gz NAVLPILVIJQYSX-MUUNZHRXSA-N 1 1 578.735 4.454 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000100930029 554526544 /nfs/dbraw/zinc/52/65/44/554526544.db2.gz NAVLPILVIJQYSX-NDEPHWFRSA-N 1 1 578.735 4.454 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(I)c4)CC3)n2)cc1 ZINC000100956572 554539635 /nfs/dbraw/zinc/53/96/35/554539635.db2.gz FMXBWNFPNAVNEG-UHFFFAOYSA-N 1 1 529.382 4.104 50 0 KIAAMO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000100956843 554539601 /nfs/dbraw/zinc/53/96/01/554539601.db2.gz QEVOZZZFIPFNDH-UHFFFAOYSA-N 1 1 532.464 4.201 50 0 KIAAMO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccc(OC)cc3)cc(C)[nH+]2)CC1 ZINC000100956915 554539828 /nfs/dbraw/zinc/53/98/28/554539828.db2.gz JMMWSRCMPLUMBB-UHFFFAOYSA-N 1 1 562.490 4.209 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCC(O)CC1 ZINC000100961728 554542431 /nfs/dbraw/zinc/54/24/31/554542431.db2.gz GJIFROBKZKIHLE-RBJSKKJNSA-N 1 1 543.127 4.255 50 0 KIAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCC(O)CC1 ZINC000100961728 554542428 /nfs/dbraw/zinc/54/24/28/554542428.db2.gz GJIFROBKZKIHLE-RBJSKKJNSA-N 1 1 543.127 4.255 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000101081747 554579183 /nfs/dbraw/zinc/57/91/83/554579183.db2.gz GOXDFEZFBZSXEF-AREMUKBSSA-N 1 1 574.566 4.300 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000101081747 554579179 /nfs/dbraw/zinc/57/91/79/554579179.db2.gz GOXDFEZFBZSXEF-AREMUKBSSA-N 1 1 574.566 4.300 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000101081750 554579161 /nfs/dbraw/zinc/57/91/61/554579161.db2.gz GOXDFEZFBZSXEF-SANMLTNESA-N 1 1 574.566 4.300 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000101081750 554579158 /nfs/dbraw/zinc/57/91/58/554579158.db2.gz GOXDFEZFBZSXEF-SANMLTNESA-N 1 1 574.566 4.300 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4I)CC3)n2)cc1 ZINC000101104096 554639747 /nfs/dbraw/zinc/63/97/47/554639747.db2.gz LUTQZQUZASIAEA-UHFFFAOYSA-N 1 1 529.382 4.104 50 0 KIAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000101105064 554639964 /nfs/dbraw/zinc/63/99/64/554639964.db2.gz IWGUUFPIXKMTPA-RMTZWNOUSA-N 1 1 509.654 4.173 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)c(Br)c1 ZINC000101187096 554669691 /nfs/dbraw/zinc/66/96/91/554669691.db2.gz KOQRBVNXMFJRPO-UAKAABGRSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)c(Br)c1 ZINC000101187096 554669689 /nfs/dbraw/zinc/66/96/89/554669689.db2.gz KOQRBVNXMFJRPO-UAKAABGRSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCC(=O)Nc3ccc4nc(N5CCCCC5)cc(C)c4c3)CC2)c1 ZINC000101192451 554670874 /nfs/dbraw/zinc/67/08/74/554670874.db2.gz VVQOKDLLHDUSEH-UHFFFAOYSA-N 1 1 542.728 4.499 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000101192866 554671300 /nfs/dbraw/zinc/67/13/00/554671300.db2.gz OICBTJISYZXZDQ-LOYHVIPDSA-N 1 1 575.109 4.132 50 0 KIAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000101192868 554671364 /nfs/dbraw/zinc/67/13/64/554671364.db2.gz OICBTJISYZXZDQ-IHLOFXLRSA-N 1 1 575.109 4.132 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000101192869 554671330 /nfs/dbraw/zinc/67/13/30/554671330.db2.gz OICBTJISYZXZDQ-XZWHSSHBSA-N 1 1 575.109 4.132 50 0 KIAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000101192871 554671375 /nfs/dbraw/zinc/67/13/75/554671375.db2.gz OICBTJISYZXZDQ-KYJUHHDHSA-N 1 1 575.109 4.132 50 0 KIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000101192911 554671320 /nfs/dbraw/zinc/67/13/20/554671320.db2.gz ALMUYIRFABRZLY-CZNDPXEESA-N 1 1 579.745 4.419 50 0 KIAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000101192914 554671385 /nfs/dbraw/zinc/67/13/85/554671385.db2.gz ALMUYIRFABRZLY-SAIUNTKASA-N 1 1 579.745 4.419 50 0 KIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000101192917 554671346 /nfs/dbraw/zinc/67/13/46/554671346.db2.gz ALMUYIRFABRZLY-JHOUSYSJSA-N 1 1 579.745 4.419 50 0 KIAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000101192919 554671393 /nfs/dbraw/zinc/67/13/93/554671393.db2.gz ALMUYIRFABRZLY-LQJZCPKCSA-N 1 1 579.745 4.419 50 0 KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204120 554674028 /nfs/dbraw/zinc/67/40/28/554674028.db2.gz MUBWPBGYQQLPMB-AXGKCNHXSA-N 1 1 591.152 4.400 50 0 biogenic KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204123 554674037 /nfs/dbraw/zinc/67/40/37/554674037.db2.gz MUBWPBGYQQLPMB-BIRRFFDLSA-N 1 1 591.152 4.400 50 0 biogenic KIAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204164 554674236 /nfs/dbraw/zinc/67/42/36/554674236.db2.gz PDYMRDSGTMGWTR-FEAJSZFMSA-N 1 1 577.125 4.010 50 0 biogenic KIAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204168 554674256 /nfs/dbraw/zinc/67/42/56/554674256.db2.gz PDYMRDSGTMGWTR-VXRLQYQGSA-N 1 1 577.125 4.010 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101204224 554674265 /nfs/dbraw/zinc/67/42/65/554674265.db2.gz ZGRFVVVGILZLPQ-URAJONJJSA-N 1 1 557.135 4.000 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101204229 554674280 /nfs/dbraw/zinc/67/42/80/554674280.db2.gz ZGRFVVVGILZLPQ-SJNNHYBDSA-N 1 1 557.135 4.000 50 0 biogenic KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204631 554674750 /nfs/dbraw/zinc/67/47/50/554674750.db2.gz JEFXBZJBOFRCTM-AXGKCNHXSA-N 1 1 591.152 4.400 50 0 biogenic KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204635 554674742 /nfs/dbraw/zinc/67/47/42/554674742.db2.gz JEFXBZJBOFRCTM-BIRRFFDLSA-N 1 1 591.152 4.400 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101206025 554676060 /nfs/dbraw/zinc/67/60/60/554676060.db2.gz QGTPYAFXZQQBLP-URAJONJJSA-N 1 1 601.586 4.109 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101206030 554676022 /nfs/dbraw/zinc/67/60/22/554676022.db2.gz QGTPYAFXZQQBLP-SJNNHYBDSA-N 1 1 601.586 4.109 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101206709 554676426 /nfs/dbraw/zinc/67/64/26/554676426.db2.gz UMVRXOKSMAWCGK-KBBGZRRDSA-N 1 1 571.162 4.308 50 0 biogenic KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101206714 554676392 /nfs/dbraw/zinc/67/63/92/554676392.db2.gz UMVRXOKSMAWCGK-YQXAMQIPSA-N 1 1 571.162 4.308 50 0 biogenic KIAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101207997 554677348 /nfs/dbraw/zinc/67/73/48/554677348.db2.gz AQBBVQDWUMTMJM-MWMDNXTRSA-N 1 1 580.795 4.211 50 0 biogenic KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216200 554682880 /nfs/dbraw/zinc/68/28/80/554682880.db2.gz BSYTWOPNHKXWEW-HSZRJFAPSA-N 1 1 578.566 4.361 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216204 554682889 /nfs/dbraw/zinc/68/28/89/554682889.db2.gz BSYTWOPNHKXWEW-QHCPKHFHSA-N 1 1 578.566 4.361 50 0 KIAAMO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1Cl ZINC000101216221 554682844 /nfs/dbraw/zinc/68/28/44/554682844.db2.gz MYTFQUAUPWMONO-JOCHJYFZSA-N 1 1 608.990 4.080 50 0 KIAAMO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1Cl ZINC000101216226 554682932 /nfs/dbraw/zinc/68/29/32/554682932.db2.gz MYTFQUAUPWMONO-QFIPXVFZSA-N 1 1 608.990 4.080 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216357 554683339 /nfs/dbraw/zinc/68/33/39/554683339.db2.gz ZPKMLNGAGSOFNS-AREMUKBSSA-N 1 1 572.175 4.487 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216363 554683443 /nfs/dbraw/zinc/68/34/43/554683443.db2.gz ZPKMLNGAGSOFNS-SANMLTNESA-N 1 1 572.175 4.487 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216403 554683737 /nfs/dbraw/zinc/68/37/37/554683737.db2.gz WZANEHKHUOWTNV-MUUNZHRXSA-N 1 1 609.793 4.011 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216406 554683672 /nfs/dbraw/zinc/68/36/72/554683672.db2.gz WZANEHKHUOWTNV-NDEPHWFRSA-N 1 1 609.793 4.011 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216451 554683648 /nfs/dbraw/zinc/68/36/48/554683648.db2.gz YVQLYDVLVHKSCZ-RUZDIDTESA-N 1 1 558.148 4.097 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216455 554683682 /nfs/dbraw/zinc/68/36/82/554683682.db2.gz YVQLYDVLVHKSCZ-VWLOTQADSA-N 1 1 558.148 4.097 50 0 KIAAMO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216598 554684166 /nfs/dbraw/zinc/68/41/66/554684166.db2.gz WOPCQXPPKWGFNG-PMERELPUSA-N 1 1 629.783 4.021 50 0 KIAAMO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216603 554684294 /nfs/dbraw/zinc/68/42/94/554684294.db2.gz WOPCQXPPKWGFNG-SSEXGKCCSA-N 1 1 629.783 4.021 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216644 554684215 /nfs/dbraw/zinc/68/42/15/554684215.db2.gz DVCUQWDSQYDESW-RUZDIDTESA-N 1 1 558.148 4.097 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216650 554684325 /nfs/dbraw/zinc/68/43/25/554684325.db2.gz DVCUQWDSQYDESW-VWLOTQADSA-N 1 1 558.148 4.097 50 0 KIAAMO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216709 554684329 /nfs/dbraw/zinc/68/43/29/554684329.db2.gz LLVNHLRDMWFHPF-RUZDIDTESA-N 1 1 558.148 4.097 50 0 KIAAMO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216713 554684564 /nfs/dbraw/zinc/68/45/64/554684564.db2.gz LLVNHLRDMWFHPF-VWLOTQADSA-N 1 1 558.148 4.097 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216725 554684464 /nfs/dbraw/zinc/68/44/64/554684464.db2.gz FAXWRVCPUZZCHA-XMMPIXPASA-N 1 1 578.566 4.361 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216729 554684585 /nfs/dbraw/zinc/68/45/85/554684585.db2.gz FAXWRVCPUZZCHA-DEOSSOPVSA-N 1 1 578.566 4.361 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216745 554684547 /nfs/dbraw/zinc/68/45/47/554684547.db2.gz OXPJWIJPZRABJM-AREMUKBSSA-N 1 1 572.175 4.487 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216746 554684527 /nfs/dbraw/zinc/68/45/27/554684527.db2.gz OXPJWIJPZRABJM-SANMLTNESA-N 1 1 572.175 4.487 50 0 KIAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000101233172 554689626 /nfs/dbraw/zinc/68/96/26/554689626.db2.gz IBYZYYYSRLEXCR-DLEQGYHRSA-N 1 1 575.504 4.148 50 0 KIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101235290 554690716 /nfs/dbraw/zinc/69/07/16/554690716.db2.gz OXKILGWSPVMTEL-HBTXSTMGSA-N 1 1 553.700 4.402 50 0 KIAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235309 554690641 /nfs/dbraw/zinc/69/06/41/554690641.db2.gz VRACALNQPUJABJ-ZQPOIVLLSA-N 1 1 553.700 4.116 50 0 KIAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254750 554695486 /nfs/dbraw/zinc/69/54/86/554695486.db2.gz NIIOHHZATHBCKS-RUZDIDTESA-N 1 1 558.148 4.097 50 0 KIAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254752 554695508 /nfs/dbraw/zinc/69/55/08/554695508.db2.gz NIIOHHZATHBCKS-VWLOTQADSA-N 1 1 558.148 4.097 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254761 554695585 /nfs/dbraw/zinc/69/55/85/554695585.db2.gz RKFPWPOIBJTEAZ-HSZRJFAPSA-N 1 1 548.540 4.352 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254764 554695596 /nfs/dbraw/zinc/69/55/96/554695596.db2.gz RKFPWPOIBJTEAZ-QHCPKHFHSA-N 1 1 548.540 4.352 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254775 554695525 /nfs/dbraw/zinc/69/55/25/554695525.db2.gz UTWPEOQUSZNPOP-HSZRJFAPSA-N 1 1 548.540 4.352 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254780 554695481 /nfs/dbraw/zinc/69/54/81/554695481.db2.gz UTWPEOQUSZNPOP-QHCPKHFHSA-N 1 1 548.540 4.352 50 0 KIAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254918 554695808 /nfs/dbraw/zinc/69/58/08/554695808.db2.gz SGZKCOHKIXWUJP-JOCHJYFZSA-N 1 1 578.964 4.071 50 0 KIAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254921 554695890 /nfs/dbraw/zinc/69/58/90/554695890.db2.gz SGZKCOHKIXWUJP-QFIPXVFZSA-N 1 1 578.964 4.071 50 0 KIAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254956 554696292 /nfs/dbraw/zinc/69/62/92/554696292.db2.gz KZIXVHHSHJOLSZ-RUZDIDTESA-N 1 1 602.599 4.206 50 0 KIAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254958 554696097 /nfs/dbraw/zinc/69/60/97/554696097.db2.gz KZIXVHHSHJOLSZ-VWLOTQADSA-N 1 1 602.599 4.206 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254959 554696133 /nfs/dbraw/zinc/69/61/33/554696133.db2.gz KLFFCMOFLHBWAU-XMMPIXPASA-N 1 1 572.573 4.116 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254961 554696282 /nfs/dbraw/zinc/69/62/82/554696282.db2.gz KLFFCMOFLHBWAU-DEOSSOPVSA-N 1 1 572.573 4.116 50 0 KIAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254999 554696128 /nfs/dbraw/zinc/69/61/28/554696128.db2.gz XJHRUPOIPFKVST-SSEXGKCCSA-N 1 1 601.773 4.243 50 0 KIAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255001 554696087 /nfs/dbraw/zinc/69/60/87/554696087.db2.gz XJHRUPOIPFKVST-PMERELPUSA-N 1 1 601.773 4.243 50 0 KIAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255022 554696102 /nfs/dbraw/zinc/69/61/02/554696102.db2.gz WVTUNMVRPPYFNK-GDLZYMKVSA-N 1 1 589.737 4.373 50 0 KIAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255024 554696123 /nfs/dbraw/zinc/69/61/23/554696123.db2.gz WVTUNMVRPPYFNK-LJAQVGFWSA-N 1 1 589.737 4.373 50 0 KIAAMO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255117 554696210 /nfs/dbraw/zinc/69/62/10/554696210.db2.gz MYOFLYAGCCSJFZ-LJAQVGFWSA-N 1 1 589.737 4.373 50 0 KIAAMO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255120 554696548 /nfs/dbraw/zinc/69/65/48/554696548.db2.gz MYOFLYAGCCSJFZ-GDLZYMKVSA-N 1 1 589.737 4.373 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255375 554696532 /nfs/dbraw/zinc/69/65/32/554696532.db2.gz SRTWTDPZJNGNCL-AREMUKBSSA-N 1 1 569.797 4.166 50 0 KIAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255380 554696472 /nfs/dbraw/zinc/69/64/72/554696472.db2.gz SRTWTDPZJNGNCL-SANMLTNESA-N 1 1 569.797 4.166 50 0 KIAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255408 554696781 /nfs/dbraw/zinc/69/67/81/554696781.db2.gz ZSDBVOLTVUEAGG-SSEXGKCCSA-N 1 1 601.773 4.243 50 0 KIAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255410 554696711 /nfs/dbraw/zinc/69/67/11/554696711.db2.gz ZSDBVOLTVUEAGG-PMERELPUSA-N 1 1 601.773 4.243 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341119 554735433 /nfs/dbraw/zinc/73/54/33/554735433.db2.gz UKBSDEYLFHLDAP-AREMUKBSSA-N 1 1 548.105 4.411 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341122 554735326 /nfs/dbraw/zinc/73/53/26/554735326.db2.gz UKBSDEYLFHLDAP-SANMLTNESA-N 1 1 548.105 4.411 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341144 554735561 /nfs/dbraw/zinc/73/55/61/554735561.db2.gz HBXAYFNOZIWAFP-AREMUKBSSA-N 1 1 530.115 4.272 50 0 KIAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341146 554735680 /nfs/dbraw/zinc/73/56/80/554735680.db2.gz HBXAYFNOZIWAFP-SANMLTNESA-N 1 1 530.115 4.272 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NCCc2cccc(F)c2)CC1 ZINC000101345673 554737323 /nfs/dbraw/zinc/73/73/23/554737323.db2.gz XOFOYNHAYYJQKB-MFMCTBQISA-N 1 1 559.730 4.381 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NCCc2cccc(F)c2)CC1 ZINC000101345673 554737321 /nfs/dbraw/zinc/73/73/21/554737321.db2.gz XOFOYNHAYYJQKB-MFMCTBQISA-N 1 1 559.730 4.381 50 0 KIAAMO CCOCCCNC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101345851 554737419 /nfs/dbraw/zinc/73/74/19/554737419.db2.gz GKFPSZRTAQOYDX-LBNVMWSVSA-N 1 1 561.693 4.436 50 0 KIAAMO CCOCCCNC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101345851 554737416 /nfs/dbraw/zinc/73/74/16/554737416.db2.gz GKFPSZRTAQOYDX-LBNVMWSVSA-N 1 1 561.693 4.436 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356163 554739885 /nfs/dbraw/zinc/73/98/85/554739885.db2.gz FLGDRMAREXTJLC-AREMUKBSSA-N 1 1 548.709 4.445 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356165 554739889 /nfs/dbraw/zinc/73/98/89/554739889.db2.gz FLGDRMAREXTJLC-SANMLTNESA-N 1 1 548.709 4.445 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)COCc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356472 554740079 /nfs/dbraw/zinc/74/00/79/554740079.db2.gz FDSNHEFVSSCLDW-MUUNZHRXSA-N 1 1 562.736 4.340 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)COCc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356474 554740045 /nfs/dbraw/zinc/74/00/45/554740045.db2.gz FDSNHEFVSSCLDW-NDEPHWFRSA-N 1 1 562.736 4.340 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356515 554740022 /nfs/dbraw/zinc/74/00/22/554740022.db2.gz NHTXNZRWTWEPCW-HHHXNRCGSA-N 1 1 548.709 4.202 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356522 554740035 /nfs/dbraw/zinc/74/00/35/554740035.db2.gz NHTXNZRWTWEPCW-MHZLTWQESA-N 1 1 548.709 4.202 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356586 554740308 /nfs/dbraw/zinc/74/03/08/554740308.db2.gz XVNQOSQWRPWYFB-HHHXNRCGSA-N 1 1 548.709 4.445 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356589 554740247 /nfs/dbraw/zinc/74/02/47/554740247.db2.gz XVNQOSQWRPWYFB-MHZLTWQESA-N 1 1 548.709 4.445 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356679 554740275 /nfs/dbraw/zinc/74/02/75/554740275.db2.gz BBGPEVDJEDQMMA-MUUNZHRXSA-N 1 1 562.736 4.374 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356680 554740289 /nfs/dbraw/zinc/74/02/89/554740289.db2.gz BBGPEVDJEDQMMA-NDEPHWFRSA-N 1 1 562.736 4.374 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000101359693 554741817 /nfs/dbraw/zinc/74/18/17/554741817.db2.gz NUHIXEYYNFRXHN-QFIPXVFZSA-N 1 1 536.698 4.058 50 0 KIAAMO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000101359694 554741780 /nfs/dbraw/zinc/74/17/80/554741780.db2.gz NUHIXEYYNFRXHN-JOCHJYFZSA-N 1 1 536.698 4.058 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000101359845 554741710 /nfs/dbraw/zinc/74/17/10/554741710.db2.gz KJRURLOAUUGBQC-XZSZPMDUSA-N 1 1 541.007 4.038 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3-n3c2nc2ccccc2c3=O)c(Br)c1 ZINC000101360192 554742083 /nfs/dbraw/zinc/74/20/83/554742083.db2.gz XGTAZIYDLPBMST-YDXRHMNESA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccccc3-n3c2nc2ccccc2c3=O)c(Br)c1 ZINC000101360192 554742082 /nfs/dbraw/zinc/74/20/82/554742082.db2.gz XGTAZIYDLPBMST-YDXRHMNESA-N 1 1 567.443 4.297 50 0 KIAAMO CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000101381506 554748476 /nfs/dbraw/zinc/74/84/76/554748476.db2.gz OJNRFIYZFDHZDR-GDZDTEGPSA-N 1 1 600.741 4.085 50 0 KIAAMO CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000101381509 554748566 /nfs/dbraw/zinc/74/85/66/554748566.db2.gz OJNRFIYZFDHZDR-LULHQEEUSA-N 1 1 600.741 4.085 50 0 KIAAMO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000101397460 554758703 /nfs/dbraw/zinc/75/87/03/554758703.db2.gz ZABQMBUINHACLB-UHFFFAOYSA-N 1 1 538.714 4.125 50 0 KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101412156 554764185 /nfs/dbraw/zinc/76/41/85/554764185.db2.gz HYHXJRLPTXAGKQ-ZHNFZGJGSA-N 1 1 503.908 4.352 50 0 KIAAMO COc1ccc(-n2nc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415399 554764621 /nfs/dbraw/zinc/76/46/21/554764621.db2.gz VLNDFDTWQAUDDR-UHFFFAOYSA-N 1 1 530.028 4.401 50 0 KIAAMO COc1ccc(-n2nc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415819 554764643 /nfs/dbraw/zinc/76/46/43/554764643.db2.gz JJTSLCPDOCLIBN-UHFFFAOYSA-N 1 1 542.039 4.328 50 0 KIAAMO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nc(C)c2C)cc1OC ZINC000101423348 554767787 /nfs/dbraw/zinc/76/77/87/554767787.db2.gz WBVSDMUFEMCSKD-UHFFFAOYSA-N 1 1 549.741 4.469 50 0 KIAAMO COc1ccc(CCN(C)c2nc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)nc(C)c2C)cc1OC ZINC000101424870 554768024 /nfs/dbraw/zinc/76/80/24/554768024.db2.gz WYGRUCVRBRQEIF-UHFFFAOYSA-N 1 1 549.741 4.469 50 0 KIAAMO Cc1ccc(C)c(N2CC[NH+](CCN3C(=O)c4ccc(-c5ccco5)n4C[C@@]3(C)C(=O)NC3CCCC3)CC2)c1 ZINC000101437090 554772315 /nfs/dbraw/zinc/77/23/15/554772315.db2.gz HCYRYCNMECDEIU-YTTGMZPUSA-N 1 1 543.712 4.460 50 0 KIAAMO Cc1ccc(C)c(N2CC[NH+](CCN3C(=O)c4ccc(-c5ccco5)n4C[C@]3(C)C(=O)NC3CCCC3)CC2)c1 ZINC000101437094 554772270 /nfs/dbraw/zinc/77/22/70/554772270.db2.gz HCYRYCNMECDEIU-JGCGQSQUSA-N 1 1 543.712 4.460 50 0 KIAAMO CCCC[N@@H+](CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)Cc1ccccc1 ZINC000101447350 554774292 /nfs/dbraw/zinc/77/42/92/554774292.db2.gz GCLRAUQXKBNPNO-UHFFFAOYSA-N 1 1 552.741 4.228 50 0 KIAAMO CCn1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447912 554774777 /nfs/dbraw/zinc/77/47/77/554774777.db2.gz YLYNGJSUHUHWJC-UHFFFAOYSA-N 1 1 544.762 4.359 50 0 KIAAMO CCn1cc(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000101448065 554774764 /nfs/dbraw/zinc/77/47/64/554774764.db2.gz GIAJVSDRQAKDCR-UHFFFAOYSA-N 1 1 552.741 4.082 50 0 KIAAMO Cc1cc2c(cc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC000101448791 554775152 /nfs/dbraw/zinc/77/51/52/554775152.db2.gz BZWMBSKMQMRKFS-UHFFFAOYSA-N 1 1 545.055 4.074 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456559 554777600 /nfs/dbraw/zinc/77/76/00/554777600.db2.gz UGTYSLHFYVHCST-HXUWFJFHSA-N 1 1 535.641 4.423 50 0 KIAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456559 554777599 /nfs/dbraw/zinc/77/75/99/554777599.db2.gz UGTYSLHFYVHCST-HXUWFJFHSA-N 1 1 535.641 4.423 50 0 KIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456562 554777562 /nfs/dbraw/zinc/77/75/62/554777562.db2.gz UGTYSLHFYVHCST-FQEVSTJZSA-N 1 1 535.641 4.423 50 0 KIAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456562 554777560 /nfs/dbraw/zinc/77/75/60/554777560.db2.gz UGTYSLHFYVHCST-FQEVSTJZSA-N 1 1 535.641 4.423 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468168 554781008 /nfs/dbraw/zinc/78/10/08/554781008.db2.gz SKXQXIIXECXLBA-CDLOMYRSSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468168 554781006 /nfs/dbraw/zinc/78/10/06/554781006.db2.gz SKXQXIIXECXLBA-CDLOMYRSSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468169 554781021 /nfs/dbraw/zinc/78/10/21/554781021.db2.gz SKXQXIIXECXLBA-HZTMJRFTSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468169 554781020 /nfs/dbraw/zinc/78/10/20/554781020.db2.gz SKXQXIIXECXLBA-HZTMJRFTSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468170 554781031 /nfs/dbraw/zinc/78/10/31/554781031.db2.gz SKXQXIIXECXLBA-PHBCIFJZSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468170 554781029 /nfs/dbraw/zinc/78/10/29/554781029.db2.gz SKXQXIIXECXLBA-PHBCIFJZSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468171 554780995 /nfs/dbraw/zinc/78/09/95/554780995.db2.gz SKXQXIIXECXLBA-OODISRMCSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101468171 554780993 /nfs/dbraw/zinc/78/09/93/554780993.db2.gz SKXQXIIXECXLBA-OODISRMCSA-N 1 1 542.517 4.245 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101468722 554781404 /nfs/dbraw/zinc/78/14/04/554781404.db2.gz XGTAZIYDLPBMST-FJRSXGRASA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101468722 554781401 /nfs/dbraw/zinc/78/14/01/554781401.db2.gz XGTAZIYDLPBMST-FJRSXGRASA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101468727 554781337 /nfs/dbraw/zinc/78/13/37/554781337.db2.gz XGTAZIYDLPBMST-ZXPXOXBPSA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101468727 554781333 /nfs/dbraw/zinc/78/13/33/554781333.db2.gz XGTAZIYDLPBMST-ZXPXOXBPSA-N 1 1 567.443 4.297 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101492774 554786328 /nfs/dbraw/zinc/78/63/28/554786328.db2.gz YQRMJFRIHDVNEZ-XTGAJNFRSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101492777 554786284 /nfs/dbraw/zinc/78/62/84/554786284.db2.gz YQRMJFRIHDVNEZ-CHCBTGSZSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101492780 554786309 /nfs/dbraw/zinc/78/63/09/554786309.db2.gz YQRMJFRIHDVNEZ-RWJVBYDYSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101492782 554786321 /nfs/dbraw/zinc/78/63/21/554786321.db2.gz YQRMJFRIHDVNEZ-IDCDSMMUSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101494783 554786504 /nfs/dbraw/zinc/78/65/04/554786504.db2.gz DQCQPTQMDYHHDD-RFFSZZMTSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101494786 554786533 /nfs/dbraw/zinc/78/65/33/554786533.db2.gz DQCQPTQMDYHHDD-CCPXWOOUSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101494790 554786577 /nfs/dbraw/zinc/78/65/77/554786577.db2.gz DQCQPTQMDYHHDD-NIVHOULJSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000101494792 554786567 /nfs/dbraw/zinc/78/65/67/554786567.db2.gz DQCQPTQMDYHHDD-MTBINSJKSA-N 1 1 525.008 4.420 50 0 KIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000101495473 554786806 /nfs/dbraw/zinc/78/68/06/554786806.db2.gz OIILRNYZCWHESG-YZBPACDBSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000101495476 554786800 /nfs/dbraw/zinc/78/68/00/554786800.db2.gz OIILRNYZCWHESG-RXWXGCHASA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000101495478 554786845 /nfs/dbraw/zinc/78/68/45/554786845.db2.gz OIILRNYZCWHESG-DXHIYDNGSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000101495480 554786871 /nfs/dbraw/zinc/78/68/71/554786871.db2.gz OIILRNYZCWHESG-HICLHYEGSA-N 1 1 518.617 4.383 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499463 554787591 /nfs/dbraw/zinc/78/75/91/554787591.db2.gz WGKWIDAYDLOBQE-CDLOMYRSSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499463 554787589 /nfs/dbraw/zinc/78/75/89/554787589.db2.gz WGKWIDAYDLOBQE-CDLOMYRSSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499464 554787498 /nfs/dbraw/zinc/78/74/98/554787498.db2.gz WGKWIDAYDLOBQE-HZTMJRFTSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499464 554787496 /nfs/dbraw/zinc/78/74/96/554787496.db2.gz WGKWIDAYDLOBQE-HZTMJRFTSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499468 554787484 /nfs/dbraw/zinc/78/74/84/554787484.db2.gz WGKWIDAYDLOBQE-PHBCIFJZSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499468 554787480 /nfs/dbraw/zinc/78/74/80/554787480.db2.gz WGKWIDAYDLOBQE-PHBCIFJZSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499472 554787518 /nfs/dbraw/zinc/78/75/18/554787518.db2.gz WGKWIDAYDLOBQE-OODISRMCSA-N 1 1 526.955 4.019 50 0 KIAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101499472 554787515 /nfs/dbraw/zinc/78/75/15/554787515.db2.gz WGKWIDAYDLOBQE-OODISRMCSA-N 1 1 526.955 4.019 50 0 KIAAMO Cc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000101499731 554787524 /nfs/dbraw/zinc/78/75/24/554787524.db2.gz LZQQNNHKFIIAAH-SQZFZZOSSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000101499733 554787586 /nfs/dbraw/zinc/78/75/86/554787586.db2.gz LZQQNNHKFIIAAH-UVDWCWKGSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000101499737 554787538 /nfs/dbraw/zinc/78/75/38/554787538.db2.gz LZQQNNHKFIIAAH-CTLYIEFGSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000101499742 554787491 /nfs/dbraw/zinc/78/74/91/554787491.db2.gz LZQQNNHKFIIAAH-IRGZZYJPSA-N 1 1 518.617 4.383 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000101499808 554787504 /nfs/dbraw/zinc/78/75/04/554787504.db2.gz VGRVBKSZQAUANF-XTGAJNFRSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000101499810 554787510 /nfs/dbraw/zinc/78/75/10/554787510.db2.gz VGRVBKSZQAUANF-CHCBTGSZSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000101499812 554787549 /nfs/dbraw/zinc/78/75/49/554787549.db2.gz VGRVBKSZQAUANF-RWJVBYDYSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000101499815 554787566 /nfs/dbraw/zinc/78/75/66/554787566.db2.gz VGRVBKSZQAUANF-IDCDSMMUSA-N 1 1 555.432 4.139 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000101499832 554787595 /nfs/dbraw/zinc/78/75/95/554787595.db2.gz SNOWNCNOGLBNGQ-SQZFZZOSSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000101499834 554787529 /nfs/dbraw/zinc/78/75/29/554787529.db2.gz SNOWNCNOGLBNGQ-UVDWCWKGSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000101499835 554787849 /nfs/dbraw/zinc/78/78/49/554787849.db2.gz SNOWNCNOGLBNGQ-CTLYIEFGSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000101499836 554787785 /nfs/dbraw/zinc/78/77/85/554787785.db2.gz SNOWNCNOGLBNGQ-IRGZZYJPSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101499958 554787812 /nfs/dbraw/zinc/78/78/12/554787812.db2.gz GMOWNTRSHMJQIY-JMYWALRPSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101499961 554787807 /nfs/dbraw/zinc/78/78/07/554787807.db2.gz GMOWNTRSHMJQIY-HEFFCGQNSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101499962 554787762 /nfs/dbraw/zinc/78/77/62/554787762.db2.gz GMOWNTRSHMJQIY-COODSDTASA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101499963 554787775 /nfs/dbraw/zinc/78/77/75/554787775.db2.gz GMOWNTRSHMJQIY-PIVZZMFTSA-N 1 1 518.617 4.383 50 0 KIAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000101500231 554787840 /nfs/dbraw/zinc/78/78/40/554787840.db2.gz WUELQDPZJZQSPX-VAWYXSNFSA-N 1 1 566.699 4.258 50 0 KIAAMO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101500423 554788216 /nfs/dbraw/zinc/78/82/16/554788216.db2.gz ONODJKRXQRMCDD-CSKARUKUSA-N 1 1 570.662 4.177 50 0 KIAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101500541 554788281 /nfs/dbraw/zinc/78/82/81/554788281.db2.gz SAMOIGOTRITQRB-VAWYXSNFSA-N 1 1 552.672 4.038 50 0 KIAAMO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)CC1 ZINC000101501932 554788999 /nfs/dbraw/zinc/78/89/99/554788999.db2.gz DVNDCBSULSOYJN-SOFGYWHQSA-N 1 1 550.672 4.164 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101502344 554789051 /nfs/dbraw/zinc/78/90/51/554789051.db2.gz MDURNSFETLLEIQ-XTGAJNFRSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101502349 554788979 /nfs/dbraw/zinc/78/89/79/554788979.db2.gz MDURNSFETLLEIQ-CHCBTGSZSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101502354 554789044 /nfs/dbraw/zinc/78/90/44/554789044.db2.gz MDURNSFETLLEIQ-RWJVBYDYSA-N 1 1 555.432 4.139 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101502358 554788962 /nfs/dbraw/zinc/78/89/62/554788962.db2.gz MDURNSFETLLEIQ-IDCDSMMUSA-N 1 1 555.432 4.139 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101503009 554789302 /nfs/dbraw/zinc/78/93/02/554789302.db2.gz NMHBNBHEKAEVOJ-OZSMRWMWSA-N 1 1 555.034 4.428 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101503016 554789202 /nfs/dbraw/zinc/78/92/02/554789202.db2.gz NMHBNBHEKAEVOJ-OREFXHGKSA-N 1 1 555.034 4.428 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101503020 554789296 /nfs/dbraw/zinc/78/92/96/554789296.db2.gz NMHBNBHEKAEVOJ-VIKVLLDXSA-N 1 1 555.034 4.428 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101503025 554789227 /nfs/dbraw/zinc/78/92/27/554789227.db2.gz NMHBNBHEKAEVOJ-NRIYUKMNSA-N 1 1 555.034 4.428 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000101503259 554789189 /nfs/dbraw/zinc/78/91/89/554789189.db2.gz YMSZGKRPIBTZNO-LUASENJMSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000101503260 554789180 /nfs/dbraw/zinc/78/91/80/554789180.db2.gz YMSZGKRPIBTZNO-DIKZQZFXSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000101503263 554789231 /nfs/dbraw/zinc/78/92/31/554789231.db2.gz YMSZGKRPIBTZNO-RHRDVFBWSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000101503266 554789163 /nfs/dbraw/zinc/78/91/63/554789163.db2.gz YMSZGKRPIBTZNO-OBWDDDHRSA-N 1 1 525.008 4.420 50 0 KIAAMO CCc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101509004 554791734 /nfs/dbraw/zinc/79/17/34/554791734.db2.gz BCSXXXYWMSSLKC-SQZFZZOSSA-N 1 1 518.617 4.329 50 0 KIAAMO CCc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101509006 554791750 /nfs/dbraw/zinc/79/17/50/554791750.db2.gz BCSXXXYWMSSLKC-UVDWCWKGSA-N 1 1 518.617 4.329 50 0 KIAAMO CCc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101509008 554791793 /nfs/dbraw/zinc/79/17/93/554791793.db2.gz BCSXXXYWMSSLKC-CTLYIEFGSA-N 1 1 518.617 4.329 50 0 KIAAMO CCc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101509010 554791798 /nfs/dbraw/zinc/79/17/98/554791798.db2.gz BCSXXXYWMSSLKC-IRGZZYJPSA-N 1 1 518.617 4.329 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101509208 554792014 /nfs/dbraw/zinc/79/20/14/554792014.db2.gz GIYYBTKFZQDDBA-SFOWLQBLSA-N 1 1 569.459 4.447 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101509210 554792033 /nfs/dbraw/zinc/79/20/33/554792033.db2.gz GIYYBTKFZQDDBA-GBRARVNLSA-N 1 1 569.459 4.447 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101509211 554792035 /nfs/dbraw/zinc/79/20/35/554792035.db2.gz GIYYBTKFZQDDBA-ZASNTINBSA-N 1 1 569.459 4.447 50 0 KIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101509213 554792043 /nfs/dbraw/zinc/79/20/43/554792043.db2.gz GIYYBTKFZQDDBA-ZRIOWSNCSA-N 1 1 569.459 4.447 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000101510659 554792351 /nfs/dbraw/zinc/79/23/51/554792351.db2.gz KLINMEBRWMDNIP-RFFSZZMTSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000101510661 554792507 /nfs/dbraw/zinc/79/25/07/554792507.db2.gz KLINMEBRWMDNIP-CCPXWOOUSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000101510663 554792517 /nfs/dbraw/zinc/79/25/17/554792517.db2.gz KLINMEBRWMDNIP-NIVHOULJSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000101510665 554792530 /nfs/dbraw/zinc/79/25/30/554792530.db2.gz KLINMEBRWMDNIP-MTBINSJKSA-N 1 1 525.008 4.420 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510862 554792510 /nfs/dbraw/zinc/79/25/10/554792510.db2.gz KIVGCFBAPNVAPX-XTGAJNFRSA-N 1 1 528.971 4.169 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510864 554792587 /nfs/dbraw/zinc/79/25/87/554792587.db2.gz KIVGCFBAPNVAPX-CHCBTGSZSA-N 1 1 528.971 4.169 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510866 554792562 /nfs/dbraw/zinc/79/25/62/554792562.db2.gz KIVGCFBAPNVAPX-RWJVBYDYSA-N 1 1 528.971 4.169 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510869 554792554 /nfs/dbraw/zinc/79/25/54/554792554.db2.gz KIVGCFBAPNVAPX-IDCDSMMUSA-N 1 1 528.971 4.169 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101590983 554802736 /nfs/dbraw/zinc/80/27/36/554802736.db2.gz OTWZTZMEAKWNJW-XTGAJNFRSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101590988 554802788 /nfs/dbraw/zinc/80/27/88/554802788.db2.gz OTWZTZMEAKWNJW-CHCBTGSZSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101590991 554802846 /nfs/dbraw/zinc/80/28/46/554802846.db2.gz OTWZTZMEAKWNJW-RWJVBYDYSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101590995 554802781 /nfs/dbraw/zinc/80/27/81/554802781.db2.gz OTWZTZMEAKWNJW-IDCDSMMUSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101599691 554803926 /nfs/dbraw/zinc/80/39/26/554803926.db2.gz HEGGIEGNTDBFHB-XTGAJNFRSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101599699 554803872 /nfs/dbraw/zinc/80/38/72/554803872.db2.gz HEGGIEGNTDBFHB-CHCBTGSZSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101599706 554803876 /nfs/dbraw/zinc/80/38/76/554803876.db2.gz HEGGIEGNTDBFHB-RWJVBYDYSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101599710 554803931 /nfs/dbraw/zinc/80/39/31/554803931.db2.gz HEGGIEGNTDBFHB-IDCDSMMUSA-N 1 1 544.533 4.395 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610097 554805376 /nfs/dbraw/zinc/80/53/76/554805376.db2.gz DWSDQLORCCXDMZ-GBRARVNLSA-N 1 1 525.008 4.338 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610101 554805395 /nfs/dbraw/zinc/80/53/95/554805395.db2.gz DWSDQLORCCXDMZ-ZASNTINBSA-N 1 1 525.008 4.338 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610105 554805419 /nfs/dbraw/zinc/80/54/19/554805419.db2.gz DWSDQLORCCXDMZ-ZRIOWSNCSA-N 1 1 525.008 4.338 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610453 554805425 /nfs/dbraw/zinc/80/54/25/554805425.db2.gz KJRURLOAUUGBQC-GBRARVNLSA-N 1 1 541.007 4.038 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610458 554805321 /nfs/dbraw/zinc/80/53/21/554805321.db2.gz KJRURLOAUUGBQC-ZRIOWSNCSA-N 1 1 541.007 4.038 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610462 554805441 /nfs/dbraw/zinc/80/54/41/554805441.db2.gz KJRURLOAUUGBQC-SFOWLQBLSA-N 1 1 541.007 4.038 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101610467 554805408 /nfs/dbraw/zinc/80/54/08/554805408.db2.gz KJRURLOAUUGBQC-ZASNTINBSA-N 1 1 541.007 4.038 50 0 KIAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000101614287 554805914 /nfs/dbraw/zinc/80/59/14/554805914.db2.gz MZUZKIUPPMKQBW-MUQQHEDISA-N 1 1 560.695 4.278 50 0 KIAAMO O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101635521 554812686 /nfs/dbraw/zinc/81/26/86/554812686.db2.gz KKSHOJIXYCDTEO-IMRQLAEWSA-N 1 1 535.019 4.184 50 0 KIAAMO COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000101637303 554813405 /nfs/dbraw/zinc/81/34/05/554813405.db2.gz MCQJCFFRISYABU-TURZUDJPSA-N 1 1 547.055 4.054 50 0 KIAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000101685335 554829538 /nfs/dbraw/zinc/82/95/38/554829538.db2.gz PJKAAIHUIMTYAP-UHFFFAOYSA-N 1 1 572.797 4.109 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2[C@H](c3ccc(NC(=O)c4ccc(OC)cc4)cc3)OC(=O)N2Cc2ccccc2C)CC1 ZINC000101685668 554829526 /nfs/dbraw/zinc/82/95/26/554829526.db2.gz UQJQRIYIXCGYFF-VMPREFPWSA-N 1 1 556.663 4.482 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@H](c3ccc(NC(=O)c4ccc(OC)cc4)cc3)OC(=O)N2Cc2ccccc2C)CC1 ZINC000101685672 554829552 /nfs/dbraw/zinc/82/95/52/554829552.db2.gz UQJQRIYIXCGYFF-WDYNHAJCSA-N 1 1 556.663 4.482 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H](c3ccc(NC(=O)c4ccc(OC)cc4)cc3)OC(=O)N2Cc2ccccc2C)CC1 ZINC000101685674 554829543 /nfs/dbraw/zinc/82/95/43/554829543.db2.gz UQJQRIYIXCGYFF-URLMMPGGSA-N 1 1 556.663 4.482 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4ccc(OC)cc4)cc3)OC(=O)N2Cc2ccccc2C)CC1 ZINC000101685680 554829554 /nfs/dbraw/zinc/82/95/54/554829554.db2.gz UQJQRIYIXCGYFF-FQLXRVMXSA-N 1 1 556.663 4.482 50 0 KIAAMO COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccccc4C)[C@@H]3C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000101685690 554829473 /nfs/dbraw/zinc/82/94/73/554829473.db2.gz YIQZWIAHWOMNGN-NSOVKSMOSA-N 1 1 542.636 4.092 50 0 KIAAMO COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccccc4C)[C@H]3C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000101685695 554829532 /nfs/dbraw/zinc/82/95/32/554829532.db2.gz YIQZWIAHWOMNGN-IZLXSDGUSA-N 1 1 542.636 4.092 50 0 KIAAMO COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccccc4C)[C@@H]3C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000101685701 554829522 /nfs/dbraw/zinc/82/95/22/554829522.db2.gz YIQZWIAHWOMNGN-WUFINQPMSA-N 1 1 542.636 4.092 50 0 KIAAMO COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccccc4C)[C@H]3C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000101685706 554829512 /nfs/dbraw/zinc/82/95/12/554829512.db2.gz YIQZWIAHWOMNGN-VSGBNLITSA-N 1 1 542.636 4.092 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000101749082 1064276724 /nfs/dbraw/zinc/27/67/24/1064276724.db2.gz SJSAOKQCMFQEHS-LJAQVGFWSA-N 1 1 544.671 4.040 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000101749086 1064276868 /nfs/dbraw/zinc/27/68/68/1064276868.db2.gz SJSAOKQCMFQEHS-GDLZYMKVSA-N 1 1 544.671 4.040 50 0 KIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000101780443 554838231 /nfs/dbraw/zinc/83/82/31/554838231.db2.gz MCEXMOPHOPFJBD-UHFFFAOYSA-N 1 1 539.510 4.432 50 0 KIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)c2C(=O)N1C[C@H]1COc2ccccc2O1 ZINC000101781319 554838599 /nfs/dbraw/zinc/83/85/99/554838599.db2.gz SJJXAMNUNRNZQZ-NRFANRHFSA-N 1 1 553.537 4.343 50 0 KIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)c2C(=O)N1C[C@@H]1COc2ccccc2O1 ZINC000101781324 554838453 /nfs/dbraw/zinc/83/84/53/554838453.db2.gz SJJXAMNUNRNZQZ-OAQYLSRUSA-N 1 1 553.537 4.343 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)N(Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000101783405 554838430 /nfs/dbraw/zinc/83/84/30/554838430.db2.gz HGNLFJHSFSJCJZ-GUVPDLCXSA-N 1 1 581.117 4.174 50 0 KIAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000101785170 554838513 /nfs/dbraw/zinc/83/85/13/554838513.db2.gz BKEVGUAGGPLISU-UHFFFAOYSA-N 1 1 534.604 4.170 50 0 KIAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000101796213 554839211 /nfs/dbraw/zinc/83/92/11/554839211.db2.gz QSSWYQVZSKBGNH-WNCULLNHSA-N 1 1 561.718 4.469 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000101796213 554839209 /nfs/dbraw/zinc/83/92/09/554839209.db2.gz QSSWYQVZSKBGNH-WNCULLNHSA-N 1 1 561.718 4.469 50 0 KIAAMO COc1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCSCC3)C2)c1OC ZINC000101900273 554847427 /nfs/dbraw/zinc/84/74/27/554847427.db2.gz KBDRUDXUYDVTNE-RPLLCQBOSA-N 1 1 570.775 4.211 50 0 KIAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCSCC3)C2)c1OC ZINC000101900273 554847425 /nfs/dbraw/zinc/84/74/25/554847425.db2.gz KBDRUDXUYDVTNE-RPLLCQBOSA-N 1 1 570.775 4.211 50 0 KIAAMO Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(N3CC[NH+](Cc4ccccc4)CC3)cc1O2 ZINC000101901471 554847394 /nfs/dbraw/zinc/84/73/94/554847394.db2.gz GYVADDBNCDRDAR-UHFFFAOYSA-N 1 1 532.666 4.460 50 0 KIAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2ccon2)CC1 ZINC000101916103 554850163 /nfs/dbraw/zinc/85/01/63/554850163.db2.gz PWLGXQPSLANKGR-XTEPFMGCSA-N 1 1 531.701 4.135 50 0 KIAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2ccon2)CC1 ZINC000101916103 554850159 /nfs/dbraw/zinc/85/01/59/554850159.db2.gz PWLGXQPSLANKGR-XTEPFMGCSA-N 1 1 531.701 4.135 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000101919830 554851206 /nfs/dbraw/zinc/85/12/06/554851206.db2.gz BXSLLTJBOPQJEX-LOSJGSFVSA-N 1 1 527.621 4.003 50 0 KIAAMO O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000101926012 554851880 /nfs/dbraw/zinc/85/18/80/554851880.db2.gz ICPGNJKYXKVUMR-LJAQVGFWSA-N 1 1 567.734 4.457 50 0 KIAAMO O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000101926016 554851851 /nfs/dbraw/zinc/85/18/51/554851851.db2.gz ICPGNJKYXKVUMR-GDLZYMKVSA-N 1 1 567.734 4.457 50 0 KIAAMO CCOCCCNC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000102066283 554873402 /nfs/dbraw/zinc/87/34/02/554873402.db2.gz CFXHXLKRZCGJIT-LBNVMWSVSA-N 1 1 570.750 4.179 50 0 KIAAMO CCOCCCNC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102066283 554873400 /nfs/dbraw/zinc/87/34/00/554873400.db2.gz CFXHXLKRZCGJIT-LBNVMWSVSA-N 1 1 570.750 4.179 50 0 KIAAMO CCOC(=O)N1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000102091231 554877665 /nfs/dbraw/zinc/87/76/65/554877665.db2.gz RGCMLHJAEGNDDF-UHFFFAOYSA-N 1 1 547.033 4.498 50 0 KIAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)N(Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 ZINC000102112470 554882929 /nfs/dbraw/zinc/88/29/29/554882929.db2.gz CBFMVAYEGLUPLM-XMODGQSNSA-N 1 1 581.117 4.174 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102131720 554885701 /nfs/dbraw/zinc/88/57/01/554885701.db2.gz KEIODQIIPDWBLH-UHFFFAOYSA-N 1 1 552.764 4.361 50 0 KIAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132080 554886180 /nfs/dbraw/zinc/88/61/80/554886180.db2.gz RFBIGFVJDWPUBJ-UHFFFAOYSA-N 1 1 560.690 4.022 50 0 KIAAMO CN1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132617 554886718 /nfs/dbraw/zinc/88/67/18/554886718.db2.gz RSSUGOZXPHHRKE-UHFFFAOYSA-N 1 1 545.128 4.008 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 ZINC000102137227 1064284705 /nfs/dbraw/zinc/28/47/05/1064284705.db2.gz KUTCWLLZBAVXEW-AMGIVPHBSA-N 1 1 593.059 4.282 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 ZINC000102137227 1064284693 /nfs/dbraw/zinc/28/46/93/1064284693.db2.gz KUTCWLLZBAVXEW-AMGIVPHBSA-N 1 1 593.059 4.282 50 0 KIAAMO COc1ccc(CCN(C)C(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)cc1OC ZINC000102142255 554888621 /nfs/dbraw/zinc/88/86/21/554888621.db2.gz HJUGKSALXLAXLD-AHKZPQOWSA-N 1 1 544.136 4.361 50 0 KIAAMO COc1ccc(CCN(C)C(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1OC ZINC000102142255 554888619 /nfs/dbraw/zinc/88/86/19/554888619.db2.gz HJUGKSALXLAXLD-AHKZPQOWSA-N 1 1 544.136 4.361 50 0 KIAAMO COc1cc(CNC(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000102147124 554889465 /nfs/dbraw/zinc/88/94/65/554889465.db2.gz AIQBYIHBKCNABP-LMSSTIIKSA-N 1 1 561.723 4.485 50 0 KIAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102176757 554892547 /nfs/dbraw/zinc/89/25/47/554892547.db2.gz VBZZFRBFTIBAGC-XZOQPEGZSA-N 1 1 535.616 4.245 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)nn1 ZINC000102205058 554896339 /nfs/dbraw/zinc/89/63/39/554896339.db2.gz UIIPUQQIGNUIRP-VIZCGCQYSA-N 1 1 584.652 4.161 50 0 KIAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)nn1 ZINC000102205058 554896337 /nfs/dbraw/zinc/89/63/37/554896337.db2.gz UIIPUQQIGNUIRP-VIZCGCQYSA-N 1 1 584.652 4.161 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCOCC1)N1CCN(c2ccccn2)CC1 ZINC000102214646 554897969 /nfs/dbraw/zinc/89/79/69/554897969.db2.gz FHFJSQFFTXIARQ-CQTOTRCISA-N 1 1 567.778 4.365 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3c[nH]cn3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102227954 554899745 /nfs/dbraw/zinc/89/97/45/554899745.db2.gz OPEPVQPRWHJRPE-LEWJYISDSA-N 1 1 546.590 4.322 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000102231122 554900235 /nfs/dbraw/zinc/90/02/35/554900235.db2.gz JDDOCLRBZMCAEQ-DQEYMECFSA-N 1 1 536.629 4.366 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000102231125 554900187 /nfs/dbraw/zinc/90/01/87/554900187.db2.gz JDDOCLRBZMCAEQ-RPBOFIJWSA-N 1 1 536.629 4.366 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000102231129 554900316 /nfs/dbraw/zinc/90/03/16/554900316.db2.gz JDDOCLRBZMCAEQ-LOSJGSFVSA-N 1 1 536.629 4.366 50 0 KIAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000102231134 554900224 /nfs/dbraw/zinc/90/02/24/554900224.db2.gz JDDOCLRBZMCAEQ-JWQCQUIFSA-N 1 1 536.629 4.366 50 0 KIAAMO CCc1ccc(C[N@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000102256526 554904578 /nfs/dbraw/zinc/90/45/78/554904578.db2.gz VIAMQGUVHFWSIZ-IAPPQJPRSA-N 1 1 523.637 4.349 50 0 KIAAMO CCc1ccc(C[N@@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000102256526 554904577 /nfs/dbraw/zinc/90/45/77/554904577.db2.gz VIAMQGUVHFWSIZ-IAPPQJPRSA-N 1 1 523.637 4.349 50 0 KIAAMO O=C(c1ccc(-n2ccnc2)cc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102309193 1064285862 /nfs/dbraw/zinc/28/58/62/1064285862.db2.gz AMMHZVTVMNTTJR-UHFFFAOYSA-N 1 1 536.680 4.269 50 0 KIAAMO COC(=O)c1sccc1S(=O)(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000102312909 554910072 /nfs/dbraw/zinc/91/00/72/554910072.db2.gz UEJOABDCNBCCPX-UHFFFAOYSA-N 1 1 594.759 4.100 50 0 KIAAMO Cc1c(C[N@@H+]2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000102329460 554912382 /nfs/dbraw/zinc/91/23/82/554912382.db2.gz OCWSCAZBSMOXLD-LJAQVGFWSA-N 1 1 542.655 4.096 50 0 KIAAMO Cc1c(C[N@H+]2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000102329460 554912380 /nfs/dbraw/zinc/91/23/80/554912380.db2.gz OCWSCAZBSMOXLD-LJAQVGFWSA-N 1 1 542.655 4.096 50 0 KIAAMO Cc1c(C[N@@H+]2CC(=O)N(CCc3ccccc3)C[C@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000102329464 554912346 /nfs/dbraw/zinc/91/23/46/554912346.db2.gz OCWSCAZBSMOXLD-GDLZYMKVSA-N 1 1 542.655 4.096 50 0 KIAAMO Cc1c(C[N@H+]2CC(=O)N(CCc3ccccc3)C[C@H](OCc3cccc(F)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000102329464 554912345 /nfs/dbraw/zinc/91/23/45/554912345.db2.gz OCWSCAZBSMOXLD-GDLZYMKVSA-N 1 1 542.655 4.096 50 0 KIAAMO COc1cccc(N2CCN(C(=O)CC[C@H]3CN(Cc4ccc(Cl)cc4)CC[C@H]3[NH+]3CCOCC3)CC2)c1 ZINC000102333315 554912602 /nfs/dbraw/zinc/91/26/02/554912602.db2.gz GLAGHGLSTOANMH-ABYGYWHVSA-N 1 1 541.136 4.000 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000102338525 554912879 /nfs/dbraw/zinc/91/28/79/554912879.db2.gz VGEXOGXIAHRGMT-GDJIYFAZSA-N 1 1 535.641 4.327 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000102338531 554912866 /nfs/dbraw/zinc/91/28/66/554912866.db2.gz VGEXOGXIAHRGMT-VKGTZQKMSA-N 1 1 535.641 4.327 50 0 KIAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C1 ZINC000102339569 554912753 /nfs/dbraw/zinc/91/27/53/554912753.db2.gz BFCWPGKVBAACHU-FZBZCGEPSA-N 1 1 559.629 4.249 50 0 KIAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C1 ZINC000102339573 554912776 /nfs/dbraw/zinc/91/27/76/554912776.db2.gz BFCWPGKVBAACHU-NKPLSRDGSA-N 1 1 559.629 4.249 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1OC ZINC000102348925 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C[N@@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102433726 1064286094 /nfs/dbraw/zinc/28/60/94/1064286094.db2.gz QMEFBAIHXLCCBD-UHFFFAOYSA-N 1 1 536.723 4.314 50 0 KIAAMO Cc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102487980 1064286141 /nfs/dbraw/zinc/28/61/41/1064286141.db2.gz NONLPRAQAPLNID-UHFFFAOYSA-N 1 1 538.689 4.079 50 0 KIAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000102515161 554947633 /nfs/dbraw/zinc/94/76/33/554947633.db2.gz IOBWDEMUYNSNPA-HKBQPEDESA-N 1 1 538.648 4.227 50 0 KIAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000102515165 554947631 /nfs/dbraw/zinc/94/76/31/554947631.db2.gz IOBWDEMUYNSNPA-WJOKGBTCSA-N 1 1 538.648 4.227 50 0 KIAAMO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@@H+](CCC3=C(C)CCCC3(C)C)C2)c1C(=O)OC ZINC000102548280 554960298 /nfs/dbraw/zinc/96/02/98/554960298.db2.gz SBTJDMXPNAXXNX-UPVQGACJSA-N 1 1 565.671 4.052 50 0 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595.741 4.469 50 0 KIAAMO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000102614299 554984049 /nfs/dbraw/zinc/98/40/49/554984049.db2.gz JGRRMEQUJMSFTN-VQHVLOKHSA-N 1 1 570.662 4.007 50 0 KIAAMO COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000102617465 554984820 /nfs/dbraw/zinc/98/48/20/554984820.db2.gz YIQVRXMGHDJRHO-NCELDCMTSA-N 1 1 568.468 4.327 50 0 KIAAMO O=C(CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000102631973 554989518 /nfs/dbraw/zinc/98/95/18/554989518.db2.gz HZPNUTODWSTSEF-RPLLCQBOSA-N 1 1 561.718 4.469 50 0 KIAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000102631973 554989516 /nfs/dbraw/zinc/98/95/16/554989516.db2.gz HZPNUTODWSTSEF-RPLLCQBOSA-N 1 1 561.718 4.469 50 0 KIAAMO CCn1c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000102634479 554990505 /nfs/dbraw/zinc/99/05/05/554990505.db2.gz XAJIIJVKIMMZRG-UHFFFAOYSA-N 1 1 575.113 4.007 50 0 KIAAMO CCn1c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000102634479 554990502 /nfs/dbraw/zinc/99/05/02/554990502.db2.gz XAJIIJVKIMMZRG-UHFFFAOYSA-N 1 1 575.113 4.007 50 0 KIAAMO COc1ccc(CCNC(=O)COc2ccc(-c3ncccn3)cc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000102646536 1064288268 /nfs/dbraw/zinc/28/82/68/1064288268.db2.gz DPJNWIQLSYCNGZ-UHFFFAOYSA-N 1 1 537.664 4.212 50 0 KIAAMO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000102648038 554993833 /nfs/dbraw/zinc/99/38/33/554993833.db2.gz BJJMLPNWEBETFW-UHFFFAOYSA-N 1 1 536.673 4.493 50 0 KIAAMO O=C(NCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102649850 554995324 /nfs/dbraw/zinc/99/53/24/554995324.db2.gz JQMCKLADFBBLLS-SUYBVONHSA-N 1 1 527.709 4.294 50 0 KIAAMO CC[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3c(F)cccc3Cl)CC2)CC1 ZINC000102652267 554996571 /nfs/dbraw/zinc/99/65/71/554996571.db2.gz QDOZHVSRWWLMEN-NVQXNPDNSA-N 1 1 546.156 4.238 50 0 KIAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1cnsn1 ZINC000102663274 1064287638 /nfs/dbraw/zinc/28/76/38/1064287638.db2.gz GVLJIARILHJLRG-DEOSSOPVSA-N 1 1 539.677 4.472 50 0 KIAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1cnsn1 ZINC000102663277 1064288297 /nfs/dbraw/zinc/28/82/97/1064288297.db2.gz GVLJIARILHJLRG-XMMPIXPASA-N 1 1 539.677 4.472 50 0 KIAAMO COC(=O)c1ccc(C[N@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)NCc2cn3ccccc3n2)cc1 ZINC000102674605 555003576 /nfs/dbraw/zinc/00/35/76/555003576.db2.gz PFZNGMPXGFGGSQ-FTJBHMTQSA-N 1 1 530.650 4.181 50 0 KIAAMO COC(=O)c1ccc(C[N@@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)NCc2cn3ccccc3n2)cc1 ZINC000102674605 555003573 /nfs/dbraw/zinc/00/35/73/555003573.db2.gz PFZNGMPXGFGGSQ-FTJBHMTQSA-N 1 1 530.650 4.181 50 0 KIAAMO CCC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(C/C=C/c3ccccc3)C2)CC1 ZINC000102677231 1064287358 /nfs/dbraw/zinc/28/73/58/1064287358.db2.gz CEEWFKUFESEHSK-HERSFQOFSA-N 1 1 546.756 4.209 50 0 KIAAMO CCCN1CCC([NH2+][C@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(C/C=C/c3ccccc3)C2)CC1 ZINC000102677231 1064287353 /nfs/dbraw/zinc/28/73/53/1064287353.db2.gz CEEWFKUFESEHSK-HERSFQOFSA-N 1 1 546.756 4.209 50 0 KIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000102683418 555006703 /nfs/dbraw/zinc/00/67/03/555006703.db2.gz MPQZHXSKUTUQQS-UHFFFAOYSA-N 1 1 529.382 4.104 50 0 KIAAMO O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102695781 1064287320 /nfs/dbraw/zinc/28/73/20/1064287320.db2.gz SLVBEWZYKVJZBO-UHFFFAOYSA-N 1 1 547.146 4.346 50 0 KIAAMO Cc1ccc(-c2ccc(C(=O)N3CCN(CCOc4cccc(C[N@@H+](C)C[C@@H]5CCC(=O)N5)c4)CC3)cc2)cc1 ZINC000102698239 1064287977 /nfs/dbraw/zinc/28/79/77/1064287977.db2.gz HQHRNJLTMYDKTH-PMERELPUSA-N 1 1 540.708 4.209 50 0 KIAAMO Cc1ccc(-c2ccc(C(=O)N3CCN(CCOc4cccc(C[N@@H+](C)C[C@H]5CCC(=O)N5)c4)CC3)cc2)cc1 ZINC000102698240 1064287525 /nfs/dbraw/zinc/28/75/25/1064287525.db2.gz HQHRNJLTMYDKTH-SSEXGKCCSA-N 1 1 540.708 4.209 50 0 KIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102698356 555012160 /nfs/dbraw/zinc/01/21/60/555012160.db2.gz LTBQDCWPRILMTG-XUZZJYLKSA-N 1 1 535.607 4.386 50 0 KIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102698356 555012157 /nfs/dbraw/zinc/01/21/57/555012157.db2.gz LTBQDCWPRILMTG-XUZZJYLKSA-N 1 1 535.607 4.386 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102703522 1064288722 /nfs/dbraw/zinc/28/87/22/1064288722.db2.gz BMCCCWLRCHMIHU-LJAQVGFWSA-N 1 1 544.671 4.040 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102703525 1064288541 /nfs/dbraw/zinc/28/85/41/1064288541.db2.gz BMCCCWLRCHMIHU-GDLZYMKVSA-N 1 1 544.671 4.040 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102705784 1064288774 /nfs/dbraw/zinc/28/87/74/1064288774.db2.gz WGVVALOVVYUEGZ-LJAQVGFWSA-N 1 1 544.671 4.040 50 0 KIAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102705785 1064287422 /nfs/dbraw/zinc/28/74/22/1064287422.db2.gz WGVVALOVVYUEGZ-GDLZYMKVSA-N 1 1 544.671 4.040 50 0 KIAAMO CCC[NH+]1CCC(N2C[C@@H](NC/C(Cl)=C/c3ccccc3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000102706677 1064289147 /nfs/dbraw/zinc/28/91/47/1064289147.db2.gz ZTUKGEQPGWPZKN-LUEJTHLKSA-N 1 1 553.147 4.261 50 0 KIAAMO COc1ccc(C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(c5ccccn5)CC4)c3)CC2)c(OC)c1OC ZINC000102713237 1064288939 /nfs/dbraw/zinc/28/89/39/1064288939.db2.gz MIMAPKJJDQFDPW-UHFFFAOYSA-N 1 1 546.668 4.113 50 0 KIAAMO C[N@@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102713548 555018020 /nfs/dbraw/zinc/01/80/20/555018020.db2.gz CHYPOQVHPAPVJC-UHFFFAOYSA-N 1 1 536.723 4.314 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102736397 555026225 /nfs/dbraw/zinc/02/62/25/555026225.db2.gz QGHBNLFSCHGAGB-IOWSJCHKSA-N 1 1 554.735 4.244 50 0 KIAAMO Cc1cnn(CC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000102738185 555026903 /nfs/dbraw/zinc/02/69/03/555026903.db2.gz IQKVAPZKPPTNFS-SZPZYZBQSA-N 1 1 561.523 4.411 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102742546 555032045 /nfs/dbraw/zinc/03/20/45/555032045.db2.gz IKBPGWITJRNIKX-BJKOFHAPSA-N 1 1 579.660 4.078 50 0 KIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)N2[C@H]1c1cccc(F)c1 ZINC000102743637 555034396 /nfs/dbraw/zinc/03/43/96/555034396.db2.gz VEEPJBPOHJWWDI-MHZLTWQESA-N 1 1 534.657 4.351 50 0 KIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)N2[C@@H]1c1cccc(F)c1 ZINC000102743638 555034403 /nfs/dbraw/zinc/03/44/03/555034403.db2.gz VEEPJBPOHJWWDI-HHHXNRCGSA-N 1 1 534.657 4.351 50 0 KIAAMO Cc1cc(-c2c(C)nc3scc(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1cccc(F)c1 ZINC000102743658 555034457 /nfs/dbraw/zinc/03/44/57/555034457.db2.gz NCQJGNMZTBAWGK-UHFFFAOYSA-N 1 1 556.667 4.252 50 0 KIAAMO Cc1cc(-c2c(C)nc3scc(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1ccc(F)cc1 ZINC000102743664 555034418 /nfs/dbraw/zinc/03/44/18/555034418.db2.gz GLFHGVWJTQCXDR-UHFFFAOYSA-N 1 1 556.667 4.252 50 0 KIAAMO Cc1cc(-c2c(C)nc3scc(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1ccccc1 ZINC000102743668 555034477 /nfs/dbraw/zinc/03/44/77/555034477.db2.gz INPJAWUMLDXHMM-UHFFFAOYSA-N 1 1 538.677 4.112 50 0 KIAAMO Cc1cc(-c2c(C)nc3scc(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1ccccc1F ZINC000102743670 555034319 /nfs/dbraw/zinc/03/43/19/555034319.db2.gz GWDNQIANCNQZOW-UHFFFAOYSA-N 1 1 556.667 4.252 50 0 KIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1cccc(OC)c1 ZINC000102743677 555034425 /nfs/dbraw/zinc/03/44/25/555034425.db2.gz XOCBXDSCMMYDNC-MHZLTWQESA-N 1 1 532.666 4.178 50 0 KIAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102743680 555034725 /nfs/dbraw/zinc/03/47/25/555034725.db2.gz XOCBXDSCMMYDNC-HHHXNRCGSA-N 1 1 532.666 4.178 50 0 KIAAMO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1ccccc1 ZINC000102743701 555034715 /nfs/dbraw/zinc/03/47/15/555034715.db2.gz RDFCVWPDDAYREW-NDEPHWFRSA-N 1 1 546.693 4.186 50 0 KIAAMO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1ccccc1 ZINC000102743704 555034730 /nfs/dbraw/zinc/03/47/30/555034730.db2.gz RDFCVWPDDAYREW-MUUNZHRXSA-N 1 1 546.693 4.186 50 0 KIAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCOc3ccccc3)C2)cc1OC ZINC000102755492 555047576 /nfs/dbraw/zinc/04/75/76/555047576.db2.gz NNAJPRZXAYOUOO-RRPNLBNLSA-N 1 1 557.691 4.465 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cc(OC)ccc3Br)c2)CC1 ZINC000102769503 555056909 /nfs/dbraw/zinc/05/69/09/555056909.db2.gz GDDOABQRQZIYNP-GGAORHGYSA-N 1 1 634.575 4.273 50 0 KIAAMO COc1cccc(/C=C2\Oc3ccccc3N(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000102770495 555058019 /nfs/dbraw/zinc/05/80/19/555058019.db2.gz HJGNQUYYHPSYCR-USHMODERSA-N 1 1 547.055 4.054 50 0 KIAAMO Nc1nc(CNc2nc(C[NH+]3CCCCCC3)nc(Nc3ccc(F)cc3)n2)nc(Nc2ccc(F)cc2)n1 ZINC000102773697 555062147 /nfs/dbraw/zinc/06/21/47/555062147.db2.gz CGNSFBXXAWHBKG-UHFFFAOYSA-N 1 1 533.591 4.392 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102796314 555071709 /nfs/dbraw/zinc/07/17/09/555071709.db2.gz RYEQJOHRBYELFF-WUFINQPMSA-N 1 1 521.665 4.487 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2cnc[nH]2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102796314 555071706 /nfs/dbraw/zinc/07/17/06/555071706.db2.gz RYEQJOHRBYELFF-WUFINQPMSA-N 1 1 521.665 4.487 50 0 KIAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]cn2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102796314 555071704 /nfs/dbraw/zinc/07/17/04/555071704.db2.gz RYEQJOHRBYELFF-WUFINQPMSA-N 1 1 521.665 4.487 50 0 KIAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102811987 555075225 /nfs/dbraw/zinc/07/52/25/555075225.db2.gz HBERMDLRERBXHG-LJAQVGFWSA-N 1 1 569.649 4.227 50 0 KIAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102811989 555075356 /nfs/dbraw/zinc/07/53/56/555075356.db2.gz HBERMDLRERBXHG-GDLZYMKVSA-N 1 1 569.649 4.227 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000102824947 1064289192 /nfs/dbraw/zinc/28/91/92/1064289192.db2.gz LRCYPIDLOKGJCZ-LYBHJNIJSA-N 1 1 538.442 4.319 50 0 KIAAMO COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1 ZINC000102852708 555086238 /nfs/dbraw/zinc/08/62/38/555086238.db2.gz KBKSKAMJCRNMMK-NDEPHWFRSA-N 1 1 562.692 4.186 50 0 KIAAMO COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1 ZINC000102852710 555086271 /nfs/dbraw/zinc/08/62/71/555086271.db2.gz KBKSKAMJCRNMMK-MUUNZHRXSA-N 1 1 562.692 4.186 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000102852760 555086523 /nfs/dbraw/zinc/08/65/23/555086523.db2.gz NGEGYULKSZADAP-MUUNZHRXSA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1ccc(OC)cc1OC ZINC000102852762 555086578 /nfs/dbraw/zinc/08/65/78/555086578.db2.gz NGEGYULKSZADAP-NDEPHWFRSA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102852769 555086548 /nfs/dbraw/zinc/08/65/48/555086548.db2.gz OZGVYNZBQBCNAR-HHHXNRCGSA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc(OC)c1OC ZINC000102852770 555086509 /nfs/dbraw/zinc/08/65/09/555086509.db2.gz OZGVYNZBQBCNAR-MHZLTWQESA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000102852773 555086582 /nfs/dbraw/zinc/08/65/82/555086582.db2.gz DSHCYKDSGBFSCD-MUUNZHRXSA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000102852774 555086503 /nfs/dbraw/zinc/08/65/03/555086503.db2.gz DSHCYKDSGBFSCD-NDEPHWFRSA-N 1 1 562.692 4.143 50 0 KIAAMO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102852788 555086589 /nfs/dbraw/zinc/08/65/89/555086589.db2.gz QTJNLKZSHCQCKH-NDEPHWFRSA-N 1 1 562.692 4.408 50 0 KIAAMO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102852792 555086533 /nfs/dbraw/zinc/08/65/33/555086533.db2.gz QTJNLKZSHCQCKH-MUUNZHRXSA-N 1 1 562.692 4.408 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000102852834 555086518 /nfs/dbraw/zinc/08/65/18/555086518.db2.gz UJCDBKAWVPKXHH-MUUNZHRXSA-N 1 1 562.692 4.143 50 0 KIAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cc(OC)ccc1OC ZINC000102852835 555086592 /nfs/dbraw/zinc/08/65/92/555086592.db2.gz UJCDBKAWVPKXHH-NDEPHWFRSA-N 1 1 562.692 4.143 50 0 KIAAMO COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c(OC)c1 ZINC000102852840 555086575 /nfs/dbraw/zinc/08/65/75/555086575.db2.gz OVXGGGLQDIORBI-NDEPHWFRSA-N 1 1 562.692 4.186 50 0 KIAAMO COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c(OC)c1 ZINC000102852844 555086514 /nfs/dbraw/zinc/08/65/14/555086514.db2.gz OVXGGGLQDIORBI-MUUNZHRXSA-N 1 1 562.692 4.186 50 0 KIAAMO COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1OC ZINC000102852898 555086539 /nfs/dbraw/zinc/08/65/39/555086539.db2.gz PZVHQCGSKABHHR-MHZLTWQESA-N 1 1 562.692 4.186 50 0 KIAAMO COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1OC ZINC000102852900 555086500 /nfs/dbraw/zinc/08/65/00/555086500.db2.gz PZVHQCGSKABHHR-HHHXNRCGSA-N 1 1 562.692 4.186 50 0 KIAAMO COc1cc(OC)cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1 ZINC000102852912 555086568 /nfs/dbraw/zinc/08/65/68/555086568.db2.gz ZQDFUYMWTPZISI-NDEPHWFRSA-N 1 1 562.692 4.186 50 0 KIAAMO COc1cc(OC)cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1 ZINC000102852916 555086785 /nfs/dbraw/zinc/08/67/85/555086785.db2.gz ZQDFUYMWTPZISI-MUUNZHRXSA-N 1 1 562.692 4.186 50 0 KIAAMO Cc1ccccc1Nc1nc(N)nc(CN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000102892611 555128993 /nfs/dbraw/zinc/12/89/93/555128993.db2.gz XCHGFCDJSAJLJV-UHFFFAOYSA-N 1 1 624.798 4.362 50 0 KIAAMO O=C(c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103002100 555201668 /nfs/dbraw/zinc/20/16/68/555201668.db2.gz KTFNOBHCNCZKKM-UHFFFAOYSA-N 1 1 595.165 4.178 50 0 KIAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1C(F)(F)F)n2CCC[NH+]1CCOCC1)N1CCOCC1 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555352110 /nfs/dbraw/zinc/35/21/10/555352110.db2.gz AJDBXTYWHFJLGY-SANMLTNESA-N 1 1 520.630 4.308 50 0 KIAAMO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2F)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103282896 555351904 /nfs/dbraw/zinc/35/19/04/555351904.db2.gz AJDBXTYWHFJLGY-AREMUKBSSA-N 1 1 520.630 4.308 50 0 KIAAMO CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103296693 555354843 /nfs/dbraw/zinc/35/48/43/555354843.db2.gz BTDQBUUHFJKXHX-DEOSSOPVSA-N 1 1 508.669 4.231 50 0 KIAAMO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103296696 555354796 /nfs/dbraw/zinc/35/47/96/555354796.db2.gz BTDQBUUHFJKXHX-XMMPIXPASA-N 1 1 508.669 4.231 50 0 KIAAMO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)cc1 ZINC000103298823 555355076 /nfs/dbraw/zinc/35/50/76/555355076.db2.gz DRCBVUPTKMHJEM-UHFFFAOYSA-N 1 1 543.759 4.282 50 0 KIAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000103304044 555356049 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ZINC000103314630 555358397 /nfs/dbraw/zinc/35/83/97/555358397.db2.gz WXJSZXSDKKKIDU-AREMUKBSSA-N 1 1 583.776 4.357 50 0 KIAAMO Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2=O)cc1 ZINC000103372402 555367609 /nfs/dbraw/zinc/36/76/09/555367609.db2.gz WOCMXKZPNLIDCK-UHFFFAOYSA-N 1 1 539.592 4.193 50 0 KIAAMO O=C(COCc1ccccc1)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103431772 555413566 /nfs/dbraw/zinc/41/35/66/555413566.db2.gz KKXRGAKYBPAMSR-WJOKGBTCSA-N 1 1 586.733 4.129 50 0 KIAAMO O=C(COCc1ccccc1)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103431774 555413559 /nfs/dbraw/zinc/41/35/59/555413559.db2.gz KKXRGAKYBPAMSR-HKBQPEDESA-N 1 1 586.733 4.129 50 0 KIAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccnc4)n3-c3ccccc3OC)c2)CC1 ZINC000103484599 555420978 /nfs/dbraw/zinc/42/09/78/555420978.db2.gz OZFVRLRANRSOOH-UHFFFAOYSA-N 1 1 514.655 4.408 50 0 KIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000103529186 555429782 /nfs/dbraw/zinc/42/97/82/555429782.db2.gz UTQFEYHQIFMLLP-PCRNJTJGSA-N 1 1 567.642 4.289 50 0 KIAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000103529197 555429964 /nfs/dbraw/zinc/42/99/64/555429964.db2.gz UTQFEYHQIFMLLP-BVMBMWEFSA-N 1 1 567.642 4.289 50 0 KIAAMO COc1cc(CC2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 ZINC000103549654 555442666 /nfs/dbraw/zinc/44/26/66/555442666.db2.gz GVHJDNIENNIFTN-JOCHJYFZSA-N 1 1 601.700 4.490 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000103725495 555465306 /nfs/dbraw/zinc/46/53/06/555465306.db2.gz UGVTUYRMSYDGJI-QOMWVZHYSA-N 1 1 560.054 4.395 50 0 KIAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NC(=O)c1ccc(F)cc1 ZINC000103725507 555465339 /nfs/dbraw/zinc/46/53/39/555465339.db2.gz MKULNAFNQFKOAO-SWKFRHMKSA-N 1 1 621.669 4.394 50 0 KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000104111320 571374071 /nfs/dbraw/zinc/37/40/71/571374071.db2.gz YAONODVEIISWDZ-SCNFEJEJSA-N 1 1 567.642 4.289 50 0 KIAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000104111334 571374129 /nfs/dbraw/zinc/37/41/29/571374129.db2.gz YAONODVEIISWDZ-HUVBXKCFSA-N 1 1 567.642 4.289 50 0 KIAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000104147825 571375229 /nfs/dbraw/zinc/37/52/29/571375229.db2.gz MZUZKIUPPMKQBW-QJTKOPTISA-N 1 1 560.695 4.278 50 0 KIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2c(F)cccc2F)C1 ZINC000104765973 571385884 /nfs/dbraw/zinc/38/58/84/571385884.db2.gz INYTZFBTLRHGKR-RVFQGNMQSA-N 1 1 551.432 4.409 50 0 KIAAMO 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CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010479 571389305 /nfs/dbraw/zinc/38/93/05/571389305.db2.gz WFNQWLXADSDNHK-ATIYNZHBSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010483 571389342 /nfs/dbraw/zinc/38/93/42/571389342.db2.gz WFNQWLXADSDNHK-BKMJKUGQSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010483 571389341 /nfs/dbraw/zinc/38/93/41/571389341.db2.gz WFNQWLXADSDNHK-BKMJKUGQSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010531 571389349 /nfs/dbraw/zinc/38/93/49/571389349.db2.gz XHDLEYXRQBELSB-QFQXNSOFSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010531 571389348 /nfs/dbraw/zinc/38/93/48/571389348.db2.gz XHDLEYXRQBELSB-QFQXNSOFSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010535 571389270 /nfs/dbraw/zinc/38/92/70/571389270.db2.gz XHDLEYXRQBELSB-HFZDXXHNSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010535 571389268 /nfs/dbraw/zinc/38/92/68/571389268.db2.gz XHDLEYXRQBELSB-HFZDXXHNSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012320 571389337 /nfs/dbraw/zinc/38/93/37/571389337.db2.gz CZZTWJLDTYKZIE-QFQXNSOFSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012320 571389336 /nfs/dbraw/zinc/38/93/36/571389336.db2.gz CZZTWJLDTYKZIE-QFQXNSOFSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012325 571389400 /nfs/dbraw/zinc/38/94/00/571389400.db2.gz CZZTWJLDTYKZIE-HFZDXXHNSA-N 1 1 507.631 4.273 50 0 KIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)C1 ZINC000105012325 571389399 /nfs/dbraw/zinc/38/93/99/571389399.db2.gz CZZTWJLDTYKZIE-HFZDXXHNSA-N 1 1 507.631 4.273 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000105059445 571390501 /nfs/dbraw/zinc/39/05/01/571390501.db2.gz LFSIPINOYSTNOO-KMRXNPHXSA-N 1 1 503.668 4.386 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000105059445 571390500 /nfs/dbraw/zinc/39/05/00/571390500.db2.gz LFSIPINOYSTNOO-KMRXNPHXSA-N 1 1 503.668 4.386 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000105060173 571390498 /nfs/dbraw/zinc/39/04/98/571390498.db2.gz IKIYHGASBVNJMM-ZTOMLWHTSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000105060173 571390497 /nfs/dbraw/zinc/39/04/97/571390497.db2.gz IKIYHGASBVNJMM-ZTOMLWHTSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000105060179 571390781 /nfs/dbraw/zinc/39/07/81/571390781.db2.gz LFOLOQPTGSDQDL-MMTVBGGISA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000105060179 571390780 /nfs/dbraw/zinc/39/07/80/571390780.db2.gz LFOLOQPTGSDQDL-MMTVBGGISA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000105060340 571390708 /nfs/dbraw/zinc/39/07/08/571390708.db2.gz GFPNVRUITGINDD-PIKZIKFNSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060442 571390752 /nfs/dbraw/zinc/39/07/52/571390752.db2.gz JHIRAXCFJFOOGW-PIKZIKFNSA-N 1 1 531.678 4.496 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060723 571390679 /nfs/dbraw/zinc/39/06/79/571390679.db2.gz MQQKNYPCXMMLED-HRFSGMKKSA-N 1 1 517.651 4.106 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)c1 ZINC000105061007 571390796 /nfs/dbraw/zinc/39/07/96/571390796.db2.gz QKUAYPIHXTZSJR-LGGPFLRQSA-N 1 1 533.694 4.394 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)c1 ZINC000105061007 571390795 /nfs/dbraw/zinc/39/07/95/571390795.db2.gz QKUAYPIHXTZSJR-LGGPFLRQSA-N 1 1 533.694 4.394 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000105061020 571390808 /nfs/dbraw/zinc/39/08/08/571390808.db2.gz SNVBROXDJJNKSC-LGGPFLRQSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000105061020 571390807 /nfs/dbraw/zinc/39/08/07/571390807.db2.gz SNVBROXDJJNKSC-LGGPFLRQSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@@H](C)C1 ZINC000105061030 571390853 /nfs/dbraw/zinc/39/08/53/571390853.db2.gz GAYVMSLAYRWYAV-JHOBJCJYSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@@H](C)C1 ZINC000105061030 571390852 /nfs/dbraw/zinc/39/08/52/571390852.db2.gz GAYVMSLAYRWYAV-JHOBJCJYSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000105061311 571390987 /nfs/dbraw/zinc/39/09/87/571390987.db2.gz GULQGEAZBYHNJZ-DFHRPNOPSA-N 1 1 503.668 4.142 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000105061437 571391045 /nfs/dbraw/zinc/39/10/45/571391045.db2.gz VGEXOGXIAHRGMT-WHLCRQNOSA-N 1 1 535.641 4.327 50 0 KIAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061533 571391039 /nfs/dbraw/zinc/39/10/39/571391039.db2.gz IFHWSOGJJCARTE-AMGIVPHBSA-N 1 1 523.724 4.316 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000105062162 571391008 /nfs/dbraw/zinc/39/10/08/571391008.db2.gz WLWFIFVPRGEBMO-NFQMXDRXSA-N 1 1 527.687 4.146 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000105074065 562825135 /nfs/dbraw/zinc/82/51/35/562825135.db2.gz QEVHRUUCFGRFIF-LSEYOPQVSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000105074065 562825134 /nfs/dbraw/zinc/82/51/34/562825134.db2.gz QEVHRUUCFGRFIF-LSEYOPQVSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COCC(C)C)CC2CC2)c1 ZINC000105750848 571408401 /nfs/dbraw/zinc/40/84/01/571408401.db2.gz KELSOSNTOYLBPG-BVAGGSTKSA-N 1 1 500.705 4.307 50 0 KIAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000107176723 571419775 /nfs/dbraw/zinc/41/97/75/571419775.db2.gz BGHVDJNBCWPPKQ-HCWCBTOOSA-N 1 1 503.908 4.407 50 0 KIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449059 571424520 /nfs/dbraw/zinc/42/45/20/571424520.db2.gz FTQODULAWMAJLG-KHGZIGHDSA-N 1 1 608.780 4.290 50 0 biogenic KIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449062 571424511 /nfs/dbraw/zinc/42/45/11/571424511.db2.gz FTQODULAWMAJLG-WSHBGFIESA-N 1 1 608.780 4.290 50 0 biogenic KIAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449202 571424746 /nfs/dbraw/zinc/42/47/46/571424746.db2.gz VVCGRGQKWMWBRY-LJAQVGFWSA-N 1 1 628.770 4.400 50 0 biogenic KIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000108522716 571425972 /nfs/dbraw/zinc/42/59/72/571425972.db2.gz SKXQXIIXECXLBA-HNFJUSDZSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000108522716 571425971 /nfs/dbraw/zinc/42/59/71/571425971.db2.gz SKXQXIIXECXLBA-HNFJUSDZSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000108522719 571425949 /nfs/dbraw/zinc/42/59/49/571425949.db2.gz SKXQXIIXECXLBA-CMSZEEODSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000108522719 571425948 /nfs/dbraw/zinc/42/59/48/571425948.db2.gz SKXQXIIXECXLBA-CMSZEEODSA-N 1 1 542.517 4.245 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12 ZINC000108523044 571426124 /nfs/dbraw/zinc/42/61/24/571426124.db2.gz OTWZTZMEAKWNJW-HNFJUSDZSA-N 1 1 544.533 4.395 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000108523062 571426131 /nfs/dbraw/zinc/42/61/31/571426131.db2.gz HEGGIEGNTDBFHB-HNFJUSDZSA-N 1 1 544.533 4.395 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000108523127 571426175 /nfs/dbraw/zinc/42/61/75/571426175.db2.gz DWSDQLORCCXDMZ-SODQHWRNSA-N 1 1 525.008 4.338 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000108523135 571426189 /nfs/dbraw/zinc/42/61/89/571426189.db2.gz DWSDQLORCCXDMZ-YDXRHMNESA-N 1 1 525.008 4.338 50 0 KIAAMO COc1ccccc1COC[C@@H]1C[NH+]([C@H](C)[C@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000109044621 571428146 /nfs/dbraw/zinc/42/81/46/571428146.db2.gz IIQBIPLUGYXCJX-XNVGKWMQSA-N 1 1 537.653 4.334 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000135850888 562831084 /nfs/dbraw/zinc/83/10/84/562831084.db2.gz QEVHRUUCFGRFIF-CJUMMOAESA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000135850888 562831083 /nfs/dbraw/zinc/83/10/83/562831083.db2.gz QEVHRUUCFGRFIF-CJUMMOAESA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO C[N@H+]1C2(c3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000136000081 571449032 /nfs/dbraw/zinc/44/90/32/571449032.db2.gz CVXAESRWEMSDTL-LXWBOOKASA-N 1 1 553.618 4.348 50 0 KIAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000136620700 571449677 /nfs/dbraw/zinc/44/96/77/571449677.db2.gz HWDPFJYBEWFTIK-VKDGWMQASA-N 1 1 503.908 4.204 50 0 KIAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1nccs1 ZINC000137083350 571450212 /nfs/dbraw/zinc/45/02/12/571450212.db2.gz OPUQLYKLNWGSMI-UHFFFAOYSA-N 1 1 555.129 4.450 50 0 KIAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390579 571472842 /nfs/dbraw/zinc/47/28/42/571472842.db2.gz DXZXXARRGIATGD-WJOKGBTCSA-N 1 1 643.810 4.411 50 0 KIAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390580 571472900 /nfs/dbraw/zinc/47/29/00/571472900.db2.gz DXZXXARRGIATGD-HKBQPEDESA-N 1 1 643.810 4.411 50 0 KIAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390582 571472837 /nfs/dbraw/zinc/47/28/37/571472837.db2.gz JHQIALRVKWPAGN-WJOKGBTCSA-N 1 1 643.810 4.411 50 0 KIAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390584 571472792 /nfs/dbraw/zinc/47/27/92/571472792.db2.gz JHQIALRVKWPAGN-HKBQPEDESA-N 1 1 643.810 4.411 50 0 KIAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414298 571485006 /nfs/dbraw/zinc/48/50/06/571485006.db2.gz UHQRFEHZKJWIPE-HKBQPEDESA-N 1 1 643.810 4.411 50 0 KIAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414302 571484862 /nfs/dbraw/zinc/48/48/62/571484862.db2.gz UHQRFEHZKJWIPE-WJOKGBTCSA-N 1 1 643.810 4.411 50 0 KIAAMO CCn1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000150427657 571491788 /nfs/dbraw/zinc/49/17/88/571491788.db2.gz NRGUGJNIJJCOTG-UHFFFAOYSA-N 1 1 648.229 4.364 50 0 KIAAMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000150662448 571527879 /nfs/dbraw/zinc/52/78/79/571527879.db2.gz PYYLUPQQQNZLDO-LAFLMMDJSA-N 1 1 636.742 4.490 50 0 KIAAMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000150662448 571527878 /nfs/dbraw/zinc/52/78/78/571527878.db2.gz PYYLUPQQQNZLDO-LAFLMMDJSA-N 1 1 636.742 4.490 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000169373234 562864884 /nfs/dbraw/zinc/86/48/84/562864884.db2.gz QEVHRUUCFGRFIF-TXTYYTKJSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000169373234 562864883 /nfs/dbraw/zinc/86/48/83/562864883.db2.gz QEVHRUUCFGRFIF-TXTYYTKJSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(c3ccccc3)[NH2+]C2(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169615920 571553455 /nfs/dbraw/zinc/55/34/55/571553455.db2.gz NYSXYSXXXWIYGC-UHQUIJLOSA-N 1 1 539.591 4.006 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677141 571554625 /nfs/dbraw/zinc/55/46/25/571554625.db2.gz LMPZCMDQSFAHCG-RBISFHTESA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677141 571554622 /nfs/dbraw/zinc/55/46/22/571554622.db2.gz LMPZCMDQSFAHCG-RBISFHTESA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677142 571554574 /nfs/dbraw/zinc/55/45/74/571554574.db2.gz LMPZCMDQSFAHCG-DWACAAAGSA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169677142 571554573 /nfs/dbraw/zinc/55/45/73/571554573.db2.gz LMPZCMDQSFAHCG-DWACAAAGSA-N 1 1 502.684 4.447 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@@H](C)C1 ZINC000169677143 571554498 /nfs/dbraw/zinc/55/44/98/571554498.db2.gz GAYVMSLAYRWYAV-YUDQIZAISA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)[C@@H](C)C1 ZINC000169677143 571554497 /nfs/dbraw/zinc/55/44/97/571554497.db2.gz GAYVMSLAYRWYAV-YUDQIZAISA-N 1 1 517.695 4.280 50 0 KIAAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677245 571554803 /nfs/dbraw/zinc/55/48/03/571554803.db2.gz JZTBXLQQJINUHG-RSXGOPAZSA-N 1 1 510.560 4.159 50 0 KIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677247 571554787 /nfs/dbraw/zinc/55/47/87/571554787.db2.gz BOEOAFQZTJGXQW-VPUSJEBWSA-N 1 1 524.587 4.201 50 0 KIAAMO O=C(NCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677288 571554870 /nfs/dbraw/zinc/55/48/70/571554870.db2.gz GMQYUOSCHCNZFI-RSXGOPAZSA-N 1 1 510.560 4.159 50 0 KIAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C1 ZINC000169677289 571554720 /nfs/dbraw/zinc/55/47/20/571554720.db2.gz BFCWPGKVBAACHU-RMXYQJDTSA-N 1 1 559.629 4.249 50 0 KIAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C1 ZINC000169677291 571554728 /nfs/dbraw/zinc/55/47/28/571554728.db2.gz BFCWPGKVBAACHU-UDZXTKBFSA-N 1 1 559.629 4.249 50 0 KIAAMO COc1cccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000169677361 571555178 /nfs/dbraw/zinc/55/51/78/571555178.db2.gz FHLPMLUUPLLEOI-RBTNQOKQSA-N 1 1 503.668 4.467 50 0 KIAAMO COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677603 571555039 /nfs/dbraw/zinc/55/50/39/571555039.db2.gz ZBCQQZFUUBIYLQ-PXJZQJOASA-N 1 1 503.618 4.065 50 0 KIAAMO COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677605 571555046 /nfs/dbraw/zinc/55/50/46/571555046.db2.gz ZBCQQZFUUBIYLQ-YTMVLYRLSA-N 1 1 503.618 4.065 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000169677712 571555376 /nfs/dbraw/zinc/55/53/76/571555376.db2.gz LFSIPINOYSTNOO-RBTNQOKQSA-N 1 1 503.668 4.386 50 0 KIAAMO COc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(C)cc2)C[C@@H]1C ZINC000169677712 571555375 /nfs/dbraw/zinc/55/53/75/571555375.db2.gz LFSIPINOYSTNOO-RBTNQOKQSA-N 1 1 503.668 4.386 50 0 KIAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677727 571555345 /nfs/dbraw/zinc/55/53/45/571555345.db2.gz NXKQCAHDPXTDNM-VPUSJEBWSA-N 1 1 508.588 4.365 50 0 KIAAMO CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)CC1 ZINC000169677762 571555393 /nfs/dbraw/zinc/55/53/93/571555393.db2.gz FZXGDMNCXSYXIG-VWNXMTODSA-N 1 1 507.597 4.113 50 0 KIAAMO CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)CC1 ZINC000169677763 571555407 /nfs/dbraw/zinc/55/54/07/571555407.db2.gz FZXGDMNCXSYXIG-UPVQGACJSA-N 1 1 507.597 4.113 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000169677822 571555382 /nfs/dbraw/zinc/55/53/82/571555382.db2.gz IKIYHGASBVNJMM-PZGXJGMVSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000169677822 571555381 /nfs/dbraw/zinc/55/53/81/571555381.db2.gz IKIYHGASBVNJMM-PZGXJGMVSA-N 1 1 503.668 4.142 50 0 KIAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000169677857 571555335 /nfs/dbraw/zinc/55/53/35/571555335.db2.gz ZYVXIIDVLGZARP-BQQUOAEZSA-N 1 1 509.647 4.004 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COCC(C)C)CC2CC2)c1 ZINC000169677965 571555578 /nfs/dbraw/zinc/55/55/78/571555578.db2.gz KELSOSNTOYLBPG-ZEQKJWHPSA-N 1 1 500.705 4.307 50 0 KIAAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000169678038 571555638 /nfs/dbraw/zinc/55/56/38/571555638.db2.gz FOOAQQLGYDPMKP-MGAFBPAPSA-N 1 1 517.592 4.083 50 0 KIAAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000169678039 571555584 /nfs/dbraw/zinc/55/55/84/571555584.db2.gz FOOAQQLGYDPMKP-WNBHKESASA-N 1 1 517.592 4.083 50 0 KIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000169678352 571555549 /nfs/dbraw/zinc/55/55/49/571555549.db2.gz HLXWXFBESWLDCV-PXDATVDWSA-N 1 1 516.635 4.275 50 0 KIAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@@H](O)CN1CCOCC1 ZINC000169678879 571556062 /nfs/dbraw/zinc/55/60/62/571556062.db2.gz DMNYJWCUXZEXRW-KCWPFWIISA-N 1 1 504.675 4.198 50 0 KIAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@@H](O)CN1CCOCC1 ZINC000169678880 571556130 /nfs/dbraw/zinc/55/61/30/571556130.db2.gz DMNYJWCUXZEXRW-HOFKKMOUSA-N 1 1 504.675 4.198 50 0 KIAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CN1CCOCC1 ZINC000169678882 571556106 /nfs/dbraw/zinc/55/61/06/571556106.db2.gz ACXDRPGALHLUCP-RDGATRHJSA-N 1 1 508.663 4.275 50 0 KIAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)CN1CCOCC1 ZINC000169678883 571556093 /nfs/dbraw/zinc/55/60/93/571556093.db2.gz ACXDRPGALHLUCP-DHLKQENFSA-N 1 1 508.663 4.275 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000169679483 571556386 /nfs/dbraw/zinc/55/63/86/571556386.db2.gz VFMHTKWLVLLOLE-YIXXDRMTSA-N 1 1 506.668 4.466 50 0 KIAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000169679483 571556383 /nfs/dbraw/zinc/55/63/83/571556383.db2.gz VFMHTKWLVLLOLE-YIXXDRMTSA-N 1 1 506.668 4.466 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)c1 ZINC000169680788 571556950 /nfs/dbraw/zinc/55/69/50/571556950.db2.gz QKUAYPIHXTZSJR-KCWXNJEJSA-N 1 1 533.694 4.394 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)c1 ZINC000169680788 571556949 /nfs/dbraw/zinc/55/69/49/571556949.db2.gz QKUAYPIHXTZSJR-KCWXNJEJSA-N 1 1 533.694 4.394 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000169680844 571556907 /nfs/dbraw/zinc/55/69/07/571556907.db2.gz LFOLOQPTGSDQDL-WTYVLRPYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000169680844 571556906 /nfs/dbraw/zinc/55/69/06/571556906.db2.gz LFOLOQPTGSDQDL-WTYVLRPYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680849 571556988 /nfs/dbraw/zinc/55/69/88/571556988.db2.gz FUJWESSXKQZPJU-YUDQIZAISA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680849 571556986 /nfs/dbraw/zinc/55/69/86/571556986.db2.gz FUJWESSXKQZPJU-YUDQIZAISA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680850 571556879 /nfs/dbraw/zinc/55/68/79/571556879.db2.gz FUJWESSXKQZPJU-JHOBJCJYSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680850 571556877 /nfs/dbraw/zinc/55/68/77/571556877.db2.gz FUJWESSXKQZPJU-JHOBJCJYSA-N 1 1 517.695 4.280 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169680877 571557346 /nfs/dbraw/zinc/55/73/46/571557346.db2.gz CRJGUFAUKYLYAE-WTYVLRPYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169680877 571557345 /nfs/dbraw/zinc/55/73/45/571557345.db2.gz CRJGUFAUKYLYAE-WTYVLRPYSA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169680878 571557293 /nfs/dbraw/zinc/55/72/93/571557293.db2.gz CRJGUFAUKYLYAE-MMTVBGGISA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000169680878 571557291 /nfs/dbraw/zinc/55/72/91/571557291.db2.gz CRJGUFAUKYLYAE-MMTVBGGISA-N 1 1 517.651 4.106 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680902 571557122 /nfs/dbraw/zinc/55/71/22/571557122.db2.gz UFMZODLPJYATPG-PZGXJGMVSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680902 571557120 /nfs/dbraw/zinc/55/71/20/571557120.db2.gz UFMZODLPJYATPG-PZGXJGMVSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680903 571557328 /nfs/dbraw/zinc/55/73/28/571557328.db2.gz UFMZODLPJYATPG-ZTOMLWHTSA-N 1 1 503.668 4.142 50 0 KIAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680903 571557327 /nfs/dbraw/zinc/55/73/27/571557327.db2.gz UFMZODLPJYATPG-ZTOMLWHTSA-N 1 1 503.668 4.142 50 0 KIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169681042 571557424 /nfs/dbraw/zinc/55/74/24/571557424.db2.gz RJFMPNNVDBXCAH-AOYPEHQESA-N 1 1 508.684 4.461 50 0 KIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000169681974 571557704 /nfs/dbraw/zinc/55/77/04/571557704.db2.gz GKBQNCWOXQEVFM-PXDATVDWSA-N 1 1 516.635 4.273 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000169681992 571557796 /nfs/dbraw/zinc/55/77/96/571557796.db2.gz SNVBROXDJJNKSC-KCWXNJEJSA-N 1 1 505.659 4.445 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000169681992 571557795 /nfs/dbraw/zinc/55/77/95/571557795.db2.gz SNVBROXDJJNKSC-KCWXNJEJSA-N 1 1 505.659 4.445 50 0 KIAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000169769839 571560039 /nfs/dbraw/zinc/56/00/39/571560039.db2.gz VRACALNQPUJABJ-XFDCLTQUSA-N 1 1 553.700 4.116 50 0 KIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169774570 571560204 /nfs/dbraw/zinc/56/02/04/571560204.db2.gz UXJUIVILUHYBDS-FQNJNTOFSA-N 1 1 505.659 4.311 50 0 KIAAMO COc1ccccc1COC[C@@H]1C[NH+]([C@H](C)[C@@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000195529439 571563460 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ZINC000245236615 572210672 /nfs/dbraw/zinc/21/06/72/572210672.db2.gz UXJUIVILUHYBDS-MHWRTBLVSA-N 1 1 505.659 4.311 50 0 KIAAMO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@H]43)cc2)cc1 ZINC000245237233 562881508 /nfs/dbraw/zinc/88/15/08/562881508.db2.gz GTPVVSLQHUGVDB-LMSSTIIKSA-N 1 1 549.693 4.432 50 0 KIAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000245240442 572214094 /nfs/dbraw/zinc/21/40/94/572214094.db2.gz SKXQXIIXECXLBA-SEAFADMZSA-N 1 1 542.517 4.245 50 0 KIAAMO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000245240442 572214090 /nfs/dbraw/zinc/21/40/90/572214090.db2.gz SKXQXIIXECXLBA-SEAFADMZSA-N 1 1 542.517 4.245 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000245240574 562881529 /nfs/dbraw/zinc/88/15/29/562881529.db2.gz QEVHRUUCFGRFIF-NRCOEUIDSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000245240574 562881528 /nfs/dbraw/zinc/88/15/28/562881528.db2.gz QEVHRUUCFGRFIF-NRCOEUIDSA-N 1 1 608.688 4.171 50 0 in-vitro KIAAMO C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000245240928 572214747 /nfs/dbraw/zinc/21/47/47/572214747.db2.gz VGINWNYPRYXBKV-CUICRBGCSA-N 1 1 514.751 4.153 50 0 KIAAMO C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000245240929 572214688 /nfs/dbraw/zinc/21/46/88/572214688.db2.gz VGINWNYPRYXBKV-DXAZDHJCSA-N 1 1 514.751 4.153 50 0 KIAAMO C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000245240930 572214669 /nfs/dbraw/zinc/21/46/69/572214669.db2.gz VGINWNYPRYXBKV-LNRHRSKRSA-N 1 1 514.751 4.153 50 0 KIAAMO C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000245240931 572214641 /nfs/dbraw/zinc/21/46/41/572214641.db2.gz VGINWNYPRYXBKV-OGXNLMOFSA-N 1 1 514.751 4.153 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245247144 572220257 /nfs/dbraw/zinc/22/02/57/572220257.db2.gz QJHZLUPCKCYQON-MZYVBUQCSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245247144 572220253 /nfs/dbraw/zinc/22/02/53/572220253.db2.gz QJHZLUPCKCYQON-MZYVBUQCSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245247146 572220292 /nfs/dbraw/zinc/22/02/92/572220292.db2.gz QJHZLUPCKCYQON-UOMSLYCOSA-N 1 1 500.382 4.050 50 0 KIAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245247146 572220287 /nfs/dbraw/zinc/22/02/87/572220287.db2.gz QJHZLUPCKCYQON-UOMSLYCOSA-N 1 1 500.382 4.050 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(Br)c1 ZINC000245247790 572221307 /nfs/dbraw/zinc/22/13/07/572221307.db2.gz XIOCTKZXZVYZIG-IPRDPGLQSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(Br)c1 ZINC000245247790 572221304 /nfs/dbraw/zinc/22/13/04/572221304.db2.gz XIOCTKZXZVYZIG-IPRDPGLQSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(Br)c1 ZINC000245247791 572221150 /nfs/dbraw/zinc/22/11/50/572221150.db2.gz XIOCTKZXZVYZIG-LUCIHVKJSA-N 1 1 514.807 4.151 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)c(Br)c1 ZINC000245247791 572221146 /nfs/dbraw/zinc/22/11/46/572221146.db2.gz XIOCTKZXZVYZIG-LUCIHVKJSA-N 1 1 514.807 4.151 50 0 KIAAMO CC(C)COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245289726 572226124 /nfs/dbraw/zinc/22/61/24/572226124.db2.gz DSJPFJDMBRTJES-RCZVLFRGSA-N 1 1 504.668 4.138 50 0 KIAAMO CC(C)COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245289727 572226312 /nfs/dbraw/zinc/22/63/12/572226312.db2.gz DSJPFJDMBRTJES-WIOPSUGQSA-N 1 1 504.668 4.138 50 0 KIAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000245289970 572226174 /nfs/dbraw/zinc/22/61/74/572226174.db2.gz GKBQNCWOXQEVFM-SQJMNOBHSA-N 1 1 516.635 4.273 50 0 KIAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000245309654 572227463 /nfs/dbraw/zinc/22/74/63/572227463.db2.gz DWSDQLORCCXDMZ-DNHJLFCISA-N 1 1 525.008 4.338 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000245310074 572228057 /nfs/dbraw/zinc/22/80/57/572228057.db2.gz HEGGIEGNTDBFHB-HGPRPZRGSA-N 1 1 544.533 4.395 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000245310747 572228568 /nfs/dbraw/zinc/22/85/68/572228568.db2.gz KJRURLOAUUGBQC-SODQHWRNSA-N 1 1 541.007 4.038 50 0 KIAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000245310750 572228787 /nfs/dbraw/zinc/22/87/87/572228787.db2.gz KJRURLOAUUGBQC-YDXRHMNESA-N 1 1 541.007 4.038 50 0 KIAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]21 ZINC000245311390 572229486 /nfs/dbraw/zinc/22/94/86/572229486.db2.gz OTWZTZMEAKWNJW-HGPRPZRGSA-N 1 1 544.533 4.395 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000245312796 572230116 /nfs/dbraw/zinc/23/01/16/572230116.db2.gz XGTAZIYDLPBMST-RPQPUBLWSA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000245312796 572230113 /nfs/dbraw/zinc/23/01/13/572230113.db2.gz XGTAZIYDLPBMST-RPQPUBLWSA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000245312797 572230413 /nfs/dbraw/zinc/23/04/13/572230413.db2.gz XGTAZIYDLPBMST-RZDWVWPCSA-N 1 1 567.443 4.297 50 0 KIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000245312797 572230411 /nfs/dbraw/zinc/23/04/11/572230411.db2.gz XGTAZIYDLPBMST-RZDWVWPCSA-N 1 1 567.443 4.297 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000245326145 572232434 /nfs/dbraw/zinc/23/24/34/572232434.db2.gz DJFPOBBNXZBAQO-WVXBCFDCSA-N 1 1 517.695 4.362 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000245326149 572232412 /nfs/dbraw/zinc/23/24/12/572232412.db2.gz DJFPOBBNXZBAQO-YUDQIZAISA-N 1 1 517.695 4.362 50 0 KIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000245328357 572234739 /nfs/dbraw/zinc/23/47/39/572234739.db2.gz NZBSVQLXLNPCKV-BWKNWUBXSA-N 1 1 533.555 4.146 50 0 KIAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245330649 572236460 /nfs/dbraw/zinc/23/64/60/572236460.db2.gz ZYVXIIDVLGZARP-RFLWCCGPSA-N 1 1 509.647 4.004 50 0 KIAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000245343239 572238150 /nfs/dbraw/zinc/23/81/50/572238150.db2.gz JHIRAXCFJFOOGW-LYZGTLIUSA-N 1 1 531.678 4.496 50 0 KIAAMO O=C(NCc1ccccc1)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1ccccc1F ZINC000247482728 572242392 /nfs/dbraw/zinc/24/23/92/572242392.db2.gz JOXOQNAVSAONLI-LXFBAYGMSA-N 1 1 506.574 4.299 50 0 KIAAMO O=C(NCc1ccccc1)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1ccccc1F ZINC000247482734 572242419 /nfs/dbraw/zinc/24/24/19/572242419.db2.gz JOXOQNAVSAONLI-QDPGVEIFSA-N 1 1 506.574 4.299 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247711898 572243557 /nfs/dbraw/zinc/24/35/57/572243557.db2.gz KDWDLAAEGRKSBO-NGSHPTGOSA-N 1 1 513.937 4.223 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247711898 572243556 /nfs/dbraw/zinc/24/35/56/572243556.db2.gz KDWDLAAEGRKSBO-NGSHPTGOSA-N 1 1 513.937 4.223 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247711904 572243514 /nfs/dbraw/zinc/24/35/14/572243514.db2.gz KDWDLAAEGRKSBO-VPBXCIAMSA-N 1 1 513.937 4.223 50 0 KIAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247711904 572243512 /nfs/dbraw/zinc/24/35/12/572243512.db2.gz KDWDLAAEGRKSBO-VPBXCIAMSA-N 1 1 513.937 4.223 50 0 KIAAMO Cn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000247721646 572243799 /nfs/dbraw/zinc/24/37/99/572243799.db2.gz BGIACLBEOWWAKU-UHFFFAOYSA-N 1 1 514.457 4.077 50 0 KIAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(C(=O)c5ccccc5)CC4)CC3)nc3ccccc32)cc1 ZINC000247894665 572248742 /nfs/dbraw/zinc/24/87/42/572248742.db2.gz OAXYUCOQYZLWTH-UHFFFAOYSA-N 1 1 551.691 4.290 50 0 KIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247914999 572249256 /nfs/dbraw/zinc/24/92/56/572249256.db2.gz VRHIDOVDSVDSIE-HHHXNRCGSA-N 1 1 551.691 4.290 50 0 KIAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(C(=O)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247915004 572249218 /nfs/dbraw/zinc/24/92/18/572249218.db2.gz VRHIDOVDSVDSIE-MHZLTWQESA-N 1 1 551.691 4.290 50 0 KIAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247945979 572250290 /nfs/dbraw/zinc/25/02/90/572250290.db2.gz QXOFAMBQNXLWFL-DEOSSOPVSA-N 1 1 525.628 4.361 50 0 KIAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247945985 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585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584535 572263972 /nfs/dbraw/zinc/26/39/72/572263972.db2.gz AVZOEHVBBRTTCC-FBAVTCSVSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584536 572263953 /nfs/dbraw/zinc/26/39/53/572263953.db2.gz AVZOEHVBBRTTCC-FQCPYFGVSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584537 572263960 /nfs/dbraw/zinc/26/39/60/572263960.db2.gz AVZOEHVBBRTTCC-JFIJJVSDSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584553 572263962 /nfs/dbraw/zinc/26/39/62/572263962.db2.gz BBAPFHPSQRJMQD-DZBNSXFVSA-N 1 1 582.811 4.170 50 0 KIAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584554 572263975 /nfs/dbraw/zinc/26/39/75/572263975.db2.gz BBAPFHPSQRJMQD-FBAVTCSVSA-N 1 1 582.811 4.170 50 0 KIAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584555 572263956 /nfs/dbraw/zinc/26/39/56/572263956.db2.gz BBAPFHPSQRJMQD-FQCPYFGVSA-N 1 1 582.811 4.170 50 0 KIAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584556 572263950 /nfs/dbraw/zinc/26/39/50/572263950.db2.gz BBAPFHPSQRJMQD-JFIJJVSDSA-N 1 1 582.811 4.170 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252585332 572264527 /nfs/dbraw/zinc/26/45/27/572264527.db2.gz HUJDOYWRMJZJBK-DZBNSXFVSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252585333 572264541 /nfs/dbraw/zinc/26/45/41/572264541.db2.gz HUJDOYWRMJZJBK-FBAVTCSVSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252585334 572264529 /nfs/dbraw/zinc/26/45/29/572264529.db2.gz HUJDOYWRMJZJBK-FQCPYFGVSA-N 1 1 585.189 4.492 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252585335 572264509 /nfs/dbraw/zinc/26/45/09/572264509.db2.gz HUJDOYWRMJZJBK-JFIJJVSDSA-N 1 1 585.189 4.492 50 0 KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585533 572264693 /nfs/dbraw/zinc/26/46/93/572264693.db2.gz JEFXBZJBOFRCTM-LBULEFPHSA-N 1 1 591.152 4.400 50 0 KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585534 572264712 /nfs/dbraw/zinc/26/47/12/572264712.db2.gz JEFXBZJBOFRCTM-QGTBSMAUSA-N 1 1 591.152 4.400 50 0 KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585999 572265094 /nfs/dbraw/zinc/26/50/94/572265094.db2.gz MUBWPBGYQQLPMB-LBULEFPHSA-N 1 1 591.152 4.400 50 0 KIAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586000 572265106 /nfs/dbraw/zinc/26/51/06/572265106.db2.gz MUBWPBGYQQLPMB-QGTBSMAUSA-N 1 1 591.152 4.400 50 0 KIAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586315 572265338 /nfs/dbraw/zinc/26/53/38/572265338.db2.gz PDYMRDSGTMGWTR-GATIYVRASA-N 1 1 577.125 4.010 50 0 KIAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586316 572265324 /nfs/dbraw/zinc/26/53/24/572265324.db2.gz PDYMRDSGTMGWTR-RAGMKYMYSA-N 1 1 577.125 4.010 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252586472 572265394 /nfs/dbraw/zinc/26/53/94/572265394.db2.gz QGTPYAFXZQQBLP-BFDLQSRTSA-N 1 1 601.586 4.109 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252586473 572265387 /nfs/dbraw/zinc/26/53/87/572265387.db2.gz QGTPYAFXZQQBLP-JHBWFYOTSA-N 1 1 601.586 4.109 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252586825 572265736 /nfs/dbraw/zinc/26/57/36/572265736.db2.gz SYVUIKRHYXTUEG-FIYUGZQASA-N 1 1 578.798 4.455 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252586826 572265727 /nfs/dbraw/zinc/26/57/27/572265727.db2.gz SYVUIKRHYXTUEG-IDZHWOMUSA-N 1 1 578.798 4.455 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252586827 572265738 /nfs/dbraw/zinc/26/57/38/572265738.db2.gz SYVUIKRHYXTUEG-OJVZJPQASA-N 1 1 578.798 4.455 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252586828 572265725 /nfs/dbraw/zinc/26/57/25/572265725.db2.gz SYVUIKRHYXTUEG-ROYUKQTRSA-N 1 1 578.798 4.455 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252586926 572265801 /nfs/dbraw/zinc/26/58/01/572265801.db2.gz UMVRXOKSMAWCGK-UHASXDTDSA-N 1 1 571.162 4.308 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252586927 572265783 /nfs/dbraw/zinc/26/57/83/572265783.db2.gz UMVRXOKSMAWCGK-YTXSASNOSA-N 1 1 571.162 4.308 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000252587416 572266172 /nfs/dbraw/zinc/26/61/72/572266172.db2.gz YCLKNZOVNSFVBS-CWPHAVIXSA-N 1 1 646.660 4.051 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000252587417 572266177 /nfs/dbraw/zinc/26/61/77/572266177.db2.gz YCLKNZOVNSFVBS-GARWBGNXSA-N 1 1 646.660 4.051 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000252587418 572266152 /nfs/dbraw/zinc/26/61/52/572266152.db2.gz YCLKNZOVNSFVBS-JAYFQMPYSA-N 1 1 646.660 4.051 50 0 KIAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000252587419 572266146 /nfs/dbraw/zinc/26/61/46/572266146.db2.gz YCLKNZOVNSFVBS-NFFHTTNPSA-N 1 1 646.660 4.051 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252587567 572266342 /nfs/dbraw/zinc/26/63/42/572266342.db2.gz ZGRFVVVGILZLPQ-BFDLQSRTSA-N 1 1 557.135 4.000 50 0 KIAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252587568 572266331 /nfs/dbraw/zinc/26/63/31/572266331.db2.gz ZGRFVVVGILZLPQ-JHBWFYOTSA-N 1 1 557.135 4.000 50 0 KIAAMO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000253370528 572282077 /nfs/dbraw/zinc/28/20/77/572282077.db2.gz RZEIKAMNYDJDNU-WBANQOEISA-N 1 1 511.066 4.274 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000253377922 572282440 /nfs/dbraw/zinc/28/24/40/572282440.db2.gz YPRLZUHIAOJZRD-CCLHPLFOSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000253377922 572282439 /nfs/dbraw/zinc/28/24/39/572282439.db2.gz YPRLZUHIAOJZRD-CCLHPLFOSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000253377923 572282443 /nfs/dbraw/zinc/28/24/43/572282443.db2.gz YPRLZUHIAOJZRD-NFQMXDRXSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000253377923 572282442 /nfs/dbraw/zinc/28/24/42/572282442.db2.gz YPRLZUHIAOJZRD-NFQMXDRXSA-N 1 1 519.667 4.086 50 0 KIAAMO COc1cccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)c1 ZINC000253388957 572283183 /nfs/dbraw/zinc/28/31/83/572283183.db2.gz FHLPMLUUPLLEOI-LYZGTLIUSA-N 1 1 503.668 4.467 50 0 KIAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389003 572283206 /nfs/dbraw/zinc/28/32/06/572283206.db2.gz UPJJZDPKNMGYGX-PIIWDFAUSA-N 1 1 517.651 4.188 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389004 572283114 /nfs/dbraw/zinc/28/31/14/572283114.db2.gz UPJJZDPKNMGYGX-WTYVLRPYSA-N 1 1 517.651 4.188 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389007 572283169 /nfs/dbraw/zinc/28/31/69/572283169.db2.gz VGEXOGXIAHRGMT-HMILPKGGSA-N 1 1 535.641 4.327 50 0 KIAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000253389011 572283123 /nfs/dbraw/zinc/28/31/23/572283123.db2.gz WLWFIFVPRGEBMO-CCLHPLFOSA-N 1 1 527.687 4.146 50 0 KIAAMO COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253398913 572284610 /nfs/dbraw/zinc/28/46/10/572284610.db2.gz CKFKUEGGLHYYPL-PZFKOMAXSA-N 1 1 668.743 4.386 50 0 KIAAMO COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253398913 572284609 /nfs/dbraw/zinc/28/46/09/572284609.db2.gz CKFKUEGGLHYYPL-PZFKOMAXSA-N 1 1 668.743 4.386 50 0 KIAAMO COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253398914 572284748 /nfs/dbraw/zinc/28/47/48/572284748.db2.gz CKFKUEGGLHYYPL-QXGAZULMSA-N 1 1 668.743 4.386 50 0 KIAAMO COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000253398914 572284747 /nfs/dbraw/zinc/28/47/47/572284747.db2.gz CKFKUEGGLHYYPL-QXGAZULMSA-N 1 1 668.743 4.386 50 0 KIAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000253405495 572286226 /nfs/dbraw/zinc/28/62/26/572286226.db2.gz IIFNIWBDRVWYBE-WMZHIEFXSA-N 1 1 508.659 4.487 50 0 KIAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000253406259 572286193 /nfs/dbraw/zinc/28/61/93/572286193.db2.gz IUKQBHVJNAILJM-DWJZLWSHSA-N 1 1 560.695 4.322 50 0 KIAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253406268 572286275 /nfs/dbraw/zinc/28/62/75/572286275.db2.gz IUKQBHVJNAILJM-UATYFYBVSA-N 1 1 560.695 4.322 50 0 KIAAMO COc1cc(-n2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc(OC)c1OC ZINC000253411099 572287524 /nfs/dbraw/zinc/28/75/24/572287524.db2.gz OEUOJKGINDTLAY-NBGIEHNGSA-N 1 1 519.642 4.353 50 0 KIAAMO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000253412113 572287802 /nfs/dbraw/zinc/28/78/02/572287802.db2.gz PXMONAWJWHQDRQ-PBQRSMNISA-N 1 1 608.780 4.290 50 0 KIAAMO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000253412114 572287857 /nfs/dbraw/zinc/28/78/57/572287857.db2.gz PXMONAWJWHQDRQ-SZYXXZQDSA-N 1 1 608.780 4.290 50 0 KIAAMO COc1cc(-n2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc(OC)c1OC ZINC000253413840 572288689 /nfs/dbraw/zinc/28/86/89/572288689.db2.gz VUVOIHLTKVXSAA-YADARESESA-N 1 1 505.615 4.011 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000257358435 572322104 /nfs/dbraw/zinc/32/21/04/572322104.db2.gz ULBNWNUHGJLQHO-JKTOPKBDSA-N 1 1 608.688 4.171 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000257358435 572322103 /nfs/dbraw/zinc/32/21/03/572322103.db2.gz ULBNWNUHGJLQHO-JKTOPKBDSA-N 1 1 608.688 4.171 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000257358436 572322119 /nfs/dbraw/zinc/32/21/19/572322119.db2.gz ULBNWNUHGJLQHO-ULSVGEBOSA-N 1 1 608.688 4.171 50 0 KIAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000257358436 572322118 /nfs/dbraw/zinc/32/21/18/572322118.db2.gz ULBNWNUHGJLQHO-ULSVGEBOSA-N 1 1 608.688 4.171 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000263585359 572118024 /nfs/dbraw/zinc/11/80/24/572118024.db2.gz HTVSEEYRDMQEOO-SWWRHANQSA-N 1 1 604.748 4.338 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000263585360 572118197 /nfs/dbraw/zinc/11/81/97/572118197.db2.gz HTVSEEYRDMQEOO-YSGOPFFRSA-N 1 1 604.748 4.338 50 0 KIAAMO COc1ccc(C[NH+]2CCC(NC(=O)CNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1OC ZINC000263585581 572119060 /nfs/dbraw/zinc/11/90/60/572119060.db2.gz KHNWKOHJUWEBEC-NDEPHWFRSA-N 1 1 674.795 4.073 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263585715 572119694 /nfs/dbraw/zinc/11/96/94/572119694.db2.gz LOPBFDPNHJCGBR-AVUDXFIYSA-N 1 1 519.686 4.345 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263585716 572119858 /nfs/dbraw/zinc/11/98/58/572119858.db2.gz LOPBFDPNHJCGBR-GXBVYBDKSA-N 1 1 519.686 4.345 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263585717 572119761 /nfs/dbraw/zinc/11/97/61/572119761.db2.gz LOPBFDPNHJCGBR-QHGKVXFQSA-N 1 1 519.686 4.345 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263585718 572119740 /nfs/dbraw/zinc/11/97/40/572119740.db2.gz LOPBFDPNHJCGBR-QLPLNKDJSA-N 1 1 519.686 4.345 50 0 KIAAMO CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585746 572119887 /nfs/dbraw/zinc/11/98/87/572119887.db2.gz LZNWGVMBDSGXCJ-CDLSOSGVSA-N 1 1 566.702 4.465 50 0 KIAAMO CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585747 572119798 /nfs/dbraw/zinc/11/97/98/572119798.db2.gz LZNWGVMBDSGXCJ-IJPIXGRMSA-N 1 1 566.702 4.465 50 0 KIAAMO CCCCN(C)C(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000299755223 572134088 /nfs/dbraw/zinc/13/40/88/572134088.db2.gz BQSQWCPHHAVNQZ-RRPNLBNLSA-N 1 1 507.723 4.142 50 0 KIAAMO CCCCN(C)C(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000299755223 572134085 /nfs/dbraw/zinc/13/40/85/572134085.db2.gz BQSQWCPHHAVNQZ-RRPNLBNLSA-N 1 1 507.723 4.142 50 0 KIAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299765483 572135652 /nfs/dbraw/zinc/13/56/52/572135652.db2.gz BHTVIZDSSKOLJE-SQJMNOBHSA-N 1 1 505.581 4.377 50 0 KIAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(O)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299765483 572135648 /nfs/dbraw/zinc/13/56/48/572135648.db2.gz BHTVIZDSSKOLJE-SQJMNOBHSA-N 1 1 505.581 4.377 50 0 KIAAMO COc1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)NCc3ccncc3)C2)c1OC ZINC000299781082 572136250 /nfs/dbraw/zinc/13/62/50/572136250.db2.gz KYIKMJHNGGNWFN-LITSAYRRSA-N 1 1 575.729 4.347 50 0 KIAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)NCc3ccncc3)C2)c1OC ZINC000299781082 572136247 /nfs/dbraw/zinc/13/62/47/572136247.db2.gz KYIKMJHNGGNWFN-LITSAYRRSA-N 1 1 575.729 4.347 50 0 KIAAMO CCOc1cc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)ccc1OC ZINC000299795061 572137315 /nfs/dbraw/zinc/13/73/15/572137315.db2.gz MCNLATGAGRBMJU-LOSJGSFVSA-N 1 1 525.690 4.068 50 0 KIAAMO CCOc1cc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)ccc1OC ZINC000299795061 572137313 /nfs/dbraw/zinc/13/73/13/572137313.db2.gz MCNLATGAGRBMJU-LOSJGSFVSA-N 1 1 525.690 4.068 50 0 KIAAMO C[N@@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299795088 572137425 /nfs/dbraw/zinc/13/74/25/572137425.db2.gz JRCRSQSBVSXRIG-UHFFFAOYSA-N 1 1 548.684 4.391 50 0 KIAAMO C[N@@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299795914 572137247 /nfs/dbraw/zinc/13/72/47/572137247.db2.gz MKRSAWADCHIXSU-UHFFFAOYSA-N 1 1 548.684 4.391 50 0 KIAAMO Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000299799791 572138001 /nfs/dbraw/zinc/13/80/01/572138001.db2.gz SKSZNQFNVFOYCD-RUZDIDTESA-N 1 1 505.688 4.096 50 0 KIAAMO Cc1nc(C(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)cs1 ZINC000299799792 572138021 /nfs/dbraw/zinc/13/80/21/572138021.db2.gz SKSZNQFNVFOYCD-VWLOTQADSA-N 1 1 505.688 4.096 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000409414358 1064284057 /nfs/dbraw/zinc/28/40/57/1064284057.db2.gz PLZPTKABIIGFOY-JTHBVZDNSA-N 1 1 526.674 4.323 50 0 KIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000409414508 1064284130 /nfs/dbraw/zinc/28/41/30/1064284130.db2.gz LIIFPWGGLYQIHO-HWUUJZMBSA-N 1 1 504.675 4.383 50 0 KIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000409414511 1064277265 /nfs/dbraw/zinc/27/72/65/1064277265.db2.gz LIIFPWGGLYQIHO-WIDNXDAUSA-N 1 1 504.675 4.383 50 0 KIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 ZINC000409414894 1064277681 /nfs/dbraw/zinc/27/76/81/1064277681.db2.gz YCQKKPBBHIYBQH-WXVAWEFUSA-N 1 1 563.695 4.370 50 0 KIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000524730325 1064281860 /nfs/dbraw/zinc/28/18/60/1064281860.db2.gz FLAJGKSDCYFXCO-SWWRHANQSA-N 1 1 604.748 4.338 50 0 KIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000524730326 1064281341 /nfs/dbraw/zinc/28/13/41/1064281341.db2.gz FLAJGKSDCYFXCO-YSGOPFFRSA-N 1 1 604.748 4.338 50 0 KIAAMO CC1(C)CCc2c(cc(OCC(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000524731399 1064282611 /nfs/dbraw/zinc/28/26/11/1064282611.db2.gz WAIMMCUQGJJXCA-VWNXMTODSA-N 1 1 595.696 4.340 50 0 KIAAMO